[RMCProfile-users] Data file problems
Helen Playford - UKRI STFC
helen.playford at stfc.ac.uk
Tue Jun 23 10:28:37 BST 2020
Hi Tristan,
It sounds like you have followed all the correct steps, so that must be frustrating for you!
Could you please send your .tbl and .lst files to helen.playford at stfc.ac.uk and I will have a look to see what is going wrong.
Best wishes,
Helen
-----Original Message-----
From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk> On Behalf Of Tristan Barbier via rmcprofile-users
Sent: 23 June 2020 10:19
To: rmcprofile-users at rmcprofile.org
Cc: Tristan Barbier <tristan.barbier at ensicaen.fr>
Subject: [RMCProfile-users] Data file problems
Dear,
New RMCProfileuser, I am emailing you regarding the data files preparation.
I have well performed all tutorial without any problems occurringbut
when facing my own data, I am stuck at the data2config step.
- GSAS software => Create new refinement
- Add phase => From *.cif (MoS2 4H) => Remove +4:Mo (+4)& -2:S (-2) =>
Add atoms
- Then powder tab => Add New Histogram (I88.gsas) & Instrument parameter
file (inst_xry).prm=> add
- Edit Background => Shifted Chebyshev– 3 terms
- Powpref& then Genles
++> So far experimental data and modelizationlook good through
liveplotoption
- Import/Export => Pubtablewhich generate the TEST_3.TBL file
- Delete the TEST_3.LST file from my working directory
- Under Results tab => Hstdmpfunction (Option L => histogram 1 =>then
exit) generation of new .LST file
Then under my working directory I have *.exp;*.tbland *.lstfiles.
I launch the RMCProfileterminal and type that command:data2config
–noannotate–rmc6f –size[3 3 3] TEST_3.TBL
Thus, Igot the followingerror message:
Forrtl: severe (59): list-directed I/O syntaxerror, unit –5, file
internal List-Directed Read
Of the 4 files which normally have been create I got only the *instone.
I am currently using v6.7.7 RMCProfileversion under both Windows10 and
macOS operating system.
Going through the *.tbland *.lstfiles I have pointed out that on the
first line of each page is mentioned: 1MoS2 while in the examples,
histogram number always separate from the sample name by a space.
I have then triedto add space everywhere, but the problem staysthe same.
I also have triedto use the get_gsas_braggprogramm, but after launched
it, I got after the point 10 000 the following error message:“Sorry,
maximum number of points exceeded”
Did someone already have the same issuesthan I?
If anyone has a goodidea on how to do this better, I would be morethan
happy to have all the advice I can get.
Best Regards,
Tristan
--
L'absence de virus dans ce courrier électronique a été vérifiée par le logiciel antivirus Avast.
https://www.avast.com/antivirus
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Sample ID - Anode and Instrument
BANK 1 18571 1858 CONST 1000.00 0.70000 0 0 STD
770 806 827 767 802 823 826 809 789 794
793 799 780 832 838 738 808 772 792 808
816 812 795 797 772 781 771 756 757 759
819 752 753 806 792 791 739 782 759 730
764 781 784 753 739 761 776 754 761 780
760 745 751 786 771 737 737 733 759 738
727 750 729 715 702 773 756 722 747 777
747 754 747 777 783 793 759 749 752 776
764 763 770 759 729 730 748 766 755 707
761 714 733 766 747 708 710 712 749 744
733 744 727 754 768 719 720 778 757 779
760 766 746 721 706 689 722 723 729 747
720 731 727 679 727 727 710 742 731 762
730 690 699 713 735 697 708 719 718 698
707 725 701 721 725 724 727 723 727 690
732 744 717 728 687 700 706 725 697 706
708 722 736 712 700 708 703 707 717 744
734 712 723 704 720 716 693 703 732 710
694 717 713 640 686 708 674 673 673 670
705 696 692 695 690 661 689 701 685 682
692 657 675 688 684 656 698 708 674 651
703 665 715 725 687 762 678 661 674 656
663 655 637 671 698 680 688 697 692 691
673 684 722 732 687 682 690 699 698 676
684 677 692 688 650 707 656 662 692 694
676 646 683 712 700 676 641 666 656 692
652 696 684 698 694 671 666 665 686 692
676 676 673 676 646 685 677 633 625 624
646 693 675 667 673 665 666 669 688 666
650 642 682 656 671 649 614 662 662 672
648 632 607 616 687 686 685 666 644 671
688 688 640 655 659 675 670 646 678 653
669 633 722 678 639 642 676 654 669 667
655 636 656 655 673 671 597 673 672 655
642 655 657 652 650 687 672 659 644 660
669 664 671 671 648 647 635 643 686 661
647 657 627 666 683 689 613 657 687 668
676 646 661 661 652 651 666 660 638 674
654 641 644 641 629 669 671 662 666 684
676 665 679 667 653 676 666 661 730 657
661 662 690 683 668 692 692 669 670 662
670 664 621 680 667 651 648 653 683 666
665 673 696 705 671 679 669 719 693 714
692 649 685 689 679 692 690 662 686 714
697 702 698 685 742 709 700 731 696 697
699 726 723 702 683 683 711 745 720 764
761 774 784 730 719 758 745 750 753 763
747 748 753 760 724 735 807 793 807 790
807 794 800 809 801 802 811 795 777 841
814 765 864 833 841 836 866 841 850 877
879 882 897 896 862 859 879 890 925 966
923 931 939 967 955 952 960 1001 989 999
985 1042 1011 1035 1044 1086 1065 1062 1042 1092
1146 1134 1144 1136 1165 1136 1170 1186 1261 1256
1287 1277 1294 1301 1313 1385 1360 1335 1391 1453
1470 1493 1569 1554 1607 1633 1597 1627 1697 1779
1718 1759 1854 1841 1867 1918 1993 2065 2034 2099
2119 2180 2276 2341 2389 2479 2482 2637 2713 2794
2844 2912 2964 3115 3279 3315 3511 3617 3711 3715
3911 4008 4146 4370 4589 4653 4780 5058 5162 5390
5774 5991 6057 6245 6613 6788 6981 7349 7719 7913
8022 8224 8622 8948 9313 9317 9686 10046 10143 10339
10450 10681 10804 11017 11122 11097 11259 11188 11295 11043
10844 10841 10752 10562 10348 10170 9707 9484 9363 8977
8709 8412 8030 7652 7606 7229 6865 6596 6233 5973
5755 5525 5225 5006 4824 4603 4171 4213 3931 3699
3619 3349 3346 3121 2948 2877 2773 2680 2589 2543
2405 2384 2220 2133 2121 1987 1933 1994 1837 1777
1743 1668 1633 1564 1499 1459 1454 1418 1368 1336
1305 1280 1238 1234 1245 1142 1097 1156 1133 1094
1022 1057 1044 949 988 1033 965 985 950 841
875 889 887 826 866 830 808 844 828 765
753 804 767 783 799 736 753 747 719 743
702 702 717 700 669 707 709 656 644 648
670 639 650 665 634 599 626 612 626 631
617 622 656 596 584 616 580 565 571 606
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342 383 402 368 380 400 370 391 398 366
395 378 364 350 357 397 378 380 386 378
388 351 371 346 409 341 328 337 379 355
366 368 345 338 345 389 384 373 364 382
357 389 370 348 336 336 369 368 358 370
372 386 362 340 368 386 384 363 355 359
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340 336 360 335 325 355 343 360 343 343
352 354 356 337 349 338 339 351 348 367
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324 334 354 342 356 336 333 344 328 327
322 318 314 331 365 347 328 329 328 328
350 331 334 335 352 347 342 347 353 347
301 326 337 311 312 358 325 325 324 328
323 326 335 336 329 330 318 319 335 358
354 318 330 310 329 326 321 323 327 354
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304 302 306 299 309 328 321 305 303 338
275 339 313 308 306 331 310 301 305 304
317 328 312 320 283 321 299 338 326 293
295 296 320 304 313 313 316 328 330 317
344 308 303 293 308 312 302 310 338 311
295 310 329 315 291 315 331 306 302 303
302 304 305 285 296 307 288 302 292 318
317 312 299 314 324 298 300 313 299 301
300 302 304 327 295 311 296 271 295 296
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288 252 272 264 249 255 253 261 256 260
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223 240 245 225 260 260 233 260 235 248
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252 251 238 229 227 231 225 247 222 227
234 232 231 227 217 224 236 230 222 233
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107 119 115 131 108 119 124 143 139 134
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127 127 135 141 141 154 146 149 152 145
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195 204 209 217 213 218 217 218 221 221
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185 192 172 177 172 169 192 170 155 165
167 165 150 160 156 175 164 152 144 157
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106 97 101 91 99 103 100 95 112 107
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110 101 102 120 90 86 90 83 95 97
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91 95 100 103 110 128 96 100 93 97
86 91 92 99 98 100 99 107 93 104
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103 91 99 97 94 109 108 96 88 96
89 102 112 89 103 88 99 101 99 93
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98 83 101 104 91 87 93 96 102 98
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111 104 87 101 88 112 105 97 93 103
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91 110 93 105 98 100 103 111 109 104
99 91 87 103 93 92 103 94 97 106
84 92 100 94 94 80 96 98 92 104
108 101 93 105 107 115 108 94 93 92
88 103 110 91 89 110 92 123 85 92
100 100 89 88 100 104 99 90 90 96
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102 113 111 110 110 111 101 101 108 107
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104 105 98 94 88 94 98 94 105 95
113 94 109 116 109 115 110 120 113 111
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118 122 116 109 106 120 112 126 95 118
140 114 113 109 102 114 119 111 113 120
144 119 134 109 125 128 109 125 125 130
134 134 134 132 130 148 146 129 122 132
142 151 146 131 164 166 151 143 165 161
156 149 180 183 164 192 190 203 186 181
195 207 218 223 262 251 247 240 244 272
283 311 276 300 336 354 351 372 365 371
402 410 457 492 482 508 509 520 593 628
664 693 695 718 709 771 789 803 793 826
834 866 903 874 830 829 883 879 866 905
905 932 911 889 876 874 932 857 878 874
839 842 873 861 847 838 856 835 854 848
831 785 814 849 832 826 851 814 807 831
812 802 798 817 816 841 801 793 819 840
836 818 825 820 813 810 791 792 813 768
833 816 818 839 798 822 811 813 794 818
797 830 793 788 799 808 888 798 754 790
774 792 798 820 814 810 812 813 814 792
839 781 842 801 773 787 818 786 804 810
796 792 825 773 762 776 803 804 751 770
799 788 776 764 763 790 736 730 712 758
737 735 723 702 723 740 727 717 693 694
705 686 689 677 698 711 682 659 712 651
650 653 653 655 665 656 667 661 619 613
617 622 612 577 622 605 595 581 565 609
599 571 555 583 585 530 550 520 519 569
538 555 501 512 483 482 504 490 505 488
505 522 515 473 523 473 456 473 507 459
432 445 453 472 427 426 469 451 449 423
399 430 409 416 416 434 416 419 398 387
403 412 421 370 380 395 347 405 381 383
384 401 396 357 374 373 364 348 329 364
318 348 342 351 332 325 328 332 324 357
332 312 317 313 317 312 305 304 313 305
305 321 306 318 316 287 290 310 313 287
335 338 307 317 269 295 316 302 288 287
282 253 299 279 265 304 253 283 282 263
251 277 260 246 261 285 269 269 275 259
263 267 256 261 272 225 250 269 263 247
241 231 232 259 279 227 255 239 235 229
246 241 235 241 252 235 251 225 235 229
241 218 212 231 242 225 216 241 241 224
223 236 230 235 216 206 211 232 225 211
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188 202 215 219 205 193 198 191 197 202
211 198 194 189 188 185 193 205 196 172
189 197 195 199 201 204 216 208 203 183
176 185 181 209 183 191 192 185 195 186
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186 202 164 168 172 185 178 181 181 171
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237 235 219 220 215 209 205 207 232 235
252 221 246 229 242 241 242 240 250 252
235 242 238 249 239 232 259 249 243 252
259 266 257 248 257 266 257 248 255 252
253 250 261 270 284 282 251 244 266 273
256 266 263 269 263 249 280 260 235 278
289 293 294 266 265 279 269 306 302 295
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313 310 298 280 282 308 309 334 325 325
331 312 308 329 326 339 340 343 329 349
350 332 347 326 345 337 334 354 367 354
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376 382 360 365 383 386 364 360 373 371
382 403 415 437 413 407 399 409 422 436
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410 416 451 469 454 448 454 448 462 493
484 477 485 495 475 469 490 465 495 505
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629 619 671 634 636 647 660 646 663 668
654 656 651 685 715 654 665 662 692 691
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659 696 696 661 679 658 636 630 663 698
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124 134 137 141 151 152 154 142 142 139
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156 136 161 167 168 159 159 156 144 154
162 128 161 158 142 162 148 145 144 136
145 137 137 151 159 148 151 147 145 147
153 149 155 137 151 160 159 159 160 163
161 161 149 158 161 164 157 173 192 167
147 171 177 147 162 160 161 170 155 156
158 166 175 161 160 156 166 164 166 185
177 186 168 203 168 192 166 186 168 168
174 164 159 167 177 203 172 193 197 187
195 191 187 199 183 187 197 196 209 221
187 200 224 219 212 218 218 226 214 233
225 240 244 242 258 255 239 237 240 261
258 254 263 275 284 290 286 275 287 317
328 294 329 308 335 323 325 333 324 341
341 343 378 371 372 369 380 402 375 369
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355 352 331 312 310 329 327 323 301 301
294 314 311 298 271 286 282 297 271 261
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190 202 186 198 189 175 170 197 175 190
164 163 166 157 170 180 164 175 160 158
153 155 152 159 168 163 142 156 157 143
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150 140 145 132 141 140 141 140 138 134
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90 115 116 122 104 121 124 116 118 117
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106 121 126 127 114 120 118 122 127 132
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126 117 139 131 104 128 128 135 138 131
119 125 140 125 131 143 144 134 113 139
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59 70 52 54 43 44 49 54 47 54
52 52 55 50 55 56 55 49 55 55
43 63 55 53 60 61 53 48 48 57
58 61 52 58 47 58 52 43 58 58
58 63 48 51 55 50 59 61 52 55
40 50 52 57 59 62 62 61 49 49
43 57 59 60 55 53 52 49 50 50
63 60 58 64 70 59 60 57 50 53
75 65 67 56 73 68 63 65 66 62
54 59 61 55 76 65 65 59 55 68
70 72 65 59 54 55 55 60 58 62
59 63 59 65 62 64 69 62 59 58
64 56 63 62 72 59 56 56 70 55
63 67 62 63 67 67 79 71 54 71
67 61 65 64 72 67 70 64 68 74
72 66 62 73 61 66 78 60 66 61
59 73 68 67 72 66 76 73 64 72
72 75 73 76 86 71 76 78 71 76
84 78 76 81 85 89 66 62 86 88
86 81 73 74 82 84 81 93 88 85
85 89 86 85 98 82 79 71 84 96
93 99 94 83 100 96 86 99 100 90
103 89 102 91 95 101 97 89 89 96
91 91 88 104 104 96 103 102 107 117
117 104 104 104 108 117 115 131 123 111
102 102 95 98 111 100 109 114 115 105
120 96 118 118 122 92 113 123 113 108
105 107 110 117 121 120 116 124 111 109
110 112 112 107 115 116 113 127 114 117
117 107 121 117 121 114 129 120 115 105
104 105 117 120 112 114 112 121 127 93
90 123 112 114 103 120 111 108 115 117
109 100 105 112 98 110 129 113 93 102
102 109 90 91 94 100 109 100 99 103
93 98 92 105 95 108 94 91 100 103
106 106 102 102 96 90 91 92 93 99
95 93 101 101 84 80 90 94 98 106
79 83 88 91 88 85 99 98 85 91
94 86 78 94 85 85 84 91 73 78
78 84 106 78 88 85 72 81 83 89
71 81 73 79 73 88 88 85 78 82
82 81 82 84 70 67 82 87 82 75
74 86 76 82 82 90 91 73 76 95
88 84 71 87 78 79 73 84 69 71
80 82 88 81 78 77 87 77 86 82
84 77 79 76 81 83 85 72 63 74
78 63 83 84 77 78 83 76 69 74
64 58 66 73 73 76 65 63 74 60
83 79 66 72 72 71 73 78 79 69
84 72 69 69 71 71 72 77 67 72
70 67 70 70 70 73 78 74 67 62
56 75 77 77 77 74 64 63 63 66
79 73 67 64 65 72 71 57 84 75
77 85 66 58 66 68 68 75 68 71
67 57 69 62 76 79 70 72 72 72
74 76 70 65 80 75 69 88 76 65
70 73 67 70 66 62 70 65 67 76
62 88 71 74 65 65 67 73 82 79
61 76 72 82 73 59 76 77 67 63
69 60 81 87 78 72 68 76 74 73
67 79 76 70 73 66 71 71 74 68
70 72 79 86 81 77 79 68 77 77
62 71 69 75 65 72 67 74 80 84
76 81 87 62 63 71 87 76 78 73
77 83 85 80 73 78 88 81 88 68
77 70 80 74 87 85 82 75 90 81
76 80 88 90 87 76 75 87 91 82
78 82 80 81 83 94 95 78 85 82
77 70 80 80 80 84 87 81 87 89
92 87 104 88 105 86 81 90 92 102
89 88 98 92 97 93 99 91 99 92
95 93 68 91 86 87 85 90 92 91
93 83 97 91 87 91 96 106 94 103
93 91 93 94 90 108 105 87 109 92
101 89 100 118 105 98 107 98 101 100
101 122 115 97 114 114 107 108 108 89
89 95 105 109 104 115 112 96 95 118
82 102 119 120 104 122 98 111 119 115
109 121 111 112 97 118 121 124 113 114
108 117 121 109 106 99 113 112 117 116
112 114 107 118 125 127 110 115 119 129
129 115 108 118 95 120 99 113 120 122
117 117 115 119 116 110 104 117 112 106
112 115 120 106 103 105 113 116 113 116
115 111 120 115 101 97 105 109 112 123
112 106 105 110 102 93 104 110 102 99
117 92 126 103 116 99 109 110 96 105
107 99 100 107 109 92 112 114 102 95
99 95 114 120 104 108 102 103 101 93
110 91 91 79 100 106 91 96 104 108
89 88 93 85 83 94 90 94 98 89
96 90 88 100 95 96 93 99 88 86
87 93 87 83 98 93 88 87 89 90
84 75 79 95 79 84 91 80 84 81
95 87 87 95 90 84 74 84 83 76
73 84 91 82 85 77 66 67 81 82
89 84 77 80 83 80 81 72 85 83
65 85 60 73 67 72 75 78 74 60
71 65 75 66 77 65 65 68 76 72
77 71 64 80 86 80 75 64 72 75
74 62 76 80 81 81 78 81 68 61
72 71 77 74 66 67 66 69 64 64
69 75 70 69 63 68 70 71 71 63
63 55 54 74 80 77 73 74 77 71
60 51 63 60 65 59 71 60 49 66
64 68 64 72 80 78 68 58 66 62
64 59 75 56 73 62 57 61 56 55
60 55 55 58 60 65 54 69 50 58
64 62 56 66 65 65 69 72 68 51
62 64 55 59 61 61 58 60 61 60
59 53 53 62 61 61 48 54 57 62
64 58 70 74 60 60 64 65 57 55
77 58 57 56 61 65 67 67 57 59
63 65 58 57 59 57 65 55 64 63
59 69 67 52 60 56 56 64 60 65
64 51 53 60 59 63 49 52 68 58
48 51 53 53 53 60 58 58 57 62
54 64 63 63 59 62 51 43 52 58
57 54 47 47 54 67 56 51 60 67
61 59 63 54 57 56 55 46 43 72
53 50 60 67 61 50 53 61 68 64
64 59 61 53 53 50 62 68 63 60
60 61 59 50 55 50 53 48 52 49
64 60 59 52 49 44 55 63 66 60
55 66 61 62 59 47 62 52 59 56
59 55 52 54 59 62 58 58 56 47
59 56 55 50 63 57 53 53 59 64
59 64 63 55 53 68 57 57 64 55
63 66 63 50 55 59 67 59 62 56
51 57 52 51 50 60 58 63 62 58
70 76 59 51 66 62 58 60 49 64
67 64 57 56 66 60 60 61 59 61
49 63 61 56 61 61 50 69 68 55
59 63 55 42 53 59 44 58 57 56
59 53 67 53 53 61 66 70 69 69
70 62 46 89 67 59 63 61 53 55
58 57 54 64 56 71 60 53 54 56
70 58 45 57 58 60 66 61 55 59
60 62 69 54 69 71 54 55 59 63
64 67 66 68 70 59 68 67 61 59
59 60 56 60 61 71 60 51 65 62
60 53 56 69 70 56 72 68 68 65
67 67 67 60 60 78 58 63 57 78
71 61 61 62 65 72 72 75 65 69
72 67 59 61 71 71 64 61 58 64
68 81 79 71 72 59 75 83 64 74
65 48 71 69 77 80 62 71 73 63
70 80 74 57 63 70 63 76 70 64
68 74 71 64 66 80 76 74 89 69
71 72 63 70 69 66 63 61 72 79
68 64 77 74 69 78 72 64 82 73
70 80 87 77 69 66 67 64 74 80
78 77 62 70 77 62 66 72 65 64
66 78 65 64 88 68 64 57 72 72
71 76 87 73 74 79 78 69 68 81
64 69 75 88 62 64 63 69 81 81
86 77 66 64 61 62 76 67 74 81
77 60 74 73 71 68 75 72 64 72
70 74 69 72 77 68 81 68 62 80
80 70 63 71 82 82 73 69 62 76
72 70 79 76 72 66 66 80 87 79
67 75 65 81 64 95 77 78 81 70
76 80 79 71 73 79 81 91 78 62
73 77 66 55 64 63 74 77 73 75
75 71 84 76 76 83 83 80 63 67
74 77 74 75 64 68 64 72 75 60
74 62 59 74 82 76 84 81 64 56
56 69 66 64 83 67 77 74 85 90
78 73 80 86 75 67 68 74 67 82
70 84 76 78 63 75 78 78 74 65
77 83 76 64 75 86 74 85 71 79
75 68 69 65 72 72 74 79 68 68
67 72 78 80 84 80 93 83 75 80
86 82 80 84 91 93 66 85 78 88
85 84 79 75 87 76 69 81 78 72
81 78 76 74 73 70 70 73 79 80
80 77 73 89 93 79 76 80 86 94
70 86 86 73 69 71 74 71 73 69
87 90 90 85 80 90 88 88 81 78
86 80 79 84 78 78 72 81 89 100
83 80 83 83 81 79 78 89 87 88
97 87 78 67 96 90 87 91 81 75
80 81 89 74 72 84 75 75 96 77
87 78 76 70 80 81 93 85 82 84
88 83 86 74 80 90 90 94 82 81
82 86 85 85 74 80 82 88 72 85
95 82 86 86 88 74 74 79 82 79
79 86 92 93 97 87 84 88 90 84
76 72 79 82 75 70 81 75 87 89
75 89 76 83 72 74 78 79 79 82
84 80 68 83 89 86 74 93 83 91
71 72 85 85 80 75 60 70 64 66
73 71 79 77 79 83 79 85 75 81
73 74 82 76 80 85 71 84 95 74
86 80 71 69 71 70 73 63 60 75
78 72 73 69 74 80 82 69 74 76
76 78 73 65 79 69 87 64 83 70
87 69 58 60 68 68 64 67 72 68
79 73 72 65 72 64 66 63 64 72
71 66 76 71 72 78 74 72 64 69
71 58 57 72 81 64 61 64 76 68
75 64 63 65 61 75 75 65 72 68
69 64 78 69 74 76 60 65 63 63
66 62 72 63 56 68 69 58 55 59
69 66 71 67 64 61 62 57 60 60
63 57 53 63 57 58 58 65 64 59
66 62 68 58 48 64 58 53 57 63
60 56 59 71 69 55 60 56 64 62
62 60 55 56 51 64 51 51 64 56
56 53 75 61 54 61 55 58 62 61
53 54 54 58 60 53 59 59 50 53
49 58 56 52 53 52 53 66 62 63
52 58 64 57 56 59 55 55 53 53
69 71 51 46 55 68 58 63 62 54
52 57 48 49 54 49 54 54 54 61
56 60 48 51 56 50 48 57 63 62
53 52 52 58 57 49 73 54 51 54
56 51 52 56 56 56 56 55 47 49
59 48 45 58 44 52 54 56 53 42
50 55 55 66 53 48 42 66 52 54
55 52 47 55 52 53 45 38 54 51
52 39 57 49 52 47 60 57 50 47
47 56 59 51 47 56 51 58 55 42
52 46 61 47 45 44 46 47 43 46
50 47 45 49 53 50 54 52 52 47
49 55 46 45 47 43 49 53 39 53
52 53 52 66 56 44 43 43 49 46
50 49 47 44 55 43 44 44 41 42
46 53 51 49 43 47 49 52 56 44
39 45 40 37 41 44 45 52 53 55
48 56 60 40 63 42 36 40 46 51
52 46 44 47 50 48 47 48 41 52
53 41 45 47 46 52 43 43 50 53
49 41 46 54 50 48 46 48 43 45
48 44 42 46 35 40 48 52 48 59
65 43 41 47 40 45 44 42 45 55
54 49 50 46 58 39 45 57 52 44
48 46 43 43 38 45 55 47 52 54
61 66 51 53 57 53 46 41 52 52
40 41 42 45 52 48 48 47 55 45
46 60 56 52 46 47 45 39 42 50
48 57 43 50 50 44 48 49 47 48
38 42 48 45 47 47 53 48 54 49
42 51 46 44 45 42 41 41 44 48
44 63 39 39 50 55 52 48 49 46
45 50 43 55 53 48 38 29 54 64
51 39 42 51 57 47 57 51 41 42
48 49 41 47 46 52 49 54 51 54
46 41 54 40 43 45 41 34 47 41
35 37 45 45 45 48 51 46 36 55
53 53 57 57 51 53 45 42 50 48
54 48 51 45 46 38 46 50 39 42
58 51 53 53 53 49 54 50 51 44
50 42 40 51 46 46 41 43 52 45
44 46 49 44 45 41 53 43 46 49
52 44 53 46 39 49 51 37 42 41
51 48 48 54 48 48 51 46 45 52
56 48 51 50 49 49 53 50 56 52
50 45 43 53 48 44 48 47 53 43
44 40 61 54 58 48 42 58 43 54
48 43 43 51 52 45 46 48 65 41
56 46 62 51 55 50 47 52 52 56
55 55 52 48 37 57 55 52 47 43
41 47 47 47 47 45 41 48 46 55
47 58 41 49 51 50 49 41 49 52
53 53 51 52 47 47 57 44 44 61
61 53 56 60 55 50 45 50 52 42
51 37 47 49 44 60 51 55 51 42
48 57 47 53 41 66 57 37 58 55
60 53 43 49 50 49 45 49 57 57
51 43 62 61 52 50 47 55 58 55
57 52 41 45 52 50 50 55 46 55
50 47 51 49 51 49 49 48 55 52
39 47 64 44 47 57 50 46 51 48
51 57 49 50 54 46 55 56 64 60
52 51 51 52 57 64 64 52 53 64
59 56 61 65 55 44 56 58 54 61
61 56 55 61 65 56 58 67 68 68
52 48 47 51 51 67 65 62 63 59
65 53 50 76 62 49 63 57 49 58
56 62 63 56 56 62 65 53 54 56
47 58 61 53 65 66 58 61 75 74
78 63 63 71 75 65 80 67 63 71
59 69 75 74 69 75 71 72 74 78
69 75 78 69 85 72 81 75 58 67
63 80 67 74 87 73 64 76 93 77
76 81 86 71 67 78 69 83 93 67
82 65 82 78 71 76 84 90 87 86
81 74 76 89 79 75 80 91 90 82
92 91 98 85 76 72 89 85 103 92
95 89 80 104 87 68 91 102 97 100
114 116 103 103 100 93 88 97 101 117
105 103 109 102 106 102 98 108 110 111
105 79 98 100 101 100 105 107 106 113
104 112 105 100 95 90 103 104 103 106
103 107 98 99 102 101 94 113 105 103
94 107 98 96 100 104 105 115 103 91
87 82 103 103 91 95 85 83 101 98
89 80 91 86 91 97 96 87 91 88
81 98 82 88 87 97 84 87 77 74
83 77 78 79 76 80 90 80 79 76
85 74 86 80 91 95 88 87 78 75
82 78 87 95 74 79 90 94 68 74
76 79 84 83 88 83 69 71 80 64
68 71 74 78 87 75 69 81 82 77
80 68 81 65 79 85 79 84 82 76
77 79 76 75 68 85 72 79 69 76
81 71 76 72 77 73 68 66 72 72
69 59 70 65 77 70 57 79 69 71
58 61 62 77 80 67 65 71 70 74
62 65 79 90 80 82 85 76 76 83
72 73 70 72 82 79 82 86 78 80
92 68 64 82 87 67 66 73 80 70
77 93 86 84 83 82 90 90 81 88
81 73 82 81 81 77 103 83 87 73
77 82 79 88 79 75 89 98 98 90
85 89 67 84 91 93 82 76 73 78
76 80 92 85 74 95 81 86 91 87
101 80 77 92 88 88 82 87 88 83
100 79 101 82 95 96 96 90 83 80
76 79 78 92 84 104 90 97 81 94
95 88 81 89 101 96 96 100 93 100
105 104 101 98 81 110 100 98 95 85
86 89 84 81 85 95 91 92 106 91
89 87 86 85 90 100 85 87 91 85
75 80 75 86 101 83 81 93 92 97
91 77 77 89 90 75 85 83 94 86
76 77 81 83 87 77 83 82 91 89
79 69 75 89 83 74 61 87 86 93
84 82 81 80 73 68 80 88 69 81
78 71 77 65 69 78 74 86 88 84
77 74 81 78 73 73 69 76 79 61
86 79 76 74 72 74 68 70 79 73
75 97 102 73 75 78 80 75 69 67
64 76 65 64 61 68 79 71 73 71
75 67 78 75 65 76 92 62 81 83
75 54 76 82 69 64 78 74 68 76
71 63 60 67 73 72 73 72 73 65
76 67 67 73 70 72 63 69 68 65
61 64 77 66 80 84 68 67 66 76
84 87 78 65 61 87 74 72 74 82
73 64 73 57 68 71 65 67 69 67
70 61 71 79 67 62 68 66 71 63
53 60 76 65 67 68 64 87 65 91
72 67 73 79 75 73 77 75 63 72
78 67 65 58 77 67 53 65 79 68
72 80 80 78 74 72 53 63 85 65
77 73 76 73 84 74 61 66 73 62
66 61 67 60 80 68 60 64 61 60
62 67 69 66 69 67 62 71 69 70
69 55 64 69 75 73 80 75 74 61
57 63 66 62 70 74 82 75 75 72
73 74 69 52 59 71 81 79 76 67
83 62 62 64 59 69 73 61 60 68
70 70 60 67 65 65 67 79 66 74
69 70 71 70 69 66 67 59 74 68
73 67 73 57 76 76 61 57 56 66
64 67 71 60 61 67 71 69 62 61
66 69 58 63 60 68 65 60 71 72
52 67 57 70 81 68 58 64 71 66
61 67 76 76 68 73 66 59 70 60
70 53 61 69 69 64 66 59 61 71
68 60 62 56 66 74 62 60 57 63
71 70 60 68 79 85 77 74 74 68
68 67 56 61 61 68 73 61 67 62
67 73 59 71 68 67 65 73 73 63
65 76 66 73 73 57 59 72 62 65
76 68 48 62 75 68 73 73 69 64
64 66 64 58 59 64 68 62 63 68
72 71 65 66 77 70 69 64 67 61
59 60 68 71 78 69 63 59 60 66
67 64 69 66 71 65 60 65 66 71
63 69 60 59 66 65 68 71 54 73
65 70 58 77 74 64 57 59 67 65
68 72 64 69 51 67 68 71 60 60
56 63 57 62 61 66 68 56 71 53
64 65 66 73 68 73 64 65 61 60
62 70 69 64 64 71 80 72 55 67
68 68 63 65 62 68 67 63 75 55
66 77 65 57 70 71 66 71 74 76
83 77 62 57 69 67 76 67 65 67
71 61 69 69 68 72 73 75 66 65
78 83 66 67 71 72 66 67 78 76
74 71 69 68 62 61 74 56 67 64
61 73 72 69 59 54 58 64 65 58
70 78 74 53 68 61 64 66 66 58
72 73 60 59 53 63 65 65 86 69
65 70 58 64 63 60 65 62 60 67
66 67 62 82 67 74 76 75 70 59
63 67 62 67 75 77 66 61 77 61
72 68 66 75 66 67 63 63 68 58
67 76 71 53 60 78 85 75 69 67
60 69 71 66 81 61 85 79 58 65
55 61 63 75 64 65 67 68 73 63
62 80 81 68 78 73 62 67 78 80
65 62 69 78 83 75 63 60 65 67
82 71 56 66 80 73 78 75 66 57
59 77 67 76 61 72 77 54 68 74
73 72 68 68 73 75 63 74 67 61
74 71 78 72 66 64 64 64 56 76
70 71 64 68 75 74 58 67 75 65
67 66 66 71 73 66 75 67 66 66
65 63 58 66 60 74 62 63 62 69
77 81 74 67 73 74 78 60 60 72
64 72 61 62 63 67 64 63 67 62
76 62 70 75 61 64 69 70 65 75
75 70 69 63 75 69 71 66 77 76
73 80 68 70 67 63 65 79 69 75
63 71 64 74 84 70 69 65 63 63
62 63 74 67 65 63 60 64 63 73
60 54 68 69 67 70 76 75 63 80
66 65 69 61 64 57 65 72 65 62
69 72 74 67 75 73 81 70 69 54
61 71 69 59 72 67 68 75 80 66
63 75 77 77 84 73 73 62 76 65
56 64 69 76 69 71 62 74 71 67
66 65 75 81 71 66 54 61 80 73
70 74 65 66 74 72 58 63 71 70
73 70 63 64 60 55 61 56 67 81
64 69 62 65 61 68 64 63 57 61
64 71 67 77 69 62 78 67 67 72
75 72 66 71 65 66 71 73 66 69
65 79 72 61 61 53 58 74 66 58
59 57 61 74 65 65 78 68 70 76
78 61 63 74 72 71 65 64 73 55
92 80 69 61 79 61 61 62 64 63
67 67 63 59 70 69 65 65 69 63
67 66 68 61 56 72 68 66 70 82
60 61 71 64 69 67 71 64 58 62
65 56 60 62 51 64 80 76 81 71
73 69 66 67 63 55 63 67 57 58
66 76 71 61 66 66 60 59 75 70
60 66 63 60 71 69 52 58 71 78
68 67 55 60 60 63 63 69 71 69
64 65 67 74 66 67 61 60 50 58
64 60 66 61 67 62 64 68 59 59
61 63 64 71 75 68 60 59 65 73
76 58 66 69 62 73 54 62 54 60
65 70 75 62 69 70 70 65 74 76
72 64 57 65 61 50 64 72 72 76
78 70 54 70 69 69 66 74 68 73
72 71 69 65 67 66 59 62 68 82
60 67 72 65 81 78 73 65 63 73
72 86 55 57 62 60 76 69 66 72
71 66 61 59 69 74 65 68 59 60
73 80 68 61 58 65 58 60 68 59
61 59 69 59 69 57 70 63 65 71
70 71 71 69 71 69 77 75 55 60
75 59 64 62 71 79 80 67 59 67
65 65 65 66 62 70 74 82 60 60
67 62 66 63 62 75 68 70 59 70
72 69 76 70 73 70 67 70 71 65
62 55 61 63 60 71 80 51 78 66
68 65 65 68 72 71 69 59 64 75
66 58 76 63 69 84 72 63 67 67
57 61 72 69 58 62 68 78 69 84
66 60 60 68 75 66 58 61 61 74
72 70 65 58 65 64 76 66 68 65
62 59 63 68 53 72 56 67 72 73
77 71 79 74 67 68 65 64 67 68
70 56 51 64 81 69 60 67 54 75
84 74 66 73 71 71 58 76 60 74
58 76 66 67 73 62 78 66 56 64
80 71 70 54 64 67 83 67 68 65
69 75 64 63 71 58 61 74 73 72
64 60 60 60 68 65 57 66 65 72
70 72 62 54 71 61 68 66 62 70
64 62 64 63 68 80 67 55 67 68
68 61 69 64 69 67 75 69 57 58
67 73 79 71 63 49 70 54 49 58
71 71 64 67 63 61 74 72 62 81
65 62 70 66 62 76 83 73 60 64
59 66 64 70 59 71 69 72 71 57
59 62 70 59 66 71 67 66 67 68
78 78 55 68 58 64 66 69 70 59
62 69 71 75 73 68 65 64 69 62
60 56 55 67 67 58 65 60 73 69
65 53 58 65 57 54 59 56 63 61
63 67 68 58 68 73 73 66 68 65
65 75 70 69 70 61 61 61 64 76
63 57 67 63 63 61 71 62 56 62
61 52 61 58 60 69 64 58 52 62
60 60 63 70 75 71 60 53 58 65
59 61 64 64 76 70 75 60 57 60
64 70 67 58 65 70 72 66 85 82
63 72 70 75 65 61 57 62 68 73
63 53 51 73 68 56 70 69 64 76
73 68 71 76 77 70 60 68 57 68
65 67 63 68 68 80 65 64 67 71
61 64 67 61 63 69 65 66 66 72
73 69 64 65 67 51 63 65 64 73
66 77 69 69 59 78 61 68 71 61
57 71 55 67 81 61 60 66 57 61
70 70 67 71 63 58 63 57 54 53
64 55 55 47 66 83 79 63 63 62
67 62 60 69 71 51 56 54 64 55
63 65 60 65 56 61 65 56 55 70
67 68 77 64 62 63 58 62 59 58
61 62 65 60 82 66 66 67 75 70
66 59 66 60 61 53 60 60 75 58
70 59 63 75 64 56 70 66 64 62
60 59 59 64 64 67 71 49 51 55
60 49 57 60 62 56 66 66 74 68
79 61 59 61 60 68 68 58 56 65
60 69 65 51 56 61 63 71 75 64
64 68 64 62 67 62 68 61 60 47
56 69 60 59 60 63 72 67 74 69
65 61 58 59 62 60 56 64 56 46
60 68 57 55 60 54 58 61 69 53
67 60 58 60 62 56 58 68 63 61
67 66 60 68 59 63 68 76 72 68
58 60 63 62 60 61 63 65 65 61
58 65 63 59 72 62 69 50 56 47
61 64 75 70 66 62 60 58 81 50
56 67 70 67 63 57 61 62 64 56
58 58 49 72 46 60 64 71 63 69
65 68 74 59 57 54 71 55 60 56
58 68 65 52 63 72 73 66 58 58
62 60 69 66 72 43 63 67 65 62
65 60 60 62 60 65 68 64 71 75
68 59 60 63 76 87 67 62 68 66
61 61 55 51 51 65 58 52 59 67
79 63 59 59 64 67 66 57 60 66
70 58 56 69 58 60 63 61 63 60
67 64 60 61 53 84 66 64 77 64
62 55 51 56 65 67 67 61 55 63
66 50 47 56 56 68 61 52 59 61
59 68 78 71 55 57 70 54 54 80
57 65 68 70 60 59 55 65 62 58
59 61 66 69 58 53 65 60 67 56
65 77 61 66 62 61 72 65 83 65
56 54 53 57 62 61 60 61 66 66
65 61 71 66 52 54 54 70 63 60
52 57 68 66 61 67 54 65 58 63
48 57 50 52 58 63 52 63 70 61
68 64 59 66 50 61 58 59 62 65
64 52 54 60 55 61 57 56 72 58
52 67 62 67 65 69 69 56 56 60
58 56 57 67 55 49 54 73 66 59
62 63 59 63 59 67 62 70 67 65
63 72 68 54 64 61 68 68 66 56
66 69 57 55 56 42 55 63 65 62
75 67 61 65 60 68 74 49 66 68
74 60 58 59 59 56 57 65 57 54
74 65 64 69 62 51 62 63 62 68
63 67 59 47 59 65 69 67 67 59
69 60 69 65 68 54 71 74 63 63
64 58 59 67 59 54 69 62 56 62
61 67 60 56 56 70 75 64 67 60
67 65 66 69 56 68 60 61 70 65
68 61 52 53 65 71 83 65 59 51
55 55 68 66 68 66 71 64 64 67
53 71 62 80 62 71 70 63 58 61
63 66 72 72 70 62 75 61 66 49
58 72 73 76 74 69 63 56 55 72
75 77 58 60 54 58 52 60 59 62
67 74 74 80 68 57 69 62 64 68
60 80 68 62 77 71 72 73 68 76
63 73 63 62 77 55 77 66 70 63
62 73 70 79 76 72 69 72 66 51
62 73 67 75 75 64 60 58 62 70
74 74 65 71 60 80 65 68 60 75
73 72 65 74 83 70 75 76 69 79
89 68 62 73 70 73 69 61 63 65
57 56 56 68 81 53 71 72 78 66
72 71 75 70 68 68 71 73 88 75
75 71 91 67 85 80 79 72 67 70
73 77 78 62 81 73 67 70 85 74
81 68 76 75 63 63 78 83 78 74
72 73 58 74 79 70 68 67 68 67
67 69 59 76 73 64 82 85 84 75
79 71 73 69 81 85 69 82 70 65
70 86 69 79 62 71 70 73 73 75
65 71 72 76 80 71 84 89 81 89
80 85 67 80 81 68 84 75 78 85
77 71 85 80 71 71 70 79 80 73
81 67 75 72 64 75 72 75 68 85
80 72 76 82 87 80 79 86 91 86
76 70 82 93 77 74 85 72 78 86
72 75 91 81 78 79 74 84 77 70
71 77 83 87 87 87 82 75 76 80
71 69 76 72 73 88 69 89 97 94
79 82 88 86 70 75 79 75 81 75
72 78 71 76 90 83 81 83 84 83
82 74 81 68 79 81 79 78 78 82
81 78 71 78 85 77 90 72 78 76
83 85 77 94 85 85 73 77 79 75
75 84 83 75 86 84 68 85 90 68
71 83 79 76 64 73 75 67 81 65
82 71 72 90 88 75 86 80 78 79
73 75 84 83 84 70 84 81 74 62
79 76 77 76 72 68 84 76 69 77
69 64 75 62 69 76 75 85 85 71
63 71 72 72 74 68 70 74 65 67
82 81 80 75 71 66 73 65 72 60
68 78 82 78 81 76 87 83 72 70
76 74 63 76 77 87 87 103 76 67
66 69 68 77 88 76 75 72 70 72
82 83 88 79 74 68 64 70 71 68
69 70 74 77 83 77 71 69 70 54
72 82 68 60 67 69 68 69 82 79
80 69 83 72 67 69 74 74 69 77
75 72 66 69 70 58 70 67 82 69
73 84 78 72 72 82 78 72 78 80
85 64 70 70 69 91 58 53 58 76
79 66 62 66 58 61 70 74 76 69
80 75 75 67 57 60 79 71 78 85
83 83 76 58 77 66 69 73 62 76
75 70 70 77 81 73 71 72 79 76
74 66 74 75 68 70 69 74 73 78
78 68 69 65 62 71 62 81 68 74
68 65 69 66 58 68 68 82 68 52
59 61 75 72 81 76 64 67 72 74
73 77 75 80 70 67 75 68 70 60
64 67 71 71 69 79 73 75 74 58
80 78 61 73 59 62 69 64 68 76
70 67 82 75 76 73 70 62 71 77
73 65 67 67 61 69 68 56 69 75
65 68 69 65 67 75 76 74 79 66
56 65 79 81 69 79 60 77 60 71
66 66 80 65 60 63 74 76 69 67
67 71 70 68 59 67 69 70 69 74
69 70 71 69 76 67 67 71 63 68
73 75 77 75 72 76 82 75 73 81
80 73 64 67 70 56 86 79 69 66
69 66 72 73 75 64 72 78 84 58
77 64 59 71 78 76 70 66 64 71
71 65 69 75 66 63 68 87 76 76
84 73 62 58 67 82 70 62 73 60
60 72 70 72 71 76 77 64 69 72
68 61 72 76 71 83 71 74 69 63
67 76 72 70 68 71 68 65 74 70
79 70 80 74 75 83 77 73 73 66
59 79 74 83 83 78 57 76 80 67
63 70 65 65 75 67 62 64 74 63
62 64 71 77 73 80 82 87 89 72
70 59 62 72 68 64 71 68 69 58
56 66 70 70 79 80 60 63 68 65
55 68 59 63 66 69 60 73 73 72
62 75 75 56 73 71 58 73 64 57
79 72 76 83 71 76 72 62 60 75
69 74 80 63 71 66 76 79 80 62
69 91 70 70 71 68 66 71 77 73
77 73 65 76 74 61 60 75 81 74
54 66 70 57 69 73 79 80 66 64
70 61 67 81 69 76 78 68 68 61
73 66 60 73 74 71 68 77 84 68
68 77 79 65 63 83 71 65 59 67
74
-------------- next part --------------
123456789012345678901234567890123456789012345678901234567890
INS BANK 1
INS HTYPE PXCR
INS 1 IRAD 3
INS 1 ICONS 1.540500 1.544300 0.0 0 0.5 0 0.5
INS 1I HEAD DUMMY INCIDENT SPECTRUM FOR X-RAY DIFFRACTOMETER
INS 1I ITYP 0 0.0000 180.0000 1
INS 1PRCF1 2 6 0.01
INS 1PRCF11 2.000000E+00 -2.000000E+00 5.000000E+00 0.100000E+01
INS 1PRCF12 0.100000E+01 0.000000E+00
INS 1PRCF2 3 8 0.01
INS 1PRCF21 2.000000E+00 -2.000000E+00 5.000000E+00 0.100000E+00
INS 1PRCF22 0.000000E+00 0.000000E+00 0.150000E-01 0.150000E-01
INS 1PRCF3 4 12 0.01
INS 1PRCF31 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00
INS 1PRCF32 0.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00
INS 1PRCF33 0.000000E+00 0.150000E-01 0.150000E-01 0.750000E+00
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#(C) 2016 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved.
data_31067-ICSD
_database_code_ICSD 31067
_audit_creation_date 1980-01-01
_audit_update_record 2013-02-01
_chemical_name_systematic 'Molybdenum(IV) sulfide'
_chemical_formula_structural 'Mo S2'
_chemical_formula_sum 'Mo1 S2'
_chemical_name_structure_type MoS2(4H)
_chemical_name_mineral 'Molybdenite 2H'
_exptl_crystal_density_diffrn 4.97
_publ_section_title 'Ueber die Kristallstruktur des Molybdaenglanzes.'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
; 1925 61 92 99 ZEKGAX
loop_
_publ_author_name
'Hassel, O.'
_cell_length_a 3.14
_cell_length_b 3.14
_cell_length_c 12.53
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 106.99
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P 63/m m c'
_symmetry_Int_Tables_number 194
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, x-y, -z+1/2'
2 '-x+y, y, -z+1/2'
3 '-y, -x, -z+1/2'
4 '-x+y, -x, -z+1/2'
5 '-y, x-y, -z+1/2'
6 'x, y, -z+1/2'
7 '-x, -x+y, z+1/2'
8 'x-y, -y, z+1/2'
9 'y, x, z+1/2'
10 'x-y, x, z+1/2'
11 'y, -x+y, z+1/2'
12 '-x, -y, z+1/2'
13 '-x, -x+y, -z'
14 'x-y, -y, -z'
15 'y, x, -z'
16 'x-y, x, -z'
17 'y, -x+y, -z'
18 '-x, -y, -z'
19 'x, x-y, z'
20 '-x+y, y, z'
21 '-y, -x, z'
22 '-x+y, -x, z'
23 '-y, x-y, z'
24 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo4+ 4
S2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Mo1 Mo4+ 2 c 0.3333 0.6667 0.25 . 1. 0
S1 S2- 4 f 0.3333 0.6667 0.625 . 1. 0
#End of TTdata_31067-ICSD
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VERSION 6
DESCR MoS2
HSTRY 1 created readexp.tcl 1251 2020-06-23T10:24:46
HSTRY 2 EXPTOOL Win32 Jun 23 10:25:37 2020 P P
HSTRY 3 EXPTOOL Win32 Jun 23 10:25:45 2020 P A
HSTRY 4 EXPTOOL Win32 Jun 23 10:28:14 2020 P H
HSTRY 5 EXPGUI 1251 1251 (4 changes) -- 06/23/20 10:30:01
HSTRY 6 POWPREF Win32 Jun 23 10:30:02 2020
HSTRY 7 GENLES Win32 Jun 23 10:30:26 2020 Sdsq= 0.126E+07 S/E= 0.248E-04
DSGL CDAT1 DRAD ARAD NOFO
GNLS RUN on Jun 23 10:30:26 2020 Total cycles run 2 0.12638E+07
GNLS CDAT1 MXCY 3
GNLS SHFTS 0.00 0.00
AFAC S 6.9053 1.4679 5.203422.2151 1.4379 .2536 1.586356.1720 .8669 RHF
AFAC S_ 32.06 .2847 .53
AFAC S_SIZ 1.47 1.27 1.85 119
AFAC S_XAB 15010 9402 4927 512.5 256.4 24500 7560.
AFAC S_XF1 0.390 0.385 0.333 0.125 0.083 0.317 0.371 0.002 0.000-0.004
AFAC S_XF2 1.141 0.846 0.557 0.123 0.076 1.566 0.733 0.010 0.010 0.007
AFAC MO 3.7025 .277217.2356 1.095812.887611.0040 3.742961.6584 4.3875 RHF
AFAC MO M .1806 49.057 1.2306 14.786 -.4268 6.987 .0000 .000 .0171
AFAC MO N 5.1180 23.422 4.1809 9.208 -.0505 1.743 .0000 .000 .0053 2.00
AFAC MO_ 95.94 .6715 2.55
AFAC MO_SIZ 1.60 1.40 2.40 34
AFAC MO_XAB 72880 46610 25210 2937 9963113000 36600
AFAC MO_XF1 0.080 0.130-0.048-1.683-1.270-0.349 0.090 0.149 0.139 0.093
AFAC MO_XF2 5.348 4.039 2.734 0.686 3.098 7.205 3.533 0.586 0.552 0.418
EXPR HTYP1 PXC
EXPR NATYP 2
EXPR NHST 1
EXPR ATYP 1 MO 1 1.60 1.40 2.40 34
EXPR ATYP 2 S 1 1.47 1.27 1.85 119
EXPR NPHAS 1 0 0 0 0 0 0 0 0
REFN GDNFT Reduced CHI**2 = 68.07 for 4 variables
REFN RPOWD 0.6052 0.5239 18570 1.26383E+06 0.0000 0.0000 0
REFN STATS Cycle 2 There were 18570 observations. Total CHI**2 = 1.2638E+06
CRS1 PNAM from C:/Users/trist/OneDrive/Desktop/RMCProfile_package/RMCProfile
CRS1 NATOM 2
CRS1 ABC 3.140000 3.140000 12.530000 N 0
CRS1 ANGLES 90.0000 90.0000 120.0000
CRS1 AT 1A MO 0.333300 0.666700 0.250000 1.000000Mo 2 000
CRS1 AT 1B 0.000317 I
CRS1 AT 2A S 0.333300 0.666700 0.625000 1.000000S 4 000
CRS1 AT 2B 0.000317 I
CRS1 CELVOL 106.989
CRS1 CHMF 1 MO 1.00
CRS1 CHMF 2 S 2.00
CRS1 SG SYM P 63/m m c
CRS1 SPAXIS 0 0 1
HAP1 1 ZONE 0 0 0 0
HAP1 1EXTPOW 0.00000E+00 N 0
HAP1 1NAXIS 1
HAP1 1PHSFR 1.0000 N 0
HAP1 1PRCF 2 6 0.01
HAP1 1PRCF 1 2.000000E+00 -2.000000E+00 5.000000E+00 0.100000E+01
HAP1 1PRCF 2 0.100000E+01 0.000000E+00
HAP1 1PREFO1 1.000000 1.000000 0.000000 0.000000 1.000000 NN 0 0
HAP1 1RADDAM 0.00000E+00 N 0 0.00
HST 1 HFIL I88.GSAS
HST 1 HNAM Sample ID - Anode and Instrument
HST 1 IFIL inst_xry.prm
HST 1 BANK 1
HST 1 BIGFO 0.842624E+05
HST 1 CHANS 0 1 18570 7558144 18571 0 0
HST 1 EPHAS 0 0 0 0 0 0 0 0 0 Y
HST 1 ICONR 1.540500 1.544300 0.0 0 0.5 0
HST 1 ICONS 1.540500 1.544300 0.0 0 0.5 0 0.50000
HST 1 IRAD 3
HST 1 MAXRF 5
HST 1 NEXC 2
HST 1 NFOBS 118 0 0 0 0 0 0 0 0
HST 1 NPHAS 1 0 0 0 0 0 0 0 0
HST 1 NREF 118 0.8197 Y Y
HST 1 R-FAC 118 0.81239 1.630782E+06
HST 1 RPOWD 0.6052 0.5239 18570 1.26383E+06 0.0000 0.0000 0
HST 1 TRNGE 10.00000 139.98299
HST 1 WREXP 0.0734
HST 1ABSCOR 0.000000E+00 0.000000E+00 N 0
HST 1BAKGD 1 3 Y 0 Y
HST 1BAKGD1 0.135064E+03 -0.106879E+03 0.662768E+02
HST 1CHI 0.0000
HST 1DETAZM 0.0000
HST 1EXC 1 0.000 0.000
HST 1EXC 2 139.990 1000.000
HST 1EXMNMX 1.00000 1.00000
HST 1HSCALE 2.4101 Y 0
HST 1I HEAD DUMMY INCIDENT SPECTRUM FOR X-RAY DIFFRACTOMETER
HST 1I ITYP 0 0.0000 180.0000 1
HST 1MNREF 0 1.0000
HST 1ODMNMX 1.00000 1.00000
HST 1OMEGA 0.0000 Y
HST 1PHI 0.0000
HST 1PRCF1 2 6 0.01
HST 1PRCF11 2.000000E+00 -2.000000E+00 5.000000E+00 0.100000E+01
HST 1PRCF12 0.100000E+01 0.000000E+00
HST 1PRCF2 3 8 0.01
HST 1PRCF21 2.000000E+00 -2.000000E+00 5.000000E+00 0.100000E+00
HST 1PRCF22 0.000000E+00 0.000000E+00 0.150000E-01 0.150000E-01
HST 1PRCF3 4 12 0.01
HST 1PRCF31 2.000000E+00 -2.000000E+00 5.000000E+00 0.000000E+00
HST 1PRCF32 0.100000E+00 0.000000E+00 0.000000E+00 0.000000E+00
HST 1PRCF33 0.000000E+00 0.150000E-01 0.150000E-01 0.750000E+00
HST 1RSP 0.6653 0.5513 0.4355 0.5960 0.2370 0.3010 0.3326 0.1883 0.2000
HST 1RSPA 0.7850 0.6801 0.5534 0.7057 0.3002 0.4216 0.3920 0.2779 0.2954
HST 1RSPTT 10.00 24.43 38.88 53.32 67.76 82.21 96.65111.09125.54139.98
HST 1RSPW 0.7240 0.6144 0.4991 0.6560 0.2774 0.3670 0.3691 0.2362 0.2471
HST 1RSPWA 0.8568 0.7727 0.6276 0.8273 0.3723 0.5041 0.4508 0.3597 0.3980
HST 1TRMNMX 1.00000 1.00000
ZZZZZZZZZZZZ Last EXP file record
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1
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1MoS2 HSTDMP Version Win32 Jun 23 10:34:16 2020 Page 1
|------------------------------------------------|
| Program HSTDMP Version Win32 |
| Program for listing contents of the .Pnn files |
| Distributed on Fri Apr 18 10:12:00 2014 |
|------------------------------------------------|
|---------------------------------------------------------------|
| Allen C. Larson and Robert B. Von Dreele |
| Manuel Lujan, Jr. Neutron Scattering Center, MS-H805 |
| Los Alamos National Laboratory, Los Alamos, NM 87545 |
| |
| Copyright, 2000, The Regents of the University of California. |
|---------------------------------------------------------------|
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 2
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1 B 10.00000 770.00 308.23 1.0000 0.0000 1.29870E-03 0.7000 0 1
2 B 10.00700 806.00 308.19 1.0000 0.0000 1.24069E-03 0.7000 0 1
3 B 10.01400 827.00 308.15 1.0000 0.0000 1.20919E-03 0.7000 0 1
4 B 10.02100 767.00 308.11 1.0000 0.0000 1.30378E-03 0.7000 0 1
5 B 10.02800 802.00 308.07 1.0000 0.0000 1.24688E-03 0.7000 0 1
6 B 10.03500 823.00 308.03 1.0000 0.0000 1.21507E-03 0.7000 0 1
7 B 10.04200 826.00 307.99 1.0000 0.0000 1.21065E-03 0.7000 0 1
8 B 10.04900 809.00 307.95 1.0000 0.0000 1.23609E-03 0.7000 0 1
9 B 10.05600 789.00 307.91 1.0000 0.0000 1.26743E-03 0.7000 0 1
10 B 10.06300 794.00 307.87 1.0000 0.0000 1.25945E-03 0.7000 0 1
11 B 10.07000 793.00 307.83 1.0000 0.0000 1.26103E-03 0.7000 0 1
12 B 10.07700 799.00 307.79 1.0000 0.0000 1.25156E-03 0.7000 0 1
13 B 10.08400 780.00 307.75 1.0000 0.0000 1.28205E-03 0.7000 0 1
14 B 10.09100 832.00 307.71 1.0000 0.0000 1.20192E-03 0.7000 0 1
15 B 10.09800 838.00 307.67 1.0000 0.0000 1.19332E-03 0.7000 0 1
16 B 10.10500 738.00 307.63 1.0000 0.0000 1.35501E-03 0.7000 0 1
17 B 10.11200 808.00 307.59 1.0000 0.0000 1.23762E-03 0.7000 0 1
18 B 10.11900 772.00 307.55 1.0000 0.0000 1.29534E-03 0.7000 0 1
19 B 10.12600 792.00 307.51 1.0000 0.0000 1.26263E-03 0.7000 0 1
20 B 10.13300 808.00 307.47 1.0000 0.0000 1.23762E-03 0.7000 0 1
21 B 10.14000 816.00 307.43 1.0000 0.0000 1.22549E-03 0.7000 0 1
22 B 10.14700 812.00 307.39 1.0000 0.0000 1.23153E-03 0.7000 0 1
23 B 10.15400 795.00 307.35 1.0000 0.0000 1.25786E-03 0.7000 0 1
24 B 10.16100 797.00 307.31 1.0000 0.0000 1.25471E-03 0.7000 0 1
25 B 10.16800 772.00 307.27 1.0000 0.0000 1.29534E-03 0.7000 0 1
26 B 10.17500 781.00 307.23 1.0000 0.0000 1.28041E-03 0.7000 0 1
27 B 10.18200 771.00 307.19 1.0000 0.0000 1.29702E-03 0.7000 0 1
28 B 10.18900 756.00 307.15 1.0000 0.0000 1.32275E-03 0.7000 0 1
29 B 10.19600 757.00 307.11 1.0000 0.0000 1.32100E-03 0.7000 0 1
30 B 10.20300 759.00 307.07 1.0000 0.0000 1.31752E-03 0.7000 0 1
31 B 10.21000 819.00 307.03 1.0000 0.0000 1.22100E-03 0.7000 0 1
32 B 10.21700 752.00 306.99 1.0000 0.0000 1.32979E-03 0.7000 0 1
33 B 10.22400 753.00 306.95 1.0000 0.0000 1.32802E-03 0.7000 0 1
34 B 10.23100 806.00 306.91 1.0000 0.0000 1.24069E-03 0.7000 0 1
35 B 10.23800 792.00 306.87 1.0000 0.0000 1.26263E-03 0.7000 0 1
36 B 10.24500 791.00 306.83 1.0000 0.0000 1.26422E-03 0.7001 0 1
37 B 10.25200 739.00 306.79 1.0000 0.0000 1.35318E-03 0.7000 0 1
38 B 10.25900 782.00 306.75 1.0000 0.0000 1.27877E-03 0.7000 0 1
39 B 10.26600 759.00 306.71 1.0000 0.0000 1.31752E-03 0.7001 0 1
40 B 10.27300 730.00 306.67 1.0000 0.0000 1.36986E-03 0.7000 0 1
41 B 10.28000 764.00 306.63 1.0000 0.0000 1.30890E-03 0.7001 0 1
42 B 10.28700 781.00 306.59 1.0000 0.0000 1.28041E-03 0.7000 0 1
43 B 10.29400 784.00 306.55 1.0000 0.0000 1.27551E-03 0.7000 0 1
44 B 10.30100 753.00 306.51 1.0000 0.0000 1.32802E-03 0.7001 0 1
45 B 10.30800 739.00 306.47 1.0000 0.0000 1.35318E-03 0.7000 0 1
46 B 10.31500 761.00 306.43 1.0000 0.0000 1.31406E-03 0.7001 0 1
47 B 10.32200 776.00 306.39 1.0000 0.0000 1.28866E-03 0.7000 0 1
48 B 10.32900 754.00 306.35 1.0000 0.0000 1.32626E-03 0.7000 0 1
49 B 10.33600 761.00 306.31 1.0000 0.0000 1.31406E-03 0.7001 0 1
50 B 10.34300 780.00 306.27 1.0000 0.0000 1.28205E-03 0.7000 0 1
51 B 10.35000 760.00 306.23 1.0000 0.0000 1.31579E-03 0.7001 0 1
52 B 10.35700 745.00 306.19 1.0000 0.0000 1.34228E-03 0.7000 0 1
53 B 10.36400 751.00 306.15 1.0000 0.0000 1.33156E-03 0.7000 0 1
54 B 10.37100 786.00 306.11 1.0000 0.0000 1.27226E-03 0.7001 0 1
55 B 10.37800 771.00 306.07 1.0000 0.0000 1.29702E-03 0.7000 0 1
56 B 10.38500 737.00 306.03 1.0000 0.0000 1.35685E-03 0.7001 0 1
57 B 10.39200 737.00 305.99 1.0000 0.0000 1.35685E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 3
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
58 B 10.39900 733.00 305.95 1.0000 0.0000 1.36426E-03 0.7000 0 1
59 B 10.40600 759.00 305.91 1.0000 0.0000 1.31752E-03 0.7001 0 1
60 B 10.41300 738.00 305.87 1.0000 0.0000 1.35501E-03 0.7000 0 1
61 B 10.42000 727.00 305.83 1.0000 0.0000 1.37552E-03 0.7001 0 1
62 B 10.42700 750.00 305.79 1.0000 0.0000 1.33333E-03 0.7000 0 1
63 B 10.43400 729.00 305.75 1.0000 0.0000 1.37174E-03 0.7000 0 1
64 B 10.44100 715.00 305.71 1.0000 0.0000 1.39860E-03 0.7001 0 1
65 B 10.44800 702.00 305.67 1.0000 0.0000 1.42450E-03 0.7000 0 1
66 B 10.45500 773.00 305.63 1.0000 0.0000 1.29366E-03 0.7001 0 1
67 B 10.46200 756.00 305.59 1.0000 0.0000 1.32275E-03 0.7000 0 1
68 B 10.46900 722.00 305.55 1.0000 0.0000 1.38504E-03 0.7000 0 1
69 B 10.47600 747.00 305.51 1.0000 0.0000 1.33869E-03 0.7001 0 1
70 B 10.48300 777.00 305.47 1.0000 0.0000 1.28700E-03 0.7000 0 1
71 B 10.49000 747.00 305.43 1.0000 0.0000 1.33869E-03 0.7001 0 1
72 B 10.49700 754.00 305.39 1.0000 0.0000 1.32626E-03 0.7000 0 1
73 B 10.50400 747.00 305.35 1.0000 0.0000 1.33869E-03 0.7000 0 1
74 B 10.51100 777.00 305.31 1.0000 0.0000 1.28700E-03 0.7001 0 1
75 B 10.51800 783.00 305.27 1.0000 0.0000 1.27714E-03 0.7000 0 1
76 B 10.52500 793.00 305.23 1.0000 0.0000 1.26103E-03 0.7001 0 1
77 B 10.53200 759.00 305.19 1.0000 0.0000 1.31752E-03 0.7000 0 1
78 B 10.53900 749.00 305.15 1.0000 0.0000 1.33511E-03 0.7000 0 1
79 B 10.54600 752.00 305.11 1.0000 0.0000 1.32979E-03 0.7001 0 1
80 B 10.55300 776.00 305.07 1.0000 0.0000 1.28866E-03 0.7000 0 1
81 B 10.56000 764.00 305.03 1.0000 0.0000 1.30890E-03 0.7001 0 1
82 B 10.56700 763.00 304.99 1.0000 0.0000 1.31062E-03 0.7000 0 1
83 B 10.57400 770.00 304.95 1.0000 0.0000 1.29870E-03 0.7000 0 1
84 B 10.58100 759.00 304.91 1.0000 0.0000 1.31752E-03 0.7001 0 1
85 B 10.58800 729.00 304.87 1.0000 0.0000 1.37174E-03 0.7000 0 1
86 B 10.59500 730.00 304.83 1.0000 0.0000 1.36986E-03 0.7001 0 1
87 B 10.60200 748.00 304.79 1.0000 0.0000 1.33690E-03 0.7000 0 1
88 B 10.60900 766.00 304.75 1.0000 0.0000 1.30548E-03 0.7000 0 1
89 B 10.61600 755.00 304.71 1.0000 0.0000 1.32450E-03 0.7001 0 1
90 B 10.62300 707.00 304.67 1.0000 0.0000 1.41443E-03 0.7000 0 1
91 B 10.63000 761.00 304.63 1.0000 0.0000 1.31406E-03 0.7001 0 1
92 B 10.63700 714.00 304.60 1.0000 0.0000 1.40056E-03 0.7000 0 1
93 B 10.64400 733.00 304.56 1.0000 0.0000 1.36426E-03 0.7000 0 1
94 B 10.65100 766.00 304.52 1.0000 0.0000 1.30548E-03 0.7001 0 1
95 B 10.65800 747.00 304.48 1.0000 0.0000 1.33869E-03 0.7000 0 1
96 B 10.66500 708.00 304.44 1.0000 0.0000 1.41243E-03 0.7001 0 1
97 B 10.67200 710.00 304.40 1.0000 0.0000 1.40845E-03 0.7000 0 1
98 B 10.67900 712.00 304.36 1.0000 0.0000 1.40449E-03 0.7000 0 1
99 B 10.68600 749.00 304.32 1.0000 0.0000 1.33511E-03 0.7001 0 1
100 B 10.69300 744.00 304.28 1.0000 0.0000 1.34409E-03 0.7000 0 1
101 B 10.70000 733.00 304.24 1.0000 0.0000 1.36426E-03 0.7001 0 1
102 B 10.70700 744.00 304.20 1.0000 0.0000 1.34409E-03 0.7000 0 1
103 B 10.71400 727.00 304.16 1.0000 0.0000 1.37552E-03 0.7000 0 1
104 B 10.72100 754.00 304.12 1.0000 0.0000 1.32626E-03 0.7001 0 1
105 B 10.72800 768.00 304.08 1.0000 0.0000 1.30208E-03 0.7000 0 1
106 B 10.73500 719.00 304.04 1.0000 0.0000 1.39082E-03 0.7001 0 1
107 B 10.74200 720.00 304.00 1.0000 0.0000 1.38889E-03 0.7000 0 1
108 B 10.74900 778.00 303.96 1.0000 0.0000 1.28535E-03 0.7000 0 1
109 B 10.75600 757.00 303.92 1.0000 0.0000 1.32100E-03 0.7001 0 1
110 B 10.76300 779.00 303.88 1.0000 0.0000 1.28370E-03 0.7000 0 1
111 B 10.77000 760.00 303.84 1.0000 0.0000 1.31579E-03 0.7001 0 1
112 B 10.77700 766.00 303.80 1.0000 0.0000 1.30548E-03 0.7000 0 1
113 B 10.78400 746.00 303.76 1.0000 0.0000 1.34048E-03 0.7000 0 1
114 B 10.79100 721.00 303.72 1.0000 0.0000 1.38696E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 4
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
115 B 10.79800 706.00 303.68 1.0000 0.0000 1.41643E-03 0.7000 0 1
116 B 10.80500 689.00 303.64 1.0000 0.0000 1.45138E-03 0.7001 0 1
117 B 10.81200 722.00 303.60 1.0000 0.0000 1.38504E-03 0.7000 0 1
118 B 10.81900 723.00 303.56 1.0000 0.0000 1.38313E-03 0.7000 0 1
119 B 10.82600 729.00 303.52 1.0000 0.0000 1.37174E-03 0.7001 0 1
120 B 10.83300 747.00 303.48 1.0000 0.0000 1.33869E-03 0.7000 0 1
121 B 10.84000 720.00 303.44 1.0000 0.0000 1.38889E-03 0.7001 0 1
122 B 10.84700 731.00 303.40 1.0000 0.0000 1.36799E-03 0.7000 0 1
123 B 10.85400 727.00 303.36 1.0000 0.0000 1.37552E-03 0.7000 0 1
124 B 10.86100 679.00 303.32 1.0000 0.0000 1.47275E-03 0.7001 0 1
125 B 10.86800 727.00 303.28 1.0000 0.0000 1.37552E-03 0.7000 0 1
126 B 10.87500 727.00 303.24 1.0000 0.0000 1.37552E-03 0.7001 0 1
127 B 10.88200 710.00 303.20 1.0000 0.0000 1.40845E-03 0.7000 0 1
128 B 10.88900 742.00 303.16 1.0000 0.0000 1.34771E-03 0.7000 0 1
129 B 10.89600 731.00 303.13 1.0000 0.0000 1.36799E-03 0.7001 0 1
130 B 10.90300 762.00 303.09 1.0000 0.0000 1.31234E-03 0.7000 0 1
131 B 10.91000 730.00 303.05 1.0000 0.0000 1.36986E-03 0.7001 0 1
132 B 10.91700 690.00 303.01 1.0000 0.0000 1.44928E-03 0.7000 0 1
133 B 10.92400 699.00 302.97 1.0000 0.0000 1.43062E-03 0.7000 0 1
134 B 10.93100 713.00 302.93 1.0000 0.0000 1.40252E-03 0.7001 0 1
135 B 10.93800 735.00 302.89 1.0000 0.0000 1.36054E-03 0.7000 0 1
136 B 10.94500 697.00 302.85 1.0000 0.0000 1.43472E-03 0.7001 0 1
137 B 10.95200 708.00 302.81 1.0000 0.0000 1.41243E-03 0.7000 0 1
138 B 10.95900 719.00 302.77 1.0000 0.0000 1.39082E-03 0.7000 0 1
139 B 10.96600 718.00 302.73 1.0000 0.0000 1.39276E-03 0.7001 0 1
140 B 10.97300 698.00 302.69 1.0000 0.0000 1.43266E-03 0.7000 0 1
141 B 10.98000 707.00 302.65 1.0000 0.0000 1.41443E-03 0.7001 0 1
142 B 10.98700 725.00 302.61 1.0000 0.0000 1.37931E-03 0.7000 0 1
143 B 10.99400 701.00 302.57 1.0000 0.0000 1.42653E-03 0.7000 0 1
144 B 11.00100 721.00 302.53 1.0000 0.0000 1.38696E-03 0.7001 0 1
145 B 11.00800 725.00 302.49 1.0000 0.0000 1.37931E-03 0.7000 0 1
146 B 11.01500 724.00 302.45 1.0000 0.0000 1.38122E-03 0.7001 0 1
147 B 11.02200 727.00 302.41 1.0000 0.0000 1.37552E-03 0.7000 0 1
148 B 11.02900 723.00 302.37 1.0000 0.0000 1.38313E-03 0.7000 0 1
149 B 11.03600 727.00 302.33 1.0000 0.0000 1.37552E-03 0.7001 0 1
150 B 11.04300 690.00 302.29 1.0000 0.0000 1.44928E-03 0.7000 0 1
151 B 11.05000 732.00 302.25 1.0000 0.0000 1.36612E-03 0.7001 0 1
152 B 11.05700 744.00 302.21 1.0000 0.0000 1.34409E-03 0.7000 0 1
153 B 11.06400 717.00 302.17 1.0000 0.0000 1.39470E-03 0.7000 0 1
154 B 11.07100 728.00 302.13 1.0000 0.0000 1.37363E-03 0.7001 0 1
155 B 11.07800 687.00 302.09 1.0000 0.0000 1.45560E-03 0.7000 0 1
156 B 11.08500 700.00 302.06 1.0000 0.0000 1.42857E-03 0.7001 0 1
157 B 11.09200 706.00 302.02 1.0000 0.0000 1.41643E-03 0.7000 0 1
158 B 11.09900 725.00 301.98 1.0000 0.0000 1.37931E-03 0.7000 0 1
159 B 11.10600 697.00 301.94 1.0000 0.0000 1.43472E-03 0.7001 0 1
160 B 11.11300 706.00 301.90 1.0000 0.0000 1.41643E-03 0.7000 0 1
161 B 11.12000 708.00 301.86 1.0000 0.0000 1.41243E-03 0.7001 0 1
162 B 11.12700 722.00 301.82 1.0000 0.0000 1.38504E-03 0.7000 0 1
163 B 11.13400 736.00 301.78 1.0000 0.0000 1.35870E-03 0.7000 0 1
164 B 11.14100 712.00 301.74 1.0000 0.0000 1.40449E-03 0.7001 0 1
165 B 11.14800 700.00 301.70 1.0000 0.0000 1.42857E-03 0.7000 0 1
166 B 11.15500 708.00 301.66 1.0000 0.0000 1.41243E-03 0.7001 0 1
167 B 11.16200 703.00 301.62 1.0000 0.0000 1.42248E-03 0.7000 0 1
168 B 11.16900 707.00 301.58 1.0000 0.0000 1.41443E-03 0.7000 0 1
169 B 11.17600 717.00 301.54 1.0000 0.0000 1.39470E-03 0.7001 0 1
170 B 11.18300 744.00 301.50 1.0000 0.0000 1.34409E-03 0.7000 0 1
171 B 11.19000 734.00 301.46 1.0000 0.0000 1.36240E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 5
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
172 B 11.19700 712.00 301.42 1.0000 0.0000 1.40449E-03 0.7000 0 1
173 B 11.20400 723.00 301.38 1.0000 0.0000 1.38313E-03 0.7000 0 1
174 B 11.21100 704.00 301.34 1.0000 0.0000 1.42045E-03 0.7001 0 1
175 B 11.21800 720.00 301.30 1.0000 0.0000 1.38889E-03 0.7000 0 1
176 B 11.22500 716.00 301.26 1.0000 0.0000 1.39665E-03 0.7001 0 1
177 B 11.23200 693.00 301.22 1.0000 0.0000 1.44300E-03 0.7000 0 1
178 B 11.23900 703.00 301.18 1.0000 0.0000 1.42248E-03 0.7000 0 1
179 B 11.24600 732.00 301.15 1.0000 0.0000 1.36612E-03 0.7001 0 1
180 B 11.25300 710.00 301.11 1.0000 0.0000 1.40845E-03 0.7000 0 1
181 B 11.26000 694.00 301.07 1.0000 0.0000 1.44092E-03 0.7001 0 1
182 B 11.26700 717.00 301.03 1.0000 0.0000 1.39470E-03 0.7000 0 1
183 B 11.27400 713.00 300.99 1.0000 0.0000 1.40252E-03 0.7000 0 1
184 B 11.28100 640.00 300.95 1.0000 0.0000 1.56250E-03 0.7001 0 1
185 B 11.28800 686.00 300.91 1.0000 0.0000 1.45773E-03 0.7000 0 1
186 B 11.29500 708.00 300.87 1.0000 0.0000 1.41243E-03 0.7001 0 1
187 B 11.30200 674.00 300.83 1.0000 0.0000 1.48368E-03 0.7000 0 1
188 B 11.30900 673.00 300.79 1.0000 0.0000 1.48588E-03 0.7000 0 1
189 B 11.31600 673.00 300.75 1.0000 0.0000 1.48588E-03 0.7001 0 1
190 B 11.32300 670.00 300.71 1.0000 0.0000 1.49254E-03 0.7000 0 1
191 B 11.33000 705.00 300.67 1.0000 0.0000 1.41844E-03 0.7001 0 1
192 B 11.33700 696.00 300.63 1.0000 0.0000 1.43678E-03 0.7000 0 1
193 B 11.34400 692.00 300.59 1.0000 0.0000 1.44509E-03 0.7000 0 1
194 B 11.35100 695.00 300.55 1.0000 0.0000 1.43885E-03 0.7001 0 1
195 B 11.35800 690.00 300.51 1.0000 0.0000 1.44928E-03 0.7000 0 1
196 B 11.36500 661.00 300.47 1.0000 0.0000 1.51286E-03 0.7001 0 1
197 B 11.37200 689.00 300.43 1.0000 0.0000 1.45138E-03 0.7000 0 1
198 B 11.37900 701.00 300.39 1.0000 0.0000 1.42653E-03 0.7000 0 1
199 B 11.38600 685.00 300.36 1.0000 0.0000 1.45985E-03 0.7001 0 1
200 B 11.39300 682.00 300.32 1.0000 0.0000 1.46628E-03 0.7000 0 1
201 B 11.40000 692.00 300.28 1.0000 0.0000 1.44509E-03 0.7001 0 1
202 B 11.40700 657.00 300.24 1.0000 0.0000 1.52207E-03 0.7000 0 1
203 B 11.41400 675.00 300.20 1.0000 0.0000 1.48148E-03 0.7000 0 1
204 B 11.42100 688.00 300.16 1.0000 0.0000 1.45349E-03 0.7001 0 1
205 B 11.42800 684.00 300.12 1.0000 0.0000 1.46199E-03 0.7000 0 1
206 B 11.43500 656.00 300.08 1.0000 0.0000 1.52439E-03 0.7001 0 1
207 B 11.44200 698.00 300.04 1.0000 0.0000 1.43266E-03 0.7000 0 1
208 B 11.44900 708.00 300.00 1.0000 0.0000 1.41243E-03 0.7000 0 1
209 B 11.45600 674.00 299.96 1.0000 0.0000 1.48368E-03 0.7001 0 1
210 B 11.46300 651.00 299.92 1.0000 0.0000 1.53610E-03 0.7000 0 1
211 B 11.47000 703.00 299.88 1.0000 0.0000 1.42248E-03 0.7001 0 1
212 B 11.47700 665.00 299.84 1.0000 0.0000 1.50376E-03 0.7000 0 1
213 B 11.48400 715.00 299.80 1.0000 0.0000 1.39860E-03 0.7000 0 1
214 B 11.49100 725.00 299.76 1.0000 0.0000 1.37931E-03 0.7001 0 1
215 B 11.49800 687.00 299.72 1.0000 0.0000 1.45560E-03 0.7000 0 1
216 B 11.50500 762.00 299.69 1.0000 0.0000 1.31234E-03 0.7001 0 1
217 B 11.51200 678.00 299.65 1.0000 0.0000 1.47493E-03 0.7000 0 1
218 B 11.51900 661.00 299.61 1.0000 0.0000 1.51286E-03 0.7000 0 1
219 B 11.52600 674.00 299.57 1.0000 0.0000 1.48368E-03 0.7001 0 1
220 B 11.53300 656.00 299.53 1.0000 0.0000 1.52439E-03 0.7000 0 1
221 B 11.54000 663.00 299.49 1.0000 0.0000 1.50830E-03 0.7001 0 1
222 B 11.54700 655.00 299.45 1.0000 0.0000 1.52672E-03 0.7000 0 1
223 B 11.55400 637.00 299.41 1.0000 0.0000 1.56986E-03 0.7000 0 1
224 B 11.56100 671.00 299.37 1.0000 0.0000 1.49031E-03 0.7001 0 1
225 B 11.56800 698.00 299.33 1.0000 0.0000 1.43266E-03 0.7000 0 1
226 B 11.57500 680.00 299.29 1.0000 0.0000 1.47059E-03 0.7001 0 1
227 B 11.58200 688.00 299.25 1.0000 0.0000 1.45349E-03 0.7000 0 1
228 B 11.58900 697.00 299.21 1.0000 0.0000 1.43472E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 6
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
229 B 11.59600 692.00 299.17 1.0000 0.0000 1.44509E-03 0.7001 0 1
230 B 11.60300 691.00 299.13 1.0000 0.0000 1.44718E-03 0.7000 0 1
231 B 11.61000 673.00 299.09 1.0000 0.0000 1.48588E-03 0.7001 0 1
232 B 11.61700 684.00 299.06 1.0000 0.0000 1.46199E-03 0.7000 0 1
233 B 11.62400 722.00 299.02 1.0000 0.0000 1.38504E-03 0.7000 0 1
234 B 11.63100 732.00 298.98 1.0000 0.0000 1.36612E-03 0.7001 0 1
235 B 11.63800 687.00 298.94 1.0000 0.0000 1.45560E-03 0.7000 0 1
236 B 11.64500 682.00 298.90 1.0000 0.0000 1.46628E-03 0.7001 0 1
237 B 11.65200 690.00 298.86 1.0000 0.0000 1.44928E-03 0.7000 0 1
238 B 11.65900 699.00 298.82 1.0000 0.0000 1.43062E-03 0.7000 0 1
239 B 11.66600 698.00 298.78 1.0000 0.0000 1.43266E-03 0.7001 0 1
240 B 11.67300 676.00 298.74 1.0000 0.0000 1.47929E-03 0.7000 0 1
241 B 11.68000 684.00 298.70 1.0000 0.0000 1.46199E-03 0.7001 0 1
242 B 11.68700 677.00 298.66 1.0000 0.0000 1.47710E-03 0.7000 0 1
243 B 11.69400 692.00 298.62 1.0000 0.0000 1.44509E-03 0.7000 0 1
244 B 11.70100 688.00 298.58 1.0000 0.0000 1.45349E-03 0.7001 0 1
245 B 11.70800 650.00 298.54 1.0000 0.0000 1.53846E-03 0.7000 0 1
246 B 11.71500 707.00 298.50 1.0000 0.0000 1.41443E-03 0.7001 0 1
247 B 11.72200 656.00 298.47 1.0000 0.0000 1.52439E-03 0.7000 0 1
248 B 11.72900 662.00 298.43 1.0000 0.0000 1.51057E-03 0.7000 0 1
249 B 11.73600 692.00 298.39 1.0000 0.0000 1.44509E-03 0.7001 0 1
250 B 11.74300 694.00 298.35 1.0000 0.0000 1.44092E-03 0.7000 0 1
251 B 11.75000 676.00 298.31 1.0000 0.0000 1.47929E-03 0.7001 0 1
252 B 11.75700 646.00 298.27 1.0000 0.0000 1.54799E-03 0.7000 0 1
253 B 11.76400 683.00 298.23 1.0000 0.0000 1.46413E-03 0.7000 0 1
254 B 11.77100 712.00 298.19 1.0000 0.0000 1.40449E-03 0.7001 0 1
255 B 11.77800 700.00 298.15 1.0000 0.0000 1.42857E-03 0.7000 0 1
256 B 11.78500 676.00 298.11 1.0000 0.0000 1.47929E-03 0.7001 0 1
257 B 11.79200 641.00 298.07 1.0000 0.0000 1.56006E-03 0.7000 0 1
258 B 11.79900 666.00 298.03 1.0000 0.0000 1.50150E-03 0.7000 0 1
259 B 11.80600 656.00 297.99 1.0000 0.0000 1.52439E-03 0.7001 0 1
260 B 11.81300 692.00 297.95 1.0000 0.0000 1.44509E-03 0.7000 0 1
261 B 11.82000 652.00 297.92 1.0000 0.0000 1.53374E-03 0.7001 0 1
262 B 11.82700 696.00 297.88 1.0000 0.0000 1.43678E-03 0.7000 0 1
263 B 11.83400 684.00 297.84 1.0000 0.0000 1.46199E-03 0.7000 0 1
264 B 11.84100 698.00 297.80 1.0000 0.0000 1.43266E-03 0.7001 0 1
265 B 11.84800 694.00 297.76 1.0000 0.0000 1.44092E-03 0.7000 0 1
266 B 11.85500 671.00 297.72 1.0000 0.0000 1.49031E-03 0.7001 0 1
267 B 11.86200 666.00 297.68 1.0000 0.0000 1.50150E-03 0.7000 0 1
268 B 11.86900 665.00 297.64 1.0000 0.0000 1.50376E-03 0.7000 0 1
269 B 11.87600 686.00 297.60 1.0000 0.0000 1.45773E-03 0.7001 0 1
270 B 11.88300 692.00 297.56 1.0000 0.0000 1.44509E-03 0.7000 0 1
271 B 11.89000 676.00 297.52 1.0000 0.0000 1.47929E-03 0.7001 0 1
272 B 11.89700 676.00 297.48 1.0000 0.0000 1.47929E-03 0.7000 0 1
273 B 11.90400 673.00 297.44 1.0000 0.0000 1.48588E-03 0.7000 0 1
274 B 11.91100 676.00 297.40 1.0000 0.0000 1.47929E-03 0.7001 0 1
275 B 11.91800 646.00 297.37 1.0000 0.0000 1.54799E-03 0.7000 0 1
276 B 11.92500 685.00 297.33 1.0000 0.0000 1.45985E-03 0.7001 0 1
277 B 11.93200 677.00 297.29 1.0000 0.0000 1.47710E-03 0.7000 0 1
278 B 11.93900 633.00 297.25 1.0000 0.0000 1.57978E-03 0.7000 0 1
279 B 11.94600 625.00 297.21 1.0000 0.0000 1.60000E-03 0.7001 0 1
280 B 11.95300 624.00 297.17 1.0000 0.0000 1.60256E-03 0.7000 0 1
281 B 11.96000 646.00 297.13 1.0000 0.0000 1.54799E-03 0.7001 0 1
282 B 11.96700 693.00 297.09 1.0000 0.0000 1.44300E-03 0.7000 0 1
283 B 11.97400 675.00 297.05 1.0000 0.0000 1.48148E-03 0.7000 0 1
284 B 11.98100 667.00 297.01 1.0000 0.0000 1.49925E-03 0.7001 0 1
285 B 11.98800 673.00 296.97 1.0000 0.0000 1.48588E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 7
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
286 B 11.99500 665.00 296.93 1.0000 0.0000 1.50376E-03 0.7001 0 1
287 B 12.00200 666.00 296.90 1.0000 0.0000 1.50150E-03 0.7000 0 1
288 B 12.00900 669.00 296.86 1.0000 0.0000 1.49477E-03 0.7000 0 1
289 B 12.01600 688.00 296.82 1.0000 0.0000 1.45349E-03 0.7001 0 1
290 B 12.02300 666.00 296.78 1.0000 0.0000 1.50150E-03 0.7000 0 1
291 B 12.03000 650.00 296.74 1.0000 0.0000 1.53846E-03 0.7001 0 1
292 B 12.03700 642.00 296.70 1.0000 0.0000 1.55763E-03 0.7000 0 1
293 B 12.04400 682.00 296.66 1.0000 0.0000 1.46628E-03 0.7000 0 1
294 B 12.05100 656.00 296.62 1.0000 0.0000 1.52439E-03 0.7001 0 1
295 B 12.05800 671.00 296.58 1.0000 0.0000 1.49031E-03 0.7000 0 1
296 B 12.06500 649.00 296.54 1.0000 0.0000 1.54083E-03 0.7001 0 1
297 B 12.07200 614.00 296.50 1.0000 0.0000 1.62866E-03 0.7000 0 1
298 B 12.07900 662.00 296.46 1.0000 0.0000 1.51057E-03 0.7000 0 1
299 B 12.08600 662.00 296.43 1.0000 0.0000 1.51057E-03 0.7001 0 1
300 B 12.09300 672.00 296.39 1.0000 0.0000 1.48810E-03 0.7000 0 1
301 B 12.10000 648.00 296.35 1.0000 0.0000 1.54321E-03 0.7001 0 1
302 B 12.10700 632.00 296.31 1.0000 0.0000 1.58228E-03 0.7000 0 1
303 B 12.11400 607.00 296.27 1.0000 0.0000 1.64745E-03 0.7000 0 1
304 B 12.12100 616.00 296.23 1.0000 0.0000 1.62338E-03 0.7001 0 1
305 B 12.12800 687.00 296.19 1.0000 0.0000 1.45560E-03 0.7000 0 1
306 B 12.13500 686.00 296.15 1.0000 0.0000 1.45773E-03 0.7001 0 1
307 B 12.14200 685.00 296.11 1.0000 0.0000 1.45985E-03 0.7000 0 1
308 B 12.14900 666.00 296.07 1.0000 0.0000 1.50150E-03 0.7000 0 1
309 B 12.15600 644.00 296.03 1.0000 0.0000 1.55280E-03 0.7001 0 1
310 B 12.16300 671.00 295.99 1.0000 0.0000 1.49031E-03 0.7000 0 1
311 B 12.17000 688.00 295.96 1.0000 0.0000 1.45349E-03 0.7001 0 1
312 B 12.17700 688.00 295.92 1.0000 0.0000 1.45349E-03 0.7000 0 1
313 B 12.18400 640.00 295.88 1.0000 0.0000 1.56250E-03 0.7000 0 1
314 B 12.19100 655.00 295.84 1.0000 0.0000 1.52672E-03 0.7001 0 1
315 B 12.19800 659.00 295.80 1.0000 0.0000 1.51745E-03 0.7000 0 1
316 B 12.20500 675.00 295.76 1.0000 0.0000 1.48148E-03 0.7001 0 1
317 B 12.21200 670.00 295.72 1.0000 0.0000 1.49254E-03 0.7000 0 1
318 B 12.21900 646.00 295.68 1.0000 0.0000 1.54799E-03 0.7000 0 1
319 B 12.22600 678.00 295.64 1.0000 0.0000 1.47493E-03 0.7001 0 1
320 B 12.23300 653.00 295.60 1.0000 0.0000 1.53139E-03 0.7000 0 1
321 B 12.24000 669.00 295.56 1.0000 0.0000 1.49477E-03 0.7001 0 1
322 B 12.24700 633.00 295.53 1.0000 0.0000 1.57978E-03 0.7000 0 1
323 B 12.25400 722.00 295.49 1.0000 0.0000 1.38504E-03 0.7000 0 1
324 B 12.26100 678.00 295.45 1.0000 0.0000 1.47493E-03 0.7001 0 1
325 B 12.26800 639.00 295.41 1.0000 0.0000 1.56495E-03 0.7000 0 1
326 B 12.27500 642.00 295.37 1.0000 0.0000 1.55763E-03 0.7001 0 1
327 B 12.28200 676.00 295.33 1.0000 0.0000 1.47929E-03 0.7000 0 1
328 B 12.28900 654.00 295.29 1.0000 0.0000 1.52905E-03 0.7000 0 1
329 B 12.29600 669.00 295.25 1.0000 0.0000 1.49477E-03 0.7001 0 1
330 B 12.30300 667.00 295.21 1.0000 0.0000 1.49925E-03 0.7000 0 1
331 B 12.31000 655.00 295.17 1.0000 0.0000 1.52672E-03 0.7001 0 1
332 B 12.31700 636.00 295.13 1.0000 0.0000 1.57233E-03 0.7000 0 1
333 B 12.32400 656.00 295.10 1.0000 0.0000 1.52439E-03 0.7000 0 1
334 B 12.33100 655.00 295.06 1.0000 0.0000 1.52672E-03 0.7001 0 1
335 B 12.33800 673.00 295.02 1.0000 0.0000 1.48588E-03 0.7000 0 1
336 B 12.34500 671.00 294.98 1.0000 0.0000 1.49031E-03 0.7001 0 1
337 B 12.35200 597.00 294.94 1.0000 0.0000 1.67504E-03 0.7000 0 1
338 B 12.35900 673.00 294.90 1.0000 0.0000 1.48588E-03 0.7000 0 1
339 B 12.36600 672.00 294.86 1.0000 0.0000 1.48810E-03 0.7001 0 1
340 B 12.37300 655.00 294.82 1.0000 0.0000 1.52672E-03 0.7000 0 1
341 B 12.38000 642.00 294.78 1.0000 0.0000 1.55763E-03 0.7001 0 1
342 B 12.38700 655.00 294.74 1.0000 0.0000 1.52672E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 8
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
343 B 12.39400 657.00 294.71 1.0000 0.0000 1.52207E-03 0.7000 0 1
344 B 12.40100 652.00 294.67 1.0000 0.0000 1.53374E-03 0.7001 0 1
345 B 12.40800 650.00 294.63 1.0000 0.0000 1.53846E-03 0.7000 0 1
346 B 12.41500 687.00 294.59 1.0000 0.0000 1.45560E-03 0.7001 0 1
347 B 12.42200 672.00 294.55 1.0000 0.0000 1.48810E-03 0.7000 0 1
348 B 12.42900 659.00 294.51 1.0000 0.0000 1.51745E-03 0.7000 0 1
349 B 12.43600 644.00 294.47 1.0000 0.0000 1.55280E-03 0.7001 0 1
350 B 12.44300 660.00 294.43 1.0000 0.0000 1.51515E-03 0.7000 0 1
351 B 12.45000 669.00 294.39 1.0000 0.0000 1.49477E-03 0.7001 0 1
352 B 12.45700 664.00 294.35 1.0000 0.0000 1.50602E-03 0.7000 0 1
353 B 12.46400 671.00 294.32 1.0000 0.0000 1.49031E-03 0.7000 0 1
354 B 12.47100 671.00 294.28 1.0000 0.0000 1.49031E-03 0.7001 0 1
355 B 12.47800 648.00 294.24 1.0000 0.0000 1.54321E-03 0.7000 0 1
356 B 12.48500 647.00 294.20 1.0000 0.0000 1.54560E-03 0.7001 0 1
357 B 12.49200 635.00 294.16 1.0000 0.0000 1.57480E-03 0.7000 0 1
358 B 12.49900 643.00 294.12 1.0000 0.0000 1.55521E-03 0.7000 0 1
359 B 12.50600 686.00 294.08 1.0000 0.0000 1.45773E-03 0.7001 0 1
360 B 12.51300 661.00 294.04 1.0000 0.0000 1.51286E-03 0.7000 0 1
361 B 12.52000 647.00 294.00 1.0000 0.0000 1.54560E-03 0.7001 0 1
362 B 12.52700 657.00 293.96 1.0000 0.0000 1.52207E-03 0.7000 0 1
363 B 12.53400 627.00 293.93 1.0000 0.0000 1.59490E-03 0.7000 0 1
364 B 12.54100 666.00 293.89 1.0000 0.0000 1.50150E-03 0.7001 0 1
365 B 12.54800 683.00 293.85 1.0000 0.0000 1.46413E-03 0.7000 0 1
366 B 12.55500 689.00 293.81 1.0000 0.0000 1.45138E-03 0.7001 0 1
367 B 12.56200 613.00 293.77 1.0000 0.0000 1.63132E-03 0.7000 0 1
368 B 12.56900 657.00 293.73 1.0000 0.0000 1.52207E-03 0.7000 0 1
369 B 12.57600 687.00 293.69 1.0000 0.0000 1.45560E-03 0.7001 0 1
370 B 12.58300 668.00 293.65 1.0000 0.0000 1.49701E-03 0.7000 0 1
371 B 12.59000 676.00 293.61 1.0000 0.0000 1.47929E-03 0.7001 0 1
372 B 12.59700 646.00 293.58 1.0000 0.0000 1.54799E-03 0.7000 0 1
373 B 12.60400 661.00 293.54 1.0000 0.0000 1.51286E-03 0.7000 0 1
374 B 12.61100 661.00 293.50 1.0000 0.0000 1.51286E-03 0.7001 0 1
375 B 12.61800 652.00 293.46 1.0000 0.0000 1.53374E-03 0.7000 0 1
376 B 12.62500 651.00 293.42 1.0000 0.0000 1.53610E-03 0.7001 0 1
377 B 12.63200 666.00 293.38 1.0000 0.0000 1.50150E-03 0.7000 0 1
378 B 12.63900 660.00 293.34 1.0000 0.0000 1.51515E-03 0.7000 0 1
379 B 12.64600 638.00 293.30 1.0000 0.0000 1.56740E-03 0.7001 0 1
380 B 12.65300 674.00 293.26 1.0000 0.0000 1.48368E-03 0.7000 0 1
381 B 12.66000 654.00 293.23 1.0000 0.0000 1.52905E-03 0.7001 0 1
382 B 12.66700 641.00 293.19 1.0000 0.0000 1.56006E-03 0.7000 0 1
383 B 12.67400 644.00 293.15 1.0000 0.0000 1.55280E-03 0.7000 0 1
384 B 12.68100 641.00 293.11 1.0000 0.0000 1.56006E-03 0.7001 0 1
385 B 12.68800 629.00 293.07 1.0000 0.0000 1.58983E-03 0.7000 0 1
386 B 12.69500 669.00 293.03 1.0000 0.0000 1.49477E-03 0.7001 0 1
387 B 12.70200 671.00 292.99 1.0000 0.0000 1.49031E-03 0.7000 0 1
388 B 12.70900 662.00 292.95 1.0000 0.0000 1.51057E-03 0.7000 0 1
389 B 12.71600 666.00 292.91 1.0000 0.0000 1.50150E-03 0.7001 0 1
390 B 12.72300 684.00 292.88 1.0000 0.0000 1.46199E-03 0.7000 0 1
391 B 12.73000 676.00 292.84 1.0000 0.0000 1.47929E-03 0.7001 0 1
392 B 12.73700 665.00 292.80 1.0000 0.0000 1.50376E-03 0.7000 0 1
393 B 12.74400 679.00 292.76 1.0000 0.0000 1.47275E-03 0.7000 0 1
394 B 12.75100 667.00 292.72 1.0000 0.0000 1.49925E-03 0.7001 0 1
395 B 12.75800 653.00 292.68 1.0000 0.0000 1.53139E-03 0.7000 0 1
396 B 12.76500 676.00 292.64 1.0000 0.0000 1.47929E-03 0.7001 0 1
397 B 12.77200 666.00 292.60 1.0000 0.0000 1.50150E-03 0.7000 0 1
398 B 12.77900 661.00 292.56 1.0000 0.0000 1.51286E-03 0.7000 0 1
399 B 12.78600 730.00 292.53 1.0000 0.0000 1.36986E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 9
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
400 B 12.79300 657.00 292.49 1.0000 0.0000 1.52207E-03 0.7000 0 1
401 B 12.80000 661.00 292.45 1.0000 0.0000 1.51286E-03 0.7001 0 1
402 B 12.80700 662.00 292.41 1.0000 0.0000 1.51057E-03 0.7000 0 1
403 B 12.81400 690.00 292.37 1.0000 0.0000 1.44928E-03 0.7000 0 1
404 B 12.82100 683.00 292.33 1.0000 0.0000 1.46413E-03 0.7001 0 1
405 B 12.82800 668.00 292.29 1.0000 0.0000 1.49701E-03 0.7000 0 1
406 B 12.83500 692.00 292.25 1.0000 0.0000 1.44509E-03 0.7001 0 1
407 B 12.84200 692.00 292.21 1.0000 0.0000 1.44509E-03 0.7000 0 1
408 B 12.84900 669.00 292.18 1.0000 0.0000 1.49477E-03 0.7000 0 1
409 B 12.85600 670.00 292.14 1.0000 0.0000 1.49254E-03 0.7001 0 1
410 B 12.86300 662.00 292.10 1.0000 0.0000 1.51057E-03 0.7000 0 1
411 B 12.87000 670.00 292.06 1.0000 0.0000 1.49254E-03 0.7001 0 1
412 B 12.87700 664.00 292.02 1.0000 0.0000 1.50602E-03 0.7000 0 1
413 B 12.88400 621.00 291.98 1.0000 0.0000 1.61031E-03 0.7000 0 1
414 B 12.89100 680.00 291.94 1.0000 0.0000 1.47059E-03 0.7001 0 1
415 B 12.89800 667.00 291.90 1.0000 0.0000 1.49925E-03 0.7000 0 1
416 B 12.90500 651.00 291.87 1.0000 0.0000 1.53610E-03 0.7001 0 1
417 B 12.91200 648.00 291.83 1.0000 0.0000 1.54321E-03 0.7000 0 1
418 B 12.91900 653.00 291.79 1.0000 0.0000 1.53139E-03 0.7000 0 1
419 B 12.92600 683.00 291.75 1.0000 0.0000 1.46413E-03 0.7001 0 1
420 B 12.93300 666.00 291.71 1.0000 0.0000 1.50150E-03 0.7000 0 1
421 B 12.94000 665.00 291.67 1.0000 0.0000 1.50376E-03 0.7001 0 1
422 B 12.94700 673.00 291.63 1.0000 0.0000 1.48588E-03 0.7000 0 1
423 B 12.95400 696.00 291.59 1.0000 0.0000 1.43678E-03 0.7000 0 1
424 B 12.96100 705.00 291.56 1.0000 0.0000 1.41844E-03 0.7001 0 1
425 B 12.96800 671.00 291.52 1.0000 0.0000 1.49031E-03 0.7000 0 1
426 B 12.97500 679.00 291.48 1.0000 0.0000 1.47275E-03 0.7001 0 1
427 B 12.98200 669.00 291.44 1.0000 0.0000 1.49477E-03 0.7000 0 1
428 B 12.98900 719.00 291.40 1.0000 0.0000 1.39082E-03 0.7000 0 1
429 B 12.99600 693.00 291.36 1.0000 0.0000 1.44300E-03 0.7001 0 1
430 B 13.00300 714.00 291.32 1.0000 0.0000 1.40056E-03 0.7000 0 1
431 B 13.01000 692.00 291.28 1.0000 0.0000 1.44509E-03 0.7001 0 1
432 B 13.01700 649.00 291.25 1.0000 0.0000 1.54083E-03 0.7000 0 1
433 B 13.02400 685.00 291.21 1.0000 0.0000 1.45985E-03 0.7000 0 1
434 B 13.03100 689.00 291.17 1.0000 0.0000 1.45138E-03 0.7001 0 1
435 B 13.03800 679.00 291.13 1.0000 0.0000 1.47275E-03 0.7000 0 1
436 B 13.04500 692.00 291.09 1.0000 0.0000 1.44509E-03 0.7001 0 1
437 B 13.05200 690.00 291.05 1.0000 0.0000 1.44928E-03 0.7000 0 1
438 B 13.05900 662.00 291.01 1.0000 0.0000 1.51057E-03 0.7000 0 1
439 B 13.06600 686.00 290.97 1.0000 0.0000 1.45773E-03 0.7001 0 1
440 B 13.07300 714.00 290.94 1.0000 0.0000 1.40056E-03 0.7000 0 1
441 B 13.08000 697.00 290.90 1.0000 0.0000 1.43472E-03 0.7001 0 1
442 B 13.08700 702.00 290.86 1.0000 0.0000 1.42450E-03 0.7000 0 1
443 B 13.09400 698.00 290.82 1.0000 0.0000 1.43266E-03 0.7000 0 1
444 B 13.10100 685.00 290.78 1.0000 0.0000 1.45985E-03 0.7001 0 1
445 B 13.10800 742.00 290.74 1.0000 0.0000 1.34771E-03 0.7000 0 1
446 B 13.11500 709.00 290.70 1.0000 0.0000 1.41044E-03 0.7001 0 1
447 B 13.12200 700.00 290.66 1.0000 0.0000 1.42857E-03 0.7000 0 1
448 B 13.12900 731.00 290.63 1.0000 0.0000 1.36799E-03 0.7000 0 1
449 B 13.13600 696.00 290.59 1.0000 0.0000 1.43678E-03 0.7001 0 1
450 B 13.14300 697.00 290.55 1.0000 0.0000 1.43472E-03 0.7000 0 1
451 B 13.15000 699.00 290.51 1.0000 0.0000 1.43062E-03 0.7001 0 1
452 B 13.15700 726.00 290.47 1.0000 0.0000 1.37741E-03 0.7000 0 1
453 B 13.16400 723.00 290.43 1.0000 0.0000 1.38313E-03 0.7000 0 1
454 B 13.17100 702.00 290.39 1.0000 0.0000 1.42450E-03 0.7001 0 1
455 B 13.17800 683.00 290.36 1.0000 0.0000 1.46413E-03 0.7000 0 1
456 B 13.18500 683.00 290.32 1.0000 0.0000 1.46413E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 10
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
457 B 13.19200 711.00 290.28 1.0000 0.0000 1.40647E-03 0.7000 0 1
458 B 13.19900 745.00 290.24 1.0000 0.0000 1.34228E-03 0.7000 0 1
459 B 13.20600 720.00 290.20 1.0000 0.0000 1.38889E-03 0.7001 0 1
460 B 13.21300 764.00 290.16 1.0000 0.0000 1.30890E-03 0.7000 0 1
461 B 13.22000 761.00 290.12 1.0000 0.0000 1.31406E-03 0.7001 0 1
462 B 13.22700 774.00 290.08 1.0000 0.0000 1.29199E-03 0.7000 0 1
463 B 13.23400 784.00 290.05 1.0000 0.0000 1.27551E-03 0.7000 0 1
464 B 13.24100 730.00 290.01 1.0000 0.0000 1.36986E-03 0.7001 0 1
465 B 13.24800 719.00 289.97 1.0000 0.0000 1.39082E-03 0.7000 0 1
466 B 13.25500 758.00 289.93 1.0000 0.0000 1.31926E-03 0.7001 0 1
467 B 13.26200 745.00 289.89 1.0000 0.0000 1.34228E-03 0.7000 0 1
468 B 13.26900 750.00 289.85 1.0000 0.0000 1.33333E-03 0.7000 0 1
469 B 13.27600 753.00 289.81 1.0000 0.0000 1.32802E-03 0.7001 0 1
470 B 13.28300 763.00 289.78 1.0000 0.0000 1.31062E-03 0.7000 0 1
471 B 13.29000 747.00 289.74 1.0000 0.0000 1.33869E-03 0.7001 0 1
472 B 13.29700 748.00 289.70 1.0000 0.0000 1.33690E-03 0.7000 0 1
473 B 13.30400 753.00 289.66 1.0000 0.0000 1.32802E-03 0.7000 0 1
474 B 13.31100 760.00 289.62 1.0000 0.0000 1.31579E-03 0.7001 0 1
475 B 13.31800 724.00 289.58 1.0000 0.0000 1.38122E-03 0.7000 0 1
476 B 13.32500 735.00 289.54 1.0000 0.0000 1.36054E-03 0.7001 0 1
477 B 13.33200 807.00 289.51 1.0000 0.0000 1.23916E-03 0.7000 0 1
478 B 13.33900 793.00 289.47 1.0000 0.0000 1.26103E-03 0.7000 0 1
479 B 13.34600 807.00 289.43 1.0000 0.0000 1.23916E-03 0.7001 0 1
480 B 13.35300 790.00 289.39 1.0000 0.0000 1.26582E-03 0.7000 0 1
481 B 13.36000 807.00 289.35 1.0000 0.0000 1.23916E-03 0.7001 0 1
482 B 13.36700 794.00 289.31 1.0000 0.0000 1.25945E-03 0.7000 0 1
483 B 13.37400 800.00 289.27 1.0000 0.0000 1.25000E-03 0.7000 0 1
484 B 13.38100 809.00 289.23 1.0000 0.0000 1.23609E-03 0.7001 0 1
485 B 13.38800 801.00 289.20 1.0000 0.0000 1.24844E-03 0.7000 0 1
486 B 13.39500 802.00 289.16 1.0000 0.0000 1.24688E-03 0.7001 0 1
487 B 13.40200 811.00 289.12 1.0000 0.0000 1.23305E-03 0.7000 0 1
488 B 13.40900 795.00 289.08 1.0000 0.0000 1.25786E-03 0.7000 0 1
489 B 13.41600 777.00 289.04 1.0000 0.0000 1.28700E-03 0.7001 0 1
490 B 13.42300 841.00 289.00 1.0000 0.0000 1.18906E-03 0.7000 0 1
491 B 13.43000 814.00 288.96 1.0000 0.0000 1.22850E-03 0.7001 0 1
492 B 13.43700 765.00 288.93 1.0000 0.0000 1.30719E-03 0.7000 0 1
493 B 13.44400 864.00 288.89 1.0000 0.0000 1.15741E-03 0.7000 0 1
494 B 13.45100 833.00 288.85 1.0000 0.0000 1.20048E-03 0.7001 0 1
495 B 13.45800 841.00 288.81 1.0000 0.0000 1.18906E-03 0.7000 0 1
496 B 13.46500 836.00 288.77 1.0000 0.0000 1.19617E-03 0.7001 0 1
497 B 13.47200 866.00 288.73 1.0000 0.0000 1.15473E-03 0.7000 0 1
498 B 13.47900 841.00 288.70 1.0000 0.0000 1.18906E-03 0.7000 0 1
499 B 13.48600 850.00 288.66 1.0000 0.0000 1.17647E-03 0.7001 0 1
500 B 13.49300 877.00 288.62 1.0000 0.0000 1.14025E-03 0.7000 0 1
501 B 13.50000 879.00 288.58 1.0000 0.0000 1.13766E-03 0.7001 0 1
502 B 13.50700 882.00 288.54 1.0000 0.0000 1.13379E-03 0.7000 0 1
503 B 13.51400 897.00 288.50 1.0000 0.0000 1.11483E-03 0.7000 0 1
504 B 13.52100 896.00 288.46 1.0000 0.0000 1.11607E-03 0.7001 0 1
505 B 13.52800 862.00 288.43 1.0000 0.0000 1.16009E-03 0.7000 0 1
506 B 13.53500 859.00 288.39 1.0000 0.0000 1.16414E-03 0.7001 0 1
507 B 13.54200 879.00 288.35 1.0000 0.0000 1.13766E-03 0.7000 0 1
508 B 13.54900 890.00 288.31 1.0000 0.0000 1.12360E-03 0.7000 0 1
509 B 13.55600 925.00 288.27 1.0000 0.0000 1.08108E-03 0.7001 0 1
510 B 13.56300 966.00 288.23 1.0000 0.0000 1.03520E-03 0.7000 0 1
511 B 13.57000 923.00 288.19 1.0000 0.0000 1.08342E-03 0.7001 0 1
512 B 13.57700 931.00 288.16 1.0000 0.0000 1.07411E-03 0.7000 0 1
513 B 13.58400 939.00 288.12 1.0000 0.0000 1.06496E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 11
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
514 B 13.59100 967.00 288.08 1.0000 0.0000 1.03413E-03 0.7001 0 1
515 B 13.59800 955.00 288.04 1.0000 0.0000 1.04712E-03 0.7000 0 1
516 B 13.60500 952.00 288.00 1.0000 0.0000 1.05042E-03 0.7001 0 1
517 B 13.61200 960.00 287.96 1.0000 0.0000 1.04167E-03 0.7000 0 1
518 B 13.61900 1001.0 287.92 1.0000 0.0000 9.99001E-04 0.7000 0 1
519 B 13.62600 989.00 287.89 1.0000 0.0000 1.01112E-03 0.7001 0 1
520 B 13.63300 999.00 287.85 1.0000 0.0000 1.00100E-03 0.7000 0 1
521 B 13.64000 985.00 287.81 1.0000 0.0000 1.01523E-03 0.7001 0 1
522 B 13.64700 1042.0 287.77 1.0000 0.0000 9.59693E-04 0.7000 0 1
523 B 13.65400 1011.0 287.73 1.0000 0.0000 9.89120E-04 0.7000 0 1
524 B 13.66100 1035.0 287.69 1.0000 0.0000 9.66184E-04 0.7001 0 1
525 B 13.66800 1044.0 287.66 1.0000 0.0000 9.57854E-04 0.7000 0 1
526 B 13.67500 1086.0 287.62 1.0000 0.0000 9.20810E-04 0.7001 0 1
527 B 13.68200 1065.0 287.58 1.0000 0.0000 9.38967E-04 0.7000 0 1
528 B 13.68900 1062.0 287.54 1.0000 0.0000 9.41620E-04 0.7000 0 1
529 B 13.69600 1042.0 287.50 1.0000 0.0000 9.59693E-04 0.7001 0 1
530 B 13.70300 1092.0 287.46 1.0000 0.0000 9.15751E-04 0.7000 0 1
531 B 13.71000 1146.0 287.43 1.0000 0.0000 8.72600E-04 0.7001 0 1
532 B 13.71700 1134.0 287.39 1.0000 0.0000 8.81834E-04 0.7000 0 1
533 B 13.72400 1144.0 287.35 1.0000 0.0000 8.74126E-04 0.7000 0 1
534 B 13.73100 1136.0 287.31 1.0000 0.0000 8.80282E-04 0.7001 0 1
535 B 13.73800 1165.0 287.27 1.0000 0.0000 8.58369E-04 0.7000 0 1
536 B 13.74500 1136.0 287.23 1.0000 0.0000 8.80282E-04 0.7001 0 1
537 B 13.75200 1170.0 287.19 1.0000 0.0000 8.54701E-04 0.7000 0 1
538 B 13.75900 1186.0 287.16 1.0000 0.0000 8.43170E-04 0.7000 0 1
539 B 13.76600 1261.0 287.12 1.0000 0.0000 7.93021E-04 0.7001 0 1
540 B 13.77300 1256.0 287.08 1.0000 0.0000 7.96178E-04 0.7000 0 1
541 B 13.78000 1287.0 287.04 1.0000 0.0000 7.77001E-04 0.7001 0 1
542 B 13.78700 1277.0 287.00 1.0000 0.0000 7.83085E-04 0.7000 0 1
543 B 13.79400 1294.0 286.96 1.0000 0.0000 7.72798E-04 0.7000 0 1
544 B 13.80100 1301.0 286.93 1.0000 0.0000 7.68639E-04 0.7001 0 1
545 B 13.80800 1313.0 286.89 1.0000 0.0000 7.61615E-04 0.7000 0 1
546 B 13.81500 1385.0 286.85 1.0000 0.0000 7.22022E-04 0.7001 0 1
547 B 13.82200 1360.0 286.81 1.0000 0.0000 7.35294E-04 0.7000 0 1
548 B 13.82900 1335.0 286.77 1.0000 0.0000 7.49064E-04 0.7000 0 1
549 B 13.83600 1391.0 286.73 1.0000 0.0000 7.18907E-04 0.7001 0 1
550 B 13.84300 1453.0 286.70 1.0000 0.0000 6.88231E-04 0.7000 0 1
551 B 13.85000 1470.0 286.66 1.0000 0.0000 6.80272E-04 0.7001 0 1
552 B 13.85700 1493.0 286.62 1.0000 0.0000 6.69792E-04 0.7000 0 1
553 B 13.86400 1569.0 286.58 1.0000 0.0000 6.37349E-04 0.7000 0 1
554 B 13.87100 1554.0 286.54 1.0000 0.0000 6.43501E-04 0.7001 0 1
555 B 13.87800 1607.0 286.50 1.0000 0.0000 6.22278E-04 0.7000 0 1
556 B 13.88500 1633.0 286.47 1.0000 0.0000 6.12370E-04 0.7001 0 1
557 B 13.89200 1597.0 286.43 1.0000 0.0000 6.26174E-04 0.7000 0 1
558 B 13.89900 1627.0 286.39 1.0000 0.0000 6.14628E-04 0.7000 0 1
559 B 13.90600 1697.0 286.35 1.0000 0.0000 5.89275E-04 0.7001 0 1
560 B 13.91300 1779.0 286.31 1.0000 0.0000 5.62114E-04 0.7000 0 1
561 B 13.92000 1718.0 286.27 1.0000 0.0000 5.82072E-04 0.7001 0 1
562 B 13.92700 1759.0 286.23 1.0000 0.0000 5.68505E-04 0.7000 0 1
563 B 13.93400 1854.0 286.20 1.0000 0.0000 5.39374E-04 0.7000 0 1
564 B 13.94100 1841.0 286.16 1.0000 0.0000 5.43183E-04 0.7001 0 1
565 B 13.94800 1867.0 286.12 1.0000 0.0000 5.35619E-04 0.7000 0 1
566 B 13.95500 1918.0 286.08 1.0000 0.0000 5.21376E-04 0.7001 0 1
567 B 13.96200 1993.0 286.04 1.0000 0.0000 5.01756E-04 0.7000 0 1
568 . 13.96900 2065.0 294.52 1.0000 0.0000 4.84261E-04 0.7000 1 1
569 . 13.97600 2034.0 295.27 1.0000 0.0000 4.91642E-04 0.7001 1 1
570 . 13.98300 2099.0 296.14 1.0000 0.0000 4.76417E-04 0.7000 1 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 12
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
571 . 13.99000 2119.0 297.15 1.0000 0.0000 4.71921E-04 0.7001 1 1
572 . 13.99700 2180.0 298.32 1.0000 0.0000 4.58716E-04 0.7000 1 1
573 . 14.00400 2276.0 303.94 1.0000 0.0000 4.39367E-04 0.7000 1 2
574 . 14.01100 2341.0 305.97 1.0000 0.0000 4.27168E-04 0.7001 1 2
575 . 14.01800 2389.0 308.43 1.0000 0.0000 4.18585E-04 0.7000 1 2
576 . 14.02500 2479.0 311.48 1.0000 0.0000 4.03388E-04 0.7001 1 2
577 . 14.03200 2482.0 315.53 1.0000 0.0000 4.02901E-04 0.7000 1 2
578 . 14.03900 2637.0 321.39 1.0000 0.0000 3.79219E-04 0.7000 1 2
579 . 14.04600 2713.0 330.73 1.0000 0.0000 3.68596E-04 0.7001 1 2
580 . 14.05300 2794.0 346.68 1.0000 0.0000 3.57910E-04 0.7000 1 2
581 . 14.06000 2844.0 374.58 1.0000 0.0000 3.51617E-04 0.7001 1 2
582 . 14.06700 2912.0 422.51 1.0000 0.0000 3.43407E-04 0.7000 1 2
583 . 14.07400 2964.0 500.81 1.0000 0.0000 3.37382E-04 0.7000 1 2
584 . 14.08100 3115.0 620.25 1.0000 0.0000 3.21027E-04 0.7001 1 2
585 . 14.08800 3279.0 788.19 1.0000 0.0000 3.04971E-04 0.7000 1 2
586 . 14.09500 3315.0 1004.0 1.0000 0.0000 3.01659E-04 0.7001 1 2
587 . 14.10200 3511.0 1254.8 1.0000 0.0000 2.84819E-04 0.7000 1 2
588 . 14.10900 3617.0 1514.1 1.0000 0.0000 2.76472E-04 0.7000 1 2
589 . 14.11600 3711.0 1743.7 1.0000 0.0000 2.69469E-04 0.7001 1 2
590 .1 14.12300 3715.0 1902.0 1.0000 0.0000 2.69179E-04 0.7000 1 2
591 . 14.13000 3911.0 1963.2 1.0000 0.0000 2.55689E-04 0.7001 1 2
592 . 14.13700 4008.0 1931.4 1.0000 0.0000 2.49501E-04 0.7000 1 2
593 . 14.14400 4146.0 1831.5 1.0000 0.0000 2.41196E-04 0.7000 1 2
594 . 14.15100 4370.0 1687.3 1.0000 0.0000 2.28833E-04 0.7001 1 2
595 .1 14.15800 4589.0 1512.7 1.0000 0.0000 2.17912E-04 0.7000 1 2
596 . 14.16500 4653.0 1317.4 1.0000 0.0000 2.14915E-04 0.7001 1 2
597 . 14.17200 4780.0 1115.0 1.0000 0.0000 2.09205E-04 0.7000 1 2
598 . 14.17900 5058.0 922.36 1.0000 0.0000 1.97707E-04 0.7000 1 2
599 . 14.18600 5162.0 752.80 1.0000 0.0000 1.93723E-04 0.7001 1 2
600 . 14.19300 5390.0 614.10 1.0000 0.0000 1.85529E-04 0.7000 1 2
601 . 14.20000 5774.0 508.35 1.0000 0.0000 1.73190E-04 0.7001 1 2
602 . 14.20700 5991.0 433.15 1.0000 0.0000 1.66917E-04 0.7000 1 2
603 . 14.21400 6057.0 383.13 1.0000 0.0000 1.65098E-04 0.7000 1 2
604 . 14.22100 6245.0 351.71 1.0000 0.0000 1.60128E-04 0.7001 1 2
605 . 14.22800 6613.0 332.76 1.0000 0.0000 1.51217E-04 0.7000 1 2
606 . 14.23500 6788.0 321.46 1.0000 0.0000 1.47319E-04 0.7001 1 2
607 . 14.24200 6981.0 314.51 1.0000 0.0000 1.43246E-04 0.7000 1 2
608 . 14.24900 7349.0 309.94 1.0000 0.0000 1.36073E-04 0.7000 1 2
609 . 14.25600 7719.0 306.66 1.0000 0.0000 1.29550E-04 0.7001 1 2
610 . 14.26300 7913.0 304.11 1.0000 0.0000 1.26374E-04 0.7000 1 2
611 . 14.27000 8022.0 302.03 1.0000 0.0000 1.24657E-04 0.7001 1 2
612 . 14.27700 8224.0 291.50 1.0000 0.0000 1.21595E-04 0.7000 2 1
613 . 14.28400 8622.0 290.72 1.0000 0.0000 1.15982E-04 0.7000 2 1
614 . 14.29100 8948.0 290.04 1.0000 0.0000 1.11757E-04 0.7001 2 1
615 . 14.29800 9313.0 289.46 1.0000 0.0000 1.07377E-04 0.7000 2 1
616 . 14.30500 9317.0 288.95 1.0000 0.0000 1.07331E-04 0.7001 2 1
617 B 14.31200 9686.0 284.13 1.0000 0.0000 1.03242E-04 0.7000 0 1
618 B 14.31900 10046. 284.09 1.0000 0.0000 9.95421E-05 0.7000 0 1
619 B 14.32600 10143. 284.05 1.0000 0.0000 9.85902E-05 0.7001 0 1
620 B 14.33300 10339. 284.02 1.0000 0.0000 9.67212E-05 0.7000 0 1
621 B 14.34000 10450. 283.98 1.0000 0.0000 9.56938E-05 0.7001 0 1
622 B 14.34700 10681. 283.94 1.0000 0.0000 9.36242E-05 0.7000 0 1
623 B 14.35400 10804. 283.90 1.0000 0.0000 9.25583E-05 0.7000 0 1
624 B 14.36100 11017. 283.86 1.0000 0.0000 9.07688E-05 0.7001 0 1
625 B 14.36800 11122. 283.83 1.0000 0.0000 8.99119E-05 0.7000 0 1
626 B 14.37500 11097. 283.79 1.0000 0.0000 9.01144E-05 0.7001 0 1
627 B 14.38200 11259. 283.75 1.0000 0.0000 8.88178E-05 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 13
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
628 B 14.38900 11188. 283.71 1.0000 0.0000 8.93815E-05 0.7000 0 1
629 B 14.39600 11295. 283.67 1.0000 0.0000 8.85347E-05 0.7001 0 1
630 B 14.40300 11043. 283.63 1.0000 0.0000 9.05551E-05 0.7000 0 1
631 B 14.41000 10844. 283.60 1.0000 0.0000 9.22169E-05 0.7001 0 1
632 B 14.41700 10841. 283.56 1.0000 0.0000 9.22424E-05 0.7000 0 1
633 B 14.42400 10752. 283.52 1.0000 0.0000 9.30060E-05 0.7000 0 1
634 B 14.43100 10562. 283.48 1.0000 0.0000 9.46790E-05 0.7001 0 1
635 B 14.43800 10348. 283.44 1.0000 0.0000 9.66370E-05 0.7000 0 1
636 B 14.44500 10170. 283.41 1.0000 0.0000 9.83284E-05 0.7001 0 1
637 B 14.45200 9707.0 283.37 1.0000 0.0000 1.03018E-04 0.7000 0 1
638 B 14.45900 9484.0 283.33 1.0000 0.0000 1.05441E-04 0.7000 0 1
639 B 14.46600 9363.0 283.29 1.0000 0.0000 1.06803E-04 0.7001 0 1
640 B 14.47300 8977.0 283.25 1.0000 0.0000 1.11396E-04 0.7000 0 1
641 B 14.48000 8709.0 283.22 1.0000 0.0000 1.14824E-04 0.7001 0 1
642 B 14.48700 8412.0 283.18 1.0000 0.0000 1.18878E-04 0.7000 0 1
643 B 14.49400 8030.0 283.14 1.0000 0.0000 1.24533E-04 0.7000 0 1
644 B 14.50100 7652.0 283.10 1.0000 0.0000 1.30685E-04 0.7001 0 1
645 B 14.50800 7606.0 283.06 1.0000 0.0000 1.31475E-04 0.7000 0 1
646 B 14.51500 7229.0 283.03 1.0000 0.0000 1.38332E-04 0.7001 0 1
647 B 14.52200 6865.0 282.99 1.0000 0.0000 1.45666E-04 0.7000 0 1
648 B 14.52900 6596.0 282.95 1.0000 0.0000 1.51607E-04 0.7000 0 1
649 B 14.53600 6233.0 282.91 1.0000 0.0000 1.60436E-04 0.7001 0 1
650 B 14.54300 5973.0 282.87 1.0000 0.0000 1.67420E-04 0.7000 0 1
651 B 14.55000 5755.0 282.83 1.0000 0.0000 1.73762E-04 0.7001 0 1
652 B 14.55700 5525.0 282.80 1.0000 0.0000 1.80995E-04 0.7000 0 1
653 B 14.56400 5225.0 282.76 1.0000 0.0000 1.91388E-04 0.7000 0 1
654 B 14.57100 5006.0 282.72 1.0000 0.0000 1.99760E-04 0.7001 0 1
655 B 14.57800 4824.0 282.68 1.0000 0.0000 2.07297E-04 0.7000 0 1
656 B 14.58500 4603.0 282.64 1.0000 0.0000 2.17250E-04 0.7001 0 1
657 B 14.59200 4171.0 282.61 1.0000 0.0000 2.39751E-04 0.7000 0 1
658 B 14.59900 4213.0 282.57 1.0000 0.0000 2.37361E-04 0.7000 0 1
659 B 14.60600 3931.0 282.53 1.0000 0.0000 2.54388E-04 0.7001 0 1
660 B 14.61300 3699.0 282.49 1.0000 0.0000 2.70343E-04 0.7000 0 1
661 B 14.62000 3619.0 282.45 1.0000 0.0000 2.76319E-04 0.7001 0 1
662 B 14.62700 3349.0 282.42 1.0000 0.0000 2.98597E-04 0.7000 0 1
663 B 14.63400 3346.0 282.38 1.0000 0.0000 2.98864E-04 0.7000 0 1
664 B 14.64100 3121.0 282.34 1.0000 0.0000 3.20410E-04 0.7001 0 1
665 B 14.64800 2948.0 282.30 1.0000 0.0000 3.39213E-04 0.7000 0 1
666 B 14.65500 2877.0 282.26 1.0000 0.0000 3.47584E-04 0.7001 0 1
667 B 14.66200 2773.0 282.23 1.0000 0.0000 3.60620E-04 0.7000 0 1
668 B 14.66900 2680.0 282.19 1.0000 0.0000 3.73134E-04 0.7000 0 1
669 B 14.67600 2589.0 282.15 1.0000 0.0000 3.86250E-04 0.7001 0 1
670 B 14.68300 2543.0 282.11 1.0000 0.0000 3.93236E-04 0.7000 0 1
671 B 14.69000 2405.0 282.07 1.0000 0.0000 4.15800E-04 0.7001 0 1
672 B 14.69700 2384.0 282.04 1.0000 0.0000 4.19463E-04 0.7000 0 1
673 B 14.70400 2220.0 282.00 1.0000 0.0000 4.50450E-04 0.7000 0 1
674 B 14.71100 2133.0 281.96 1.0000 0.0000 4.68823E-04 0.7001 0 1
675 B 14.71800 2121.0 281.92 1.0000 0.0000 4.71476E-04 0.7000 0 1
676 B 14.72500 1987.0 281.88 1.0000 0.0000 5.03271E-04 0.7001 0 1
677 B 14.73200 1933.0 281.85 1.0000 0.0000 5.17331E-04 0.7000 0 1
678 B 14.73900 1994.0 281.81 1.0000 0.0000 5.01505E-04 0.7000 0 1
679 B 14.74600 1837.0 281.77 1.0000 0.0000 5.44366E-04 0.7001 0 1
680 B 14.75300 1777.0 281.73 1.0000 0.0000 5.62746E-04 0.7000 0 1
681 B 14.76000 1743.0 281.69 1.0000 0.0000 5.73723E-04 0.7001 0 1
682 B 14.76700 1668.0 281.66 1.0000 0.0000 5.99520E-04 0.7000 0 1
683 B 14.77400 1633.0 281.62 1.0000 0.0000 6.12370E-04 0.7000 0 1
684 B 14.78100 1564.0 281.58 1.0000 0.0000 6.39386E-04 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 14
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
685 B 14.78800 1499.0 281.54 1.0000 0.0000 6.67111E-04 0.7000 0 1
686 B 14.79500 1459.0 281.50 1.0000 0.0000 6.85401E-04 0.7001 0 1
687 B 14.80200 1454.0 281.47 1.0000 0.0000 6.87758E-04 0.7000 0 1
688 B 14.80900 1418.0 281.43 1.0000 0.0000 7.05219E-04 0.7000 0 1
689 B 14.81600 1368.0 281.39 1.0000 0.0000 7.30994E-04 0.7001 0 1
690 B 14.82300 1336.0 281.35 1.0000 0.0000 7.48503E-04 0.7000 0 1
691 B 14.83000 1305.0 281.31 1.0000 0.0000 7.66284E-04 0.7001 0 1
692 B 14.83700 1280.0 281.28 1.0000 0.0000 7.81250E-04 0.7000 0 1
693 B 14.84400 1238.0 281.24 1.0000 0.0000 8.07754E-04 0.7000 0 1
694 B 14.85100 1234.0 281.20 1.0000 0.0000 8.10373E-04 0.7001 0 1
695 B 14.85800 1245.0 281.16 1.0000 0.0000 8.03213E-04 0.7000 0 1
696 B 14.86500 1142.0 281.12 1.0000 0.0000 8.75657E-04 0.7001 0 1
697 B 14.87200 1097.0 281.09 1.0000 0.0000 9.11577E-04 0.7000 0 1
698 B 14.87900 1156.0 281.05 1.0000 0.0000 8.65052E-04 0.7000 0 1
699 B 14.88600 1133.0 281.01 1.0000 0.0000 8.82613E-04 0.7001 0 1
700 B 14.89300 1094.0 280.97 1.0000 0.0000 9.14077E-04 0.7000 0 1
701 B 14.90000 1022.0 280.94 1.0000 0.0000 9.78474E-04 0.7001 0 1
702 B 14.90700 1057.0 280.90 1.0000 0.0000 9.46074E-04 0.7000 0 1
703 B 14.91400 1044.0 280.86 1.0000 0.0000 9.57854E-04 0.7000 0 1
704 B 14.92100 949.00 280.82 1.0000 0.0000 1.05374E-03 0.7001 0 1
705 B 14.92800 988.00 280.78 1.0000 0.0000 1.01215E-03 0.7000 0 1
706 B 14.93500 1033.0 280.75 1.0000 0.0000 9.68054E-04 0.7001 0 1
707 B 14.94200 965.00 280.71 1.0000 0.0000 1.03627E-03 0.7000 0 1
708 B 14.94900 985.00 280.67 1.0000 0.0000 1.01523E-03 0.7000 0 1
709 B 14.95600 950.00 280.63 1.0000 0.0000 1.05263E-03 0.7001 0 1
710 B 14.96300 841.00 280.59 1.0000 0.0000 1.18906E-03 0.7000 0 1
711 B 14.97000 875.00 280.56 1.0000 0.0000 1.14286E-03 0.7001 0 1
712 B 14.97700 889.00 280.52 1.0000 0.0000 1.12486E-03 0.7000 0 1
713 B 14.98400 887.00 280.48 1.0000 0.0000 1.12740E-03 0.7000 0 1
714 B 14.99100 826.00 280.44 1.0000 0.0000 1.21065E-03 0.7001 0 1
715 B 14.99800 866.00 280.40 1.0000 0.0000 1.15473E-03 0.7000 0 1
716 B 15.00500 830.00 280.37 1.0000 0.0000 1.20482E-03 0.7001 0 1
717 B 15.01200 808.00 280.33 1.0000 0.0000 1.23762E-03 0.7000 0 1
718 B 15.01900 844.00 280.29 1.0000 0.0000 1.18483E-03 0.7000 0 1
719 B 15.02600 828.00 280.25 1.0000 0.0000 1.20773E-03 0.7001 0 1
720 B 15.03300 765.00 280.22 1.0000 0.0000 1.30719E-03 0.7000 0 1
721 B 15.04000 753.00 280.18 1.0000 0.0000 1.32802E-03 0.7001 0 1
722 B 15.04700 804.00 280.14 1.0000 0.0000 1.24378E-03 0.7000 0 1
723 B 15.05400 767.00 280.10 1.0000 0.0000 1.30378E-03 0.7000 0 1
724 B 15.06100 783.00 280.06 1.0000 0.0000 1.27714E-03 0.7001 0 1
725 B 15.06800 799.00 280.03 1.0000 0.0000 1.25156E-03 0.7000 0 1
726 B 15.07500 736.00 279.99 1.0000 0.0000 1.35870E-03 0.7001 0 1
727 B 15.08200 753.00 279.95 1.0000 0.0000 1.32802E-03 0.7000 0 1
728 B 15.08900 747.00 279.91 1.0000 0.0000 1.33869E-03 0.7000 0 1
729 B 15.09600 719.00 279.87 1.0000 0.0000 1.39082E-03 0.7001 0 1
730 B 15.10300 743.00 279.84 1.0000 0.0000 1.34589E-03 0.7000 0 1
731 B 15.11000 702.00 279.80 1.0000 0.0000 1.42450E-03 0.7001 0 1
732 B 15.11700 702.00 279.76 1.0000 0.0000 1.42450E-03 0.7000 0 1
733 B 15.12400 717.00 279.72 1.0000 0.0000 1.39470E-03 0.7000 0 1
734 B 15.13100 700.00 279.69 1.0000 0.0000 1.42857E-03 0.7001 0 1
735 B 15.13800 669.00 279.65 1.0000 0.0000 1.49477E-03 0.7000 0 1
736 B 15.14500 707.00 279.61 1.0000 0.0000 1.41443E-03 0.7001 0 1
737 B 15.15200 709.00 279.57 1.0000 0.0000 1.41044E-03 0.7000 0 1
738 B 15.15900 656.00 279.53 1.0000 0.0000 1.52439E-03 0.7000 0 1
739 B 15.16600 644.00 279.50 1.0000 0.0000 1.55280E-03 0.7001 0 1
740 B 15.17300 648.00 279.46 1.0000 0.0000 1.54321E-03 0.7000 0 1
741 B 15.18000 670.00 279.42 1.0000 0.0000 1.49254E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 15
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
742 B 15.18700 639.00 279.38 1.0000 0.0000 1.56495E-03 0.7000 0 1
743 B 15.19400 650.00 279.35 1.0000 0.0000 1.53846E-03 0.7000 0 1
744 B 15.20100 665.00 279.31 1.0000 0.0000 1.50376E-03 0.7001 0 1
745 B 15.20800 634.00 279.27 1.0000 0.0000 1.57729E-03 0.7000 0 1
746 B 15.21500 599.00 279.23 1.0000 0.0000 1.66945E-03 0.7001 0 1
747 B 15.22200 626.00 279.19 1.0000 0.0000 1.59744E-03 0.7000 0 1
748 B 15.22900 612.00 279.16 1.0000 0.0000 1.63399E-03 0.7000 0 1
749 B 15.23600 626.00 279.12 1.0000 0.0000 1.59744E-03 0.7001 0 1
750 B 15.24300 631.00 279.08 1.0000 0.0000 1.58479E-03 0.7000 0 1
751 B 15.25000 617.00 279.04 1.0000 0.0000 1.62075E-03 0.7001 0 1
752 B 15.25700 622.00 279.01 1.0000 0.0000 1.60772E-03 0.7000 0 1
753 B 15.26400 656.00 278.97 1.0000 0.0000 1.52439E-03 0.7000 0 1
754 B 15.27100 596.00 278.93 1.0000 0.0000 1.67785E-03 0.7001 0 1
755 B 15.27800 584.00 278.89 1.0000 0.0000 1.71233E-03 0.7000 0 1
756 B 15.28500 616.00 278.85 1.0000 0.0000 1.62338E-03 0.7001 0 1
757 B 15.29200 580.00 278.82 1.0000 0.0000 1.72414E-03 0.7000 0 1
758 B 15.29900 565.00 278.78 1.0000 0.0000 1.76991E-03 0.7000 0 1
759 B 15.30600 571.00 278.74 1.0000 0.0000 1.75131E-03 0.7001 0 1
760 B 15.31300 606.00 278.70 1.0000 0.0000 1.65017E-03 0.7000 0 1
761 B 15.32000 591.00 278.67 1.0000 0.0000 1.69205E-03 0.7001 0 1
762 B 15.32700 599.00 278.63 1.0000 0.0000 1.66945E-03 0.7000 0 1
763 B 15.33400 574.00 278.59 1.0000 0.0000 1.74216E-03 0.7000 0 1
764 B 15.34100 565.00 278.55 1.0000 0.0000 1.76991E-03 0.7001 0 1
765 B 15.34800 567.00 278.52 1.0000 0.0000 1.76367E-03 0.7000 0 1
766 B 15.35500 569.00 278.48 1.0000 0.0000 1.75747E-03 0.7001 0 1
767 B 15.36200 536.00 278.44 1.0000 0.0000 1.86567E-03 0.7000 0 1
768 B 15.36900 578.00 278.40 1.0000 0.0000 1.73010E-03 0.7000 0 1
769 B 15.37600 543.00 278.36 1.0000 0.0000 1.84162E-03 0.7001 0 1
770 B 15.38300 555.00 278.33 1.0000 0.0000 1.80180E-03 0.7000 0 1
771 B 15.39000 552.00 278.29 1.0000 0.0000 1.81159E-03 0.7001 0 1
772 B 15.39700 522.00 278.25 1.0000 0.0000 1.91571E-03 0.7000 0 1
773 B 15.40400 509.00 278.21 1.0000 0.0000 1.96464E-03 0.7000 0 1
774 B 15.41100 518.00 278.18 1.0000 0.0000 1.93050E-03 0.7001 0 1
775 B 15.41800 526.00 278.14 1.0000 0.0000 1.90114E-03 0.7000 0 1
776 B 15.42500 520.00 278.10 1.0000 0.0000 1.92308E-03 0.7001 0 1
777 B 15.43200 550.00 278.06 1.0000 0.0000 1.81818E-03 0.7000 0 1
778 B 15.43900 535.00 278.02 1.0000 0.0000 1.86916E-03 0.7000 0 1
779 B 15.44600 543.00 277.99 1.0000 0.0000 1.84162E-03 0.7001 0 1
780 B 15.45300 514.00 277.95 1.0000 0.0000 1.94553E-03 0.7000 0 1
781 B 15.46000 519.00 277.91 1.0000 0.0000 1.92678E-03 0.7001 0 1
782 B 15.46700 480.00 277.87 1.0000 0.0000 2.08333E-03 0.7000 0 1
783 B 15.47400 517.00 277.84 1.0000 0.0000 1.93424E-03 0.7000 0 1
784 B 15.48100 516.00 277.80 1.0000 0.0000 1.93798E-03 0.7001 0 1
785 B 15.48800 520.00 277.76 1.0000 0.0000 1.92308E-03 0.7000 0 1
786 B 15.49500 514.00 277.72 1.0000 0.0000 1.94553E-03 0.7001 0 1
787 B 15.50200 504.00 277.69 1.0000 0.0000 1.98413E-03 0.7000 0 1
788 B 15.50900 482.00 277.65 1.0000 0.0000 2.07469E-03 0.7000 0 1
789 B 15.51600 508.00 277.61 1.0000 0.0000 1.96850E-03 0.7001 0 1
790 B 15.52300 503.00 277.57 1.0000 0.0000 1.98807E-03 0.7000 0 1
791 B 15.53000 501.00 277.54 1.0000 0.0000 1.99601E-03 0.7001 0 1
792 B 15.53700 481.00 277.50 1.0000 0.0000 2.07900E-03 0.7000 0 1
793 B 15.54400 489.00 277.46 1.0000 0.0000 2.04499E-03 0.7000 0 1
794 B 15.55100 478.00 277.42 1.0000 0.0000 2.09205E-03 0.7001 0 1
795 B 15.55800 526.00 277.38 1.0000 0.0000 1.90114E-03 0.7000 0 1
796 B 15.56500 536.00 277.35 1.0000 0.0000 1.86567E-03 0.7001 0 1
797 B 15.57200 509.00 277.31 1.0000 0.0000 1.96464E-03 0.7000 0 1
798 B 15.57900 541.00 277.27 1.0000 0.0000 1.84843E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 16
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
799 B 15.58600 463.00 277.23 1.0000 0.0000 2.15983E-03 0.7001 0 1
800 B 15.59300 468.00 277.20 1.0000 0.0000 2.13675E-03 0.7000 0 1
801 B 15.60000 474.00 277.16 1.0000 0.0000 2.10970E-03 0.7001 0 1
802 B 15.60700 519.00 277.12 1.0000 0.0000 1.92678E-03 0.7000 0 1
803 B 15.61400 496.00 277.08 1.0000 0.0000 2.01613E-03 0.7000 0 1
804 B 15.62100 476.00 277.05 1.0000 0.0000 2.10084E-03 0.7001 0 1
805 B 15.62800 486.00 277.01 1.0000 0.0000 2.05761E-03 0.7000 0 1
806 B 15.63500 454.00 276.97 1.0000 0.0000 2.20264E-03 0.7001 0 1
807 B 15.64200 455.00 276.93 1.0000 0.0000 2.19780E-03 0.7000 0 1
808 B 15.64900 458.00 276.90 1.0000 0.0000 2.18341E-03 0.7000 0 1
809 B 15.65600 463.00 276.86 1.0000 0.0000 2.15983E-03 0.7001 0 1
810 B 15.66300 446.00 276.82 1.0000 0.0000 2.24215E-03 0.7000 0 1
811 B 15.67000 496.00 276.78 1.0000 0.0000 2.01613E-03 0.7001 0 1
812 B 15.67700 448.00 276.75 1.0000 0.0000 2.23214E-03 0.7000 0 1
813 B 15.68400 472.00 276.71 1.0000 0.0000 2.11864E-03 0.7000 0 1
814 B 15.69100 512.00 276.67 1.0000 0.0000 1.95313E-03 0.7001 0 1
815 B 15.69800 513.00 276.63 1.0000 0.0000 1.94932E-03 0.7000 0 1
816 B 15.70500 478.00 276.60 1.0000 0.0000 2.09205E-03 0.7001 0 1
817 B 15.71200 468.00 276.56 1.0000 0.0000 2.13675E-03 0.7000 0 1
818 B 15.71900 494.00 276.52 1.0000 0.0000 2.02429E-03 0.7000 0 1
819 B 15.72600 468.00 276.48 1.0000 0.0000 2.13675E-03 0.7001 0 1
820 B 15.73300 461.00 276.45 1.0000 0.0000 2.16920E-03 0.7000 0 1
821 B 15.74000 499.00 276.41 1.0000 0.0000 2.00401E-03 0.7001 0 1
822 B 15.74700 477.00 276.37 1.0000 0.0000 2.09644E-03 0.7000 0 1
823 B 15.75400 446.00 276.33 1.0000 0.0000 2.24215E-03 0.7000 0 1
824 B 15.76100 452.00 276.30 1.0000 0.0000 2.21239E-03 0.7001 0 1
825 B 15.76800 449.00 276.26 1.0000 0.0000 2.22717E-03 0.7000 0 1
826 B 15.77500 438.00 276.22 1.0000 0.0000 2.28310E-03 0.7001 0 1
827 B 15.78200 487.00 276.18 1.0000 0.0000 2.05339E-03 0.7000 0 1
828 B 15.78900 450.00 276.14 1.0000 0.0000 2.22222E-03 0.7000 0 1
829 B 15.79600 474.00 276.11 1.0000 0.0000 2.10970E-03 0.7001 0 1
830 B 15.80300 495.00 276.07 1.0000 0.0000 2.02020E-03 0.7000 0 1
831 B 15.81000 474.00 276.03 1.0000 0.0000 2.10970E-03 0.7001 0 1
832 B 15.81700 456.00 275.99 1.0000 0.0000 2.19298E-03 0.7000 0 1
833 B 15.82400 442.00 275.96 1.0000 0.0000 2.26244E-03 0.7000 0 1
834 B 15.83100 436.00 275.92 1.0000 0.0000 2.29358E-03 0.7001 0 1
835 B 15.83800 436.00 275.88 1.0000 0.0000 2.29358E-03 0.7000 0 1
836 B 15.84500 445.00 275.84 1.0000 0.0000 2.24719E-03 0.7001 0 1
837 B 15.85200 415.00 275.81 1.0000 0.0000 2.40964E-03 0.7000 0 1
838 B 15.85900 386.00 275.77 1.0000 0.0000 2.59067E-03 0.7000 0 1
839 B 15.86600 436.00 275.73 1.0000 0.0000 2.29358E-03 0.7001 0 1
840 B 15.87300 437.00 275.69 1.0000 0.0000 2.28833E-03 0.7000 0 1
841 B 15.88000 411.00 275.66 1.0000 0.0000 2.43309E-03 0.7001 0 1
842 B 15.88700 404.00 275.62 1.0000 0.0000 2.47525E-03 0.7000 0 1
843 B 15.89400 477.00 275.58 1.0000 0.0000 2.09644E-03 0.7000 0 1
844 B 15.90100 443.00 275.54 1.0000 0.0000 2.25734E-03 0.7001 0 1
845 B 15.90800 439.00 275.51 1.0000 0.0000 2.27790E-03 0.7000 0 1
846 B 15.91500 447.00 275.47 1.0000 0.0000 2.23714E-03 0.7001 0 1
847 B 15.92200 462.00 275.43 1.0000 0.0000 2.16450E-03 0.7000 0 1
848 B 15.92900 443.00 275.40 1.0000 0.0000 2.25734E-03 0.7000 0 1
849 B 15.93600 429.00 275.36 1.0000 0.0000 2.33100E-03 0.7001 0 1
850 B 15.94300 425.00 275.32 1.0000 0.0000 2.35294E-03 0.7000 0 1
851 B 15.95000 417.00 275.28 1.0000 0.0000 2.39808E-03 0.7001 0 1
852 B 15.95700 434.00 275.25 1.0000 0.0000 2.30415E-03 0.7000 0 1
853 B 15.96400 426.00 275.21 1.0000 0.0000 2.34742E-03 0.7000 0 1
854 B 15.97100 420.00 275.17 1.0000 0.0000 2.38095E-03 0.7001 0 1
855 B 15.97800 421.00 275.13 1.0000 0.0000 2.37530E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 17
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
856 B 15.98500 443.00 275.10 1.0000 0.0000 2.25734E-03 0.7001 0 1
857 B 15.99200 454.00 275.06 1.0000 0.0000 2.20264E-03 0.7000 0 1
858 B 15.99900 445.00 275.02 1.0000 0.0000 2.24719E-03 0.7000 0 1
859 B 16.00600 444.00 274.98 1.0000 0.0000 2.25225E-03 0.7001 0 1
860 B 16.01300 402.00 274.95 1.0000 0.0000 2.48756E-03 0.7000 0 1
861 B 16.02000 420.00 274.91 1.0000 0.0000 2.38095E-03 0.7001 0 1
862 B 16.02700 412.00 274.87 1.0000 0.0000 2.42718E-03 0.7000 0 1
863 B 16.03400 411.00 274.83 1.0000 0.0000 2.43309E-03 0.7000 0 1
864 B 16.04100 402.00 274.80 1.0000 0.0000 2.48756E-03 0.7001 0 1
865 B 16.04800 429.00 274.76 1.0000 0.0000 2.33100E-03 0.7000 0 1
866 B 16.05500 429.00 274.72 1.0000 0.0000 2.33100E-03 0.7001 0 1
867 B 16.06200 413.00 274.68 1.0000 0.0000 2.42131E-03 0.7000 0 1
868 B 16.06900 408.00 274.65 1.0000 0.0000 2.45098E-03 0.7000 0 1
869 B 16.07600 422.00 274.61 1.0000 0.0000 2.36967E-03 0.7001 0 1
870 B 16.08300 399.00 274.57 1.0000 0.0000 2.50627E-03 0.7000 0 1
871 B 16.09000 419.00 274.53 1.0000 0.0000 2.38663E-03 0.7001 0 1
872 B 16.09700 435.00 274.50 1.0000 0.0000 2.29885E-03 0.7000 0 1
873 B 16.10400 413.00 274.46 1.0000 0.0000 2.42131E-03 0.7000 0 1
874 B 16.11100 397.00 274.42 1.0000 0.0000 2.51889E-03 0.7001 0 1
875 B 16.11800 415.00 274.38 1.0000 0.0000 2.40964E-03 0.7000 0 1
876 B 16.12500 445.00 274.35 1.0000 0.0000 2.24719E-03 0.7001 0 1
877 B 16.13200 402.00 274.31 1.0000 0.0000 2.48756E-03 0.7000 0 1
878 B 16.13900 428.00 274.27 1.0000 0.0000 2.33645E-03 0.7000 0 1
879 B 16.14600 388.00 274.24 1.0000 0.0000 2.57732E-03 0.7001 0 1
880 B 16.15300 399.00 274.20 1.0000 0.0000 2.50627E-03 0.7000 0 1
881 B 16.16000 432.00 274.16 1.0000 0.0000 2.31481E-03 0.7001 0 1
882 B 16.16700 423.00 274.12 1.0000 0.0000 2.36407E-03 0.7000 0 1
883 B 16.17400 391.00 274.09 1.0000 0.0000 2.55754E-03 0.7000 0 1
884 B 16.18100 410.00 274.05 1.0000 0.0000 2.43902E-03 0.7001 0 1
885 B 16.18800 410.00 274.01 1.0000 0.0000 2.43902E-03 0.7000 0 1
886 B 16.19500 418.00 273.97 1.0000 0.0000 2.39234E-03 0.7001 0 1
887 B 16.20200 437.00 273.94 1.0000 0.0000 2.28833E-03 0.7000 0 1
888 B 16.20900 371.00 273.90 1.0000 0.0000 2.69542E-03 0.7000 0 1
889 B 16.21600 392.00 273.86 1.0000 0.0000 2.55102E-03 0.7001 0 1
890 B 16.22300 387.00 273.82 1.0000 0.0000 2.58398E-03 0.7000 0 1
891 B 16.23000 404.00 273.79 1.0000 0.0000 2.47525E-03 0.7001 0 1
892 B 16.23700 376.00 273.75 1.0000 0.0000 2.65957E-03 0.7000 0 1
893 B 16.24400 415.00 273.71 1.0000 0.0000 2.40964E-03 0.7000 0 1
894 B 16.25100 392.00 273.68 1.0000 0.0000 2.55102E-03 0.7001 0 1
895 B 16.25800 404.00 273.64 1.0000 0.0000 2.47525E-03 0.7000 0 1
896 B 16.26500 399.00 273.60 1.0000 0.0000 2.50627E-03 0.7001 0 1
897 B 16.27200 371.00 273.56 1.0000 0.0000 2.69542E-03 0.7000 0 1
898 B 16.27900 391.00 273.53 1.0000 0.0000 2.55754E-03 0.7000 0 1
899 B 16.28600 380.00 273.49 1.0000 0.0000 2.63158E-03 0.7001 0 1
900 B 16.29300 379.00 273.45 1.0000 0.0000 2.63852E-03 0.7000 0 1
901 B 16.30000 385.00 273.41 1.0000 0.0000 2.59740E-03 0.7001 0 1
902 B 16.30700 386.00 273.38 1.0000 0.0000 2.59067E-03 0.7000 0 1
903 B 16.31400 415.00 273.34 1.0000 0.0000 2.40964E-03 0.7000 0 1
904 B 16.32100 388.00 273.30 1.0000 0.0000 2.57732E-03 0.7001 0 1
905 B 16.32800 403.00 273.26 1.0000 0.0000 2.48139E-03 0.7000 0 1
906 B 16.33500 412.00 273.23 1.0000 0.0000 2.42718E-03 0.7001 0 1
907 B 16.34200 399.00 273.19 1.0000 0.0000 2.50627E-03 0.7000 0 1
908 B 16.34900 401.00 273.15 1.0000 0.0000 2.49377E-03 0.7000 0 1
909 B 16.35600 391.00 273.12 1.0000 0.0000 2.55754E-03 0.7001 0 1
910 B 16.36300 391.00 273.08 1.0000 0.0000 2.55754E-03 0.7000 0 1
911 B 16.37000 419.00 273.04 1.0000 0.0000 2.38663E-03 0.7001 0 1
912 B 16.37700 421.00 273.00 1.0000 0.0000 2.37530E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 18
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
913 B 16.38400 434.00 272.97 1.0000 0.0000 2.30415E-03 0.7000 0 1
914 B 16.39100 408.00 272.93 1.0000 0.0000 2.45098E-03 0.7001 0 1
915 B 16.39800 397.00 272.89 1.0000 0.0000 2.51889E-03 0.7000 0 1
916 B 16.40500 409.00 272.85 1.0000 0.0000 2.44499E-03 0.7001 0 1
917 B 16.41200 391.00 272.82 1.0000 0.0000 2.55754E-03 0.7000 0 1
918 B 16.41900 408.00 272.78 1.0000 0.0000 2.45098E-03 0.7000 0 1
919 B 16.42600 392.00 272.74 1.0000 0.0000 2.55102E-03 0.7001 0 1
920 B 16.43300 423.00 272.71 1.0000 0.0000 2.36407E-03 0.7000 0 1
921 B 16.44000 399.00 272.67 1.0000 0.0000 2.50627E-03 0.7001 0 1
922 B 16.44700 374.00 272.63 1.0000 0.0000 2.67380E-03 0.7000 0 1
923 B 16.45400 397.00 272.59 1.0000 0.0000 2.51889E-03 0.7000 0 1
924 B 16.46100 386.00 272.56 1.0000 0.0000 2.59067E-03 0.7001 0 1
925 B 16.46800 363.00 272.52 1.0000 0.0000 2.75482E-03 0.7000 0 1
926 B 16.47500 383.00 272.48 1.0000 0.0000 2.61097E-03 0.7001 0 1
927 B 16.48200 382.00 272.45 1.0000 0.0000 2.61780E-03 0.7000 0 1
928 B 16.48900 380.00 272.41 1.0000 0.0000 2.63158E-03 0.7000 0 1
929 B 16.49600 381.00 272.37 1.0000 0.0000 2.62467E-03 0.7001 0 1
930 B 16.50300 381.00 272.33 1.0000 0.0000 2.62467E-03 0.7000 0 1
931 B 16.51000 389.00 272.30 1.0000 0.0000 2.57069E-03 0.7001 0 1
932 B 16.51700 381.00 272.26 1.0000 0.0000 2.62467E-03 0.7000 0 1
933 B 16.52400 380.00 272.22 1.0000 0.0000 2.63158E-03 0.7000 0 1
934 B 16.53100 410.00 272.18 1.0000 0.0000 2.43902E-03 0.7001 0 1
935 B 16.53800 373.00 272.15 1.0000 0.0000 2.68097E-03 0.7000 0 1
936 B 16.54500 344.00 272.11 1.0000 0.0000 2.90698E-03 0.7001 0 1
937 B 16.55200 385.00 272.07 1.0000 0.0000 2.59740E-03 0.7000 0 1
938 B 16.55900 366.00 272.04 1.0000 0.0000 2.73224E-03 0.7000 0 1
939 B 16.56600 390.00 272.00 1.0000 0.0000 2.56410E-03 0.7001 0 1
940 B 16.57300 358.00 271.96 1.0000 0.0000 2.79330E-03 0.7000 0 1
941 B 16.58000 342.00 271.92 1.0000 0.0000 2.92398E-03 0.7001 0 1
942 B 16.58700 383.00 271.89 1.0000 0.0000 2.61097E-03 0.7000 0 1
943 B 16.59400 402.00 271.85 1.0000 0.0000 2.48756E-03 0.7000 0 1
944 B 16.60100 368.00 271.81 1.0000 0.0000 2.71739E-03 0.7001 0 1
945 B 16.60800 380.00 271.78 1.0000 0.0000 2.63158E-03 0.7000 0 1
946 B 16.61500 400.00 271.74 1.0000 0.0000 2.50000E-03 0.7001 0 1
947 B 16.62200 370.00 271.70 1.0000 0.0000 2.70270E-03 0.7000 0 1
948 B 16.62900 391.00 271.66 1.0000 0.0000 2.55754E-03 0.7000 0 1
949 B 16.63600 398.00 271.63 1.0000 0.0000 2.51256E-03 0.7001 0 1
950 B 16.64300 366.00 271.59 1.0000 0.0000 2.73224E-03 0.7000 0 1
951 B 16.65000 395.00 271.55 1.0000 0.0000 2.53165E-03 0.7001 0 1
952 B 16.65700 378.00 271.52 1.0000 0.0000 2.64550E-03 0.7000 0 1
953 B 16.66400 364.00 271.48 1.0000 0.0000 2.74725E-03 0.7000 0 1
954 B 16.67100 350.00 271.44 1.0000 0.0000 2.85714E-03 0.7001 0 1
955 B 16.67800 357.00 271.40 1.0000 0.0000 2.80112E-03 0.7000 0 1
956 B 16.68500 397.00 271.37 1.0000 0.0000 2.51889E-03 0.7001 0 1
957 B 16.69200 378.00 271.33 1.0000 0.0000 2.64550E-03 0.7000 0 1
958 B 16.69900 380.00 271.29 1.0000 0.0000 2.63158E-03 0.7000 0 1
959 B 16.70600 386.00 271.26 1.0000 0.0000 2.59067E-03 0.7001 0 1
960 B 16.71300 378.00 271.22 1.0000 0.0000 2.64550E-03 0.7000 0 1
961 B 16.72000 388.00 271.18 1.0000 0.0000 2.57732E-03 0.7001 0 1
962 B 16.72700 351.00 271.14 1.0000 0.0000 2.84900E-03 0.7000 0 1
963 B 16.73400 371.00 271.11 1.0000 0.0000 2.69542E-03 0.7000 0 1
964 B 16.74100 346.00 271.07 1.0000 0.0000 2.89017E-03 0.7001 0 1
965 B 16.74800 409.00 271.03 1.0000 0.0000 2.44499E-03 0.7000 0 1
966 B 16.75500 341.00 271.00 1.0000 0.0000 2.93255E-03 0.7001 0 1
967 B 16.76200 328.00 270.96 1.0000 0.0000 3.04878E-03 0.7000 0 1
968 B 16.76900 337.00 270.92 1.0000 0.0000 2.96736E-03 0.7000 0 1
969 B 16.77600 379.00 270.88 1.0000 0.0000 2.63852E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 19
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
970 B 16.78300 355.00 270.85 1.0000 0.0000 2.81690E-03 0.7000 0 1
971 B 16.79000 366.00 270.81 1.0000 0.0000 2.73224E-03 0.7001 0 1
972 B 16.79700 368.00 270.77 1.0000 0.0000 2.71739E-03 0.7000 0 1
973 B 16.80400 345.00 270.74 1.0000 0.0000 2.89855E-03 0.7000 0 1
974 B 16.81100 338.00 270.70 1.0000 0.0000 2.95858E-03 0.7001 0 1
975 B 16.81800 345.00 270.66 1.0000 0.0000 2.89855E-03 0.7000 0 1
976 B 16.82500 389.00 270.63 1.0000 0.0000 2.57069E-03 0.7001 0 1
977 B 16.83200 384.00 270.59 1.0000 0.0000 2.60417E-03 0.7000 0 1
978 B 16.83900 373.00 270.55 1.0000 0.0000 2.68097E-03 0.7000 0 1
979 B 16.84600 364.00 270.51 1.0000 0.0000 2.74725E-03 0.7001 0 1
980 B 16.85300 382.00 270.48 1.0000 0.0000 2.61780E-03 0.7000 0 1
981 B 16.86000 357.00 270.44 1.0000 0.0000 2.80112E-03 0.7001 0 1
982 B 16.86700 389.00 270.40 1.0000 0.0000 2.57069E-03 0.7000 0 1
983 B 16.87400 370.00 270.37 1.0000 0.0000 2.70270E-03 0.7000 0 1
984 B 16.88100 348.00 270.33 1.0000 0.0000 2.87356E-03 0.7001 0 1
985 B 16.88800 336.00 270.29 1.0000 0.0000 2.97619E-03 0.7000 0 1
986 B 16.89500 336.00 270.25 1.0000 0.0000 2.97619E-03 0.7001 0 1
987 B 16.90200 369.00 270.22 1.0000 0.0000 2.71003E-03 0.7000 0 1
988 B 16.90900 368.00 270.18 1.0000 0.0000 2.71739E-03 0.7000 0 1
989 B 16.91600 358.00 270.14 1.0000 0.0000 2.79330E-03 0.7001 0 1
990 B 16.92300 370.00 270.11 1.0000 0.0000 2.70270E-03 0.7000 0 1
991 B 16.93000 372.00 270.07 1.0000 0.0000 2.68817E-03 0.7001 0 1
992 B 16.93700 386.00 270.03 1.0000 0.0000 2.59067E-03 0.7000 0 1
993 B 16.94400 362.00 270.00 1.0000 0.0000 2.76243E-03 0.7000 0 1
994 B 16.95100 340.00 269.96 1.0000 0.0000 2.94118E-03 0.7001 0 1
995 B 16.95800 368.00 269.92 1.0000 0.0000 2.71739E-03 0.7000 0 1
996 B 16.96500 386.00 269.88 1.0000 0.0000 2.59067E-03 0.7001 0 1
997 B 16.97200 384.00 269.85 1.0000 0.0000 2.60417E-03 0.7000 0 1
998 B 16.97900 363.00 269.81 1.0000 0.0000 2.75482E-03 0.7000 0 1
999 B 16.98600 355.00 269.77 1.0000 0.0000 2.81690E-03 0.7001 0 1
1000 B 16.99300 359.00 269.74 1.0000 0.0000 2.78552E-03 0.7000 0 1
1001 B 17.00000 358.00 269.70 1.0000 0.0000 2.79330E-03 0.7001 0 1
1002 B 17.00700 357.00 269.66 1.0000 0.0000 2.80112E-03 0.7000 0 1
1003 B 17.01400 353.00 269.63 1.0000 0.0000 2.83286E-03 0.7000 0 1
1004 B 17.02100 372.00 269.59 1.0000 0.0000 2.68817E-03 0.7001 0 1
1005 B 17.02800 372.00 269.55 1.0000 0.0000 2.68817E-03 0.7000 0 1
1006 B 17.03500 345.00 269.51 1.0000 0.0000 2.89855E-03 0.7001 0 1
1007 B 17.04200 347.00 269.48 1.0000 0.0000 2.88184E-03 0.7000 0 1
1008 B 17.04900 338.00 269.44 1.0000 0.0000 2.95858E-03 0.7000 0 1
1009 B 17.05600 354.00 269.40 1.0000 0.0000 2.82486E-03 0.7001 0 1
1010 B 17.06300 342.00 269.37 1.0000 0.0000 2.92398E-03 0.7000 0 1
1011 B 17.07000 340.00 269.33 1.0000 0.0000 2.94118E-03 0.7001 0 1
1012 B 17.07700 336.00 269.29 1.0000 0.0000 2.97619E-03 0.7000 0 1
1013 B 17.08400 360.00 269.26 1.0000 0.0000 2.77778E-03 0.7000 0 1
1014 B 17.09100 335.00 269.22 1.0000 0.0000 2.98507E-03 0.7001 0 1
1015 B 17.09800 325.00 269.18 1.0000 0.0000 3.07692E-03 0.7000 0 1
1016 B 17.10500 355.00 269.14 1.0000 0.0000 2.81690E-03 0.7001 0 1
1017 B 17.11200 343.00 269.11 1.0000 0.0000 2.91545E-03 0.7000 0 1
1018 B 17.11900 360.00 269.07 1.0000 0.0000 2.77778E-03 0.7000 0 1
1019 B 17.12600 343.00 269.03 1.0000 0.0000 2.91545E-03 0.7001 0 1
1020 B 17.13300 343.00 269.00 1.0000 0.0000 2.91545E-03 0.7000 0 1
1021 B 17.14000 352.00 268.96 1.0000 0.0000 2.84091E-03 0.7001 0 1
1022 B 17.14700 354.00 268.92 1.0000 0.0000 2.82486E-03 0.7000 0 1
1023 B 17.15400 356.00 268.89 1.0000 0.0000 2.80899E-03 0.7000 0 1
1024 B 17.16100 337.00 268.85 1.0000 0.0000 2.96736E-03 0.7001 0 1
1025 B 17.16800 349.00 268.81 1.0000 0.0000 2.86533E-03 0.7000 0 1
1026 B 17.17500 338.00 268.78 1.0000 0.0000 2.95858E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 20
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1027 B 17.18200 339.00 268.74 1.0000 0.0000 2.94985E-03 0.7000 0 1
1028 B 17.18900 351.00 268.70 1.0000 0.0000 2.84900E-03 0.7000 0 1
1029 B 17.19600 348.00 268.66 1.0000 0.0000 2.87356E-03 0.7001 0 1
1030 B 17.20300 367.00 268.63 1.0000 0.0000 2.72480E-03 0.7000 0 1
1031 B 17.21000 368.00 268.59 1.0000 0.0000 2.71739E-03 0.7001 0 1
1032 B 17.21700 340.00 268.55 1.0000 0.0000 2.94118E-03 0.7000 0 1
1033 B 17.22400 349.00 268.52 1.0000 0.0000 2.86533E-03 0.7000 0 1
1034 B 17.23100 341.00 268.48 1.0000 0.0000 2.93255E-03 0.7001 0 1
1035 B 17.23800 329.00 268.44 1.0000 0.0000 3.03951E-03 0.7000 0 1
1036 B 17.24500 335.00 268.41 1.0000 0.0000 2.98507E-03 0.7001 0 1
1037 B 17.25200 351.00 268.37 1.0000 0.0000 2.84900E-03 0.7000 0 1
1038 B 17.25900 359.00 268.33 1.0000 0.0000 2.78552E-03 0.7000 0 1
1039 B 17.26600 353.00 268.30 1.0000 0.0000 2.83286E-03 0.7001 0 1
1040 B 17.27300 351.00 268.26 1.0000 0.0000 2.84900E-03 0.7000 0 1
1041 B 17.28000 324.00 268.22 1.0000 0.0000 3.08642E-03 0.7001 0 1
1042 B 17.28700 334.00 268.19 1.0000 0.0000 2.99401E-03 0.7000 0 1
1043 B 17.29400 354.00 268.15 1.0000 0.0000 2.82486E-03 0.7000 0 1
1044 B 17.30100 342.00 268.11 1.0000 0.0000 2.92398E-03 0.7001 0 1
1045 B 17.30800 356.00 268.07 1.0000 0.0000 2.80899E-03 0.7000 0 1
1046 B 17.31500 336.00 268.04 1.0000 0.0000 2.97619E-03 0.7001 0 1
1047 B 17.32200 333.00 268.00 1.0000 0.0000 3.00300E-03 0.7000 0 1
1048 B 17.32900 344.00 267.96 1.0000 0.0000 2.90698E-03 0.7000 0 1
1049 B 17.33600 328.00 267.93 1.0000 0.0000 3.04878E-03 0.7001 0 1
1050 B 17.34300 327.00 267.89 1.0000 0.0000 3.05810E-03 0.7000 0 1
1051 B 17.35000 322.00 267.85 1.0000 0.0000 3.10559E-03 0.7001 0 1
1052 B 17.35700 318.00 267.82 1.0000 0.0000 3.14465E-03 0.7000 0 1
1053 B 17.36400 314.00 267.78 1.0000 0.0000 3.18471E-03 0.7000 0 1
1054 B 17.37100 331.00 267.74 1.0000 0.0000 3.02115E-03 0.7001 0 1
1055 B 17.37800 365.00 267.71 1.0000 0.0000 2.73973E-03 0.7000 0 1
1056 B 17.38500 347.00 267.67 1.0000 0.0000 2.88184E-03 0.7001 0 1
1057 B 17.39200 328.00 267.63 1.0000 0.0000 3.04878E-03 0.7000 0 1
1058 B 17.39900 329.00 267.60 1.0000 0.0000 3.03951E-03 0.7000 0 1
1059 B 17.40600 328.00 267.56 1.0000 0.0000 3.04878E-03 0.7001 0 1
1060 B 17.41300 328.00 267.52 1.0000 0.0000 3.04878E-03 0.7000 0 1
1061 B 17.42000 350.00 267.49 1.0000 0.0000 2.85714E-03 0.7001 0 1
1062 B 17.42700 331.00 267.45 1.0000 0.0000 3.02115E-03 0.7000 0 1
1063 B 17.43400 334.00 267.41 1.0000 0.0000 2.99401E-03 0.7000 0 1
1064 B 17.44100 335.00 267.38 1.0000 0.0000 2.98507E-03 0.7001 0 1
1065 B 17.44800 352.00 267.34 1.0000 0.0000 2.84091E-03 0.7000 0 1
1066 B 17.45500 347.00 267.30 1.0000 0.0000 2.88184E-03 0.7001 0 1
1067 B 17.46200 342.00 267.26 1.0000 0.0000 2.92398E-03 0.7000 0 1
1068 B 17.46900 347.00 267.23 1.0000 0.0000 2.88184E-03 0.7000 0 1
1069 B 17.47600 353.00 267.19 1.0000 0.0000 2.83286E-03 0.7001 0 1
1070 B 17.48300 347.00 267.15 1.0000 0.0000 2.88184E-03 0.7000 0 1
1071 B 17.49000 301.00 267.12 1.0000 0.0000 3.32226E-03 0.7001 0 1
1072 B 17.49700 326.00 267.08 1.0000 0.0000 3.06748E-03 0.7000 0 1
1073 B 17.50400 337.00 267.04 1.0000 0.0000 2.96736E-03 0.7000 0 1
1074 B 17.51100 311.00 267.01 1.0000 0.0000 3.21543E-03 0.7001 0 1
1075 B 17.51800 312.00 266.97 1.0000 0.0000 3.20513E-03 0.7000 0 1
1076 B 17.52500 358.00 266.93 1.0000 0.0000 2.79330E-03 0.7001 0 1
1077 B 17.53200 325.00 266.90 1.0000 0.0000 3.07692E-03 0.7000 0 1
1078 B 17.53900 325.00 266.86 1.0000 0.0000 3.07692E-03 0.7000 0 1
1079 B 17.54600 324.00 266.82 1.0000 0.0000 3.08642E-03 0.7001 0 1
1080 B 17.55300 328.00 266.79 1.0000 0.0000 3.04878E-03 0.7000 0 1
1081 B 17.56000 323.00 266.75 1.0000 0.0000 3.09598E-03 0.7001 0 1
1082 B 17.56700 326.00 266.71 1.0000 0.0000 3.06748E-03 0.7000 0 1
1083 B 17.57400 335.00 266.68 1.0000 0.0000 2.98507E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 21
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1084 B 17.58100 336.00 266.64 1.0000 0.0000 2.97619E-03 0.7001 0 1
1085 B 17.58800 329.00 266.60 1.0000 0.0000 3.03951E-03 0.7000 0 1
1086 B 17.59500 330.00 266.57 1.0000 0.0000 3.03030E-03 0.7001 0 1
1087 B 17.60200 318.00 266.53 1.0000 0.0000 3.14465E-03 0.7000 0 1
1088 B 17.60900 319.00 266.49 1.0000 0.0000 3.13480E-03 0.7000 0 1
1089 B 17.61600 335.00 266.46 1.0000 0.0000 2.98507E-03 0.7001 0 1
1090 B 17.62300 358.00 266.42 1.0000 0.0000 2.79330E-03 0.7000 0 1
1091 B 17.63000 354.00 266.38 1.0000 0.0000 2.82486E-03 0.7001 0 1
1092 B 17.63700 318.00 266.35 1.0000 0.0000 3.14465E-03 0.7000 0 1
1093 B 17.64400 330.00 266.31 1.0000 0.0000 3.03030E-03 0.7000 0 1
1094 B 17.65100 310.00 266.27 1.0000 0.0000 3.22581E-03 0.7001 0 1
1095 B 17.65800 329.00 266.24 1.0000 0.0000 3.03951E-03 0.7000 0 1
1096 B 17.66500 326.00 266.20 1.0000 0.0000 3.06748E-03 0.7001 0 1
1097 B 17.67200 321.00 266.16 1.0000 0.0000 3.11526E-03 0.7000 0 1
1098 B 17.67900 323.00 266.13 1.0000 0.0000 3.09598E-03 0.7000 0 1
1099 B 17.68600 327.00 266.09 1.0000 0.0000 3.05810E-03 0.7001 0 1
1100 B 17.69300 354.00 266.05 1.0000 0.0000 2.82486E-03 0.7000 0 1
1101 B 17.70000 304.00 266.02 1.0000 0.0000 3.28947E-03 0.7001 0 1
1102 B 17.70700 309.00 265.98 1.0000 0.0000 3.23625E-03 0.7000 0 1
1103 B 17.71400 318.00 265.94 1.0000 0.0000 3.14465E-03 0.7000 0 1
1104 B 17.72100 305.00 265.91 1.0000 0.0000 3.27869E-03 0.7001 0 1
1105 B 17.72800 309.00 265.87 1.0000 0.0000 3.23625E-03 0.7000 0 1
1106 B 17.73500 325.00 265.83 1.0000 0.0000 3.07692E-03 0.7001 0 1
1107 B 17.74200 322.00 265.80 1.0000 0.0000 3.10559E-03 0.7000 0 1
1108 B 17.74900 324.00 265.76 1.0000 0.0000 3.08642E-03 0.7000 0 1
1109 B 17.75600 328.00 265.72 1.0000 0.0000 3.04878E-03 0.7001 0 1
1110 B 17.76300 325.00 265.69 1.0000 0.0000 3.07692E-03 0.7000 0 1
1111 B 17.77000 304.00 265.65 1.0000 0.0000 3.28947E-03 0.7001 0 1
1112 B 17.77700 302.00 265.61 1.0000 0.0000 3.31126E-03 0.7000 0 1
1113 B 17.78400 306.00 265.58 1.0000 0.0000 3.26797E-03 0.7000 0 1
1114 B 17.79100 299.00 265.54 1.0000 0.0000 3.34448E-03 0.7001 0 1
1115 B 17.79800 309.00 265.50 1.0000 0.0000 3.23625E-03 0.7000 0 1
1116 B 17.80500 328.00 265.47 1.0000 0.0000 3.04878E-03 0.7001 0 1
1117 B 17.81200 321.00 265.43 1.0000 0.0000 3.11526E-03 0.7000 0 1
1118 B 17.81900 305.00 265.39 1.0000 0.0000 3.27869E-03 0.7000 0 1
1119 B 17.82600 303.00 265.36 1.0000 0.0000 3.30033E-03 0.7001 0 1
1120 B 17.83300 338.00 265.32 1.0000 0.0000 2.95858E-03 0.7000 0 1
1121 B 17.84000 275.00 265.28 1.0000 0.0000 3.63636E-03 0.7001 0 1
1122 B 17.84700 339.00 265.25 1.0000 0.0000 2.94985E-03 0.7000 0 1
1123 B 17.85400 313.00 265.21 1.0000 0.0000 3.19489E-03 0.7000 0 1
1124 B 17.86100 308.00 265.17 1.0000 0.0000 3.24675E-03 0.7001 0 1
1125 B 17.86800 306.00 265.14 1.0000 0.0000 3.26797E-03 0.7000 0 1
1126 B 17.87500 331.00 265.10 1.0000 0.0000 3.02115E-03 0.7001 0 1
1127 B 17.88200 310.00 265.06 1.0000 0.0000 3.22581E-03 0.7000 0 1
1128 B 17.88900 301.00 265.03 1.0000 0.0000 3.32226E-03 0.7000 0 1
1129 B 17.89600 305.00 264.99 1.0000 0.0000 3.27869E-03 0.7001 0 1
1130 B 17.90300 304.00 264.95 1.0000 0.0000 3.28947E-03 0.7000 0 1
1131 B 17.91000 317.00 264.92 1.0000 0.0000 3.15457E-03 0.7001 0 1
1132 B 17.91700 328.00 264.88 1.0000 0.0000 3.04878E-03 0.7000 0 1
1133 B 17.92400 312.00 264.84 1.0000 0.0000 3.20513E-03 0.7000 0 1
1134 B 17.93100 320.00 264.81 1.0000 0.0000 3.12500E-03 0.7001 0 1
1135 B 17.93800 283.00 264.77 1.0000 0.0000 3.53357E-03 0.7000 0 1
1136 B 17.94500 321.00 264.73 1.0000 0.0000 3.11526E-03 0.7001 0 1
1137 B 17.95200 299.00 264.70 1.0000 0.0000 3.34448E-03 0.7000 0 1
1138 B 17.95900 338.00 264.66 1.0000 0.0000 2.95858E-03 0.7000 0 1
1139 B 17.96600 326.00 264.62 1.0000 0.0000 3.06748E-03 0.7001 0 1
1140 B 17.97300 293.00 264.59 1.0000 0.0000 3.41297E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 22
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1141 B 17.98000 295.00 264.55 1.0000 0.0000 3.38983E-03 0.7001 0 1
1142 B 17.98700 296.00 264.51 1.0000 0.0000 3.37838E-03 0.7000 0 1
1143 B 17.99400 320.00 264.48 1.0000 0.0000 3.12500E-03 0.7000 0 1
1144 B 18.00100 304.00 264.44 1.0000 0.0000 3.28947E-03 0.7001 0 1
1145 B 18.00800 313.00 264.40 1.0000 0.0000 3.19489E-03 0.7000 0 1
1146 B 18.01500 313.00 264.37 1.0000 0.0000 3.19489E-03 0.7001 0 1
1147 B 18.02200 316.00 264.33 1.0000 0.0000 3.16456E-03 0.7000 0 1
1148 B 18.02900 328.00 264.29 1.0000 0.0000 3.04878E-03 0.7000 0 1
1149 B 18.03600 330.00 264.26 1.0000 0.0000 3.03030E-03 0.7001 0 1
1150 B 18.04300 317.00 264.22 1.0000 0.0000 3.15457E-03 0.7000 0 1
1151 B 18.05000 344.00 264.19 1.0000 0.0000 2.90698E-03 0.7001 0 1
1152 B 18.05700 308.00 264.15 1.0000 0.0000 3.24675E-03 0.7000 0 1
1153 B 18.06400 303.00 264.11 1.0000 0.0000 3.30033E-03 0.7000 0 1
1154 B 18.07100 293.00 264.08 1.0000 0.0000 3.41297E-03 0.7001 0 1
1155 B 18.07800 308.00 264.04 1.0000 0.0000 3.24675E-03 0.7000 0 1
1156 B 18.08500 312.00 264.00 1.0000 0.0000 3.20513E-03 0.7001 0 1
1157 B 18.09200 302.00 263.97 1.0000 0.0000 3.31126E-03 0.7000 0 1
1158 B 18.09900 310.00 263.93 1.0000 0.0000 3.22581E-03 0.7000 0 1
1159 B 18.10600 338.00 263.89 1.0000 0.0000 2.95858E-03 0.7001 0 1
1160 B 18.11300 311.00 263.86 1.0000 0.0000 3.21543E-03 0.7000 0 1
1161 B 18.12000 295.00 263.82 1.0000 0.0000 3.38983E-03 0.7001 0 1
1162 B 18.12700 310.00 263.78 1.0000 0.0000 3.22581E-03 0.7000 0 1
1163 B 18.13400 329.00 263.75 1.0000 0.0000 3.03951E-03 0.7000 0 1
1164 B 18.14100 315.00 263.71 1.0000 0.0000 3.17460E-03 0.7001 0 1
1165 B 18.14800 291.00 263.67 1.0000 0.0000 3.43643E-03 0.7000 0 1
1166 B 18.15500 315.00 263.64 1.0000 0.0000 3.17460E-03 0.7001 0 1
1167 B 18.16200 331.00 263.60 1.0000 0.0000 3.02115E-03 0.7000 0 1
1168 B 18.16900 306.00 263.56 1.0000 0.0000 3.26797E-03 0.7000 0 1
1169 B 18.17600 302.00 263.53 1.0000 0.0000 3.31126E-03 0.7001 0 1
1170 B 18.18300 303.00 263.49 1.0000 0.0000 3.30033E-03 0.7000 0 1
1171 B 18.19000 302.00 263.46 1.0000 0.0000 3.31126E-03 0.7001 0 1
1172 B 18.19700 304.00 263.42 1.0000 0.0000 3.28947E-03 0.7000 0 1
1173 B 18.20400 305.00 263.38 1.0000 0.0000 3.27869E-03 0.7000 0 1
1174 B 18.21100 285.00 263.35 1.0000 0.0000 3.50877E-03 0.7001 0 1
1175 B 18.21800 296.00 263.31 1.0000 0.0000 3.37838E-03 0.7000 0 1
1176 B 18.22500 307.00 263.27 1.0000 0.0000 3.25733E-03 0.7001 0 1
1177 B 18.23200 288.00 263.24 1.0000 0.0000 3.47222E-03 0.7000 0 1
1178 B 18.23900 302.00 263.20 1.0000 0.0000 3.31126E-03 0.7000 0 1
1179 B 18.24600 292.00 263.16 1.0000 0.0000 3.42466E-03 0.7001 0 1
1180 B 18.25300 318.00 263.13 1.0000 0.0000 3.14465E-03 0.7000 0 1
1181 B 18.26000 317.00 263.09 1.0000 0.0000 3.15457E-03 0.7001 0 1
1182 B 18.26700 312.00 263.05 1.0000 0.0000 3.20513E-03 0.7000 0 1
1183 B 18.27400 299.00 263.02 1.0000 0.0000 3.34448E-03 0.7000 0 1
1184 B 18.28100 314.00 262.98 1.0000 0.0000 3.18471E-03 0.7001 0 1
1185 B 18.28800 324.00 262.95 1.0000 0.0000 3.08642E-03 0.7000 0 1
1186 B 18.29500 298.00 262.91 1.0000 0.0000 3.35570E-03 0.7001 0 1
1187 B 18.30200 300.00 262.87 1.0000 0.0000 3.33333E-03 0.7000 0 1
1188 B 18.30900 313.00 262.84 1.0000 0.0000 3.19489E-03 0.7000 0 1
1189 B 18.31600 299.00 262.80 1.0000 0.0000 3.34448E-03 0.7001 0 1
1190 B 18.32300 301.00 262.76 1.0000 0.0000 3.32226E-03 0.7000 0 1
1191 B 18.33000 300.00 262.73 1.0000 0.0000 3.33333E-03 0.7001 0 1
1192 B 18.33700 302.00 262.69 1.0000 0.0000 3.31126E-03 0.7000 0 1
1193 B 18.34400 304.00 262.65 1.0000 0.0000 3.28947E-03 0.7000 0 1
1194 B 18.35100 327.00 262.62 1.0000 0.0000 3.05810E-03 0.7001 0 1
1195 B 18.35800 295.00 262.58 1.0000 0.0000 3.38983E-03 0.7000 0 1
1196 B 18.36500 311.00 262.54 1.0000 0.0000 3.21543E-03 0.7001 0 1
1197 B 18.37200 296.00 262.51 1.0000 0.0000 3.37838E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 23
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1198 B 18.37900 271.00 262.47 1.0000 0.0000 3.69004E-03 0.7000 0 1
1199 B 18.38600 295.00 262.44 1.0000 0.0000 3.38983E-03 0.7001 0 1
1200 B 18.39300 296.00 262.40 1.0000 0.0000 3.37838E-03 0.7000 0 1
1201 B 18.40000 306.00 262.36 1.0000 0.0000 3.26797E-03 0.7001 0 1
1202 B 18.40700 311.00 262.33 1.0000 0.0000 3.21543E-03 0.7000 0 1
1203 B 18.41400 297.00 262.29 1.0000 0.0000 3.36700E-03 0.7000 0 1
1204 B 18.42100 298.00 262.25 1.0000 0.0000 3.35570E-03 0.7001 0 1
1205 B 18.42800 306.00 262.22 1.0000 0.0000 3.26797E-03 0.7000 0 1
1206 B 18.43500 316.00 262.18 1.0000 0.0000 3.16456E-03 0.7001 0 1
1207 B 18.44200 308.00 262.14 1.0000 0.0000 3.24675E-03 0.7000 0 1
1208 B 18.44900 318.00 262.11 1.0000 0.0000 3.14465E-03 0.7000 0 1
1209 B 18.45600 294.00 262.07 1.0000 0.0000 3.40136E-03 0.7001 0 1
1210 B 18.46300 307.00 262.04 1.0000 0.0000 3.25733E-03 0.7000 0 1
1211 B 18.47000 283.00 262.00 1.0000 0.0000 3.53357E-03 0.7001 0 1
1212 B 18.47700 313.00 261.96 1.0000 0.0000 3.19489E-03 0.7000 0 1
1213 B 18.48400 287.00 261.93 1.0000 0.0000 3.48432E-03 0.7000 0 1
1214 B 18.49100 298.00 261.89 1.0000 0.0000 3.35570E-03 0.7001 0 1
1215 B 18.49800 289.00 261.85 1.0000 0.0000 3.46021E-03 0.7000 0 1
1216 B 18.50500 266.00 261.82 1.0000 0.0000 3.75940E-03 0.7001 0 1
1217 B 18.51200 287.00 261.78 1.0000 0.0000 3.48432E-03 0.7000 0 1
1218 B 18.51900 292.00 261.74 1.0000 0.0000 3.42466E-03 0.7000 0 1
1219 B 18.52600 283.00 261.71 1.0000 0.0000 3.53357E-03 0.7001 0 1
1220 B 18.53300 276.00 261.67 1.0000 0.0000 3.62319E-03 0.7000 0 1
1221 B 18.54000 280.00 261.64 1.0000 0.0000 3.57143E-03 0.7001 0 1
1222 B 18.54700 273.00 261.60 1.0000 0.0000 3.66300E-03 0.7000 0 1
1223 B 18.55400 266.00 261.56 1.0000 0.0000 3.75940E-03 0.7000 0 1
1224 B 18.56100 284.00 261.53 1.0000 0.0000 3.52113E-03 0.7001 0 1
1225 B 18.56800 294.00 261.49 1.0000 0.0000 3.40136E-03 0.7000 0 1
1226 B 18.57500 274.00 261.45 1.0000 0.0000 3.64964E-03 0.7001 0 1
1227 B 18.58200 289.00 261.42 1.0000 0.0000 3.46021E-03 0.7000 0 1
1228 B 18.58900 270.00 261.38 1.0000 0.0000 3.70370E-03 0.7000 0 1
1229 B 18.59600 302.00 261.35 1.0000 0.0000 3.31126E-03 0.7001 0 1
1230 B 18.60300 277.00 261.31 1.0000 0.0000 3.61011E-03 0.7000 0 1
1231 B 18.61000 279.00 261.27 1.0000 0.0000 3.58423E-03 0.7001 0 1
1232 B 18.61700 283.00 261.24 1.0000 0.0000 3.53357E-03 0.7000 0 1
1233 B 18.62400 281.00 261.20 1.0000 0.0000 3.55872E-03 0.7000 0 1
1234 B 18.63100 279.00 261.16 1.0000 0.0000 3.58423E-03 0.7001 0 1
1235 B 18.63800 278.00 261.13 1.0000 0.0000 3.59712E-03 0.7000 0 1
1236 B 18.64500 283.00 261.09 1.0000 0.0000 3.53357E-03 0.7001 0 1
1237 B 18.65200 288.00 261.06 1.0000 0.0000 3.47222E-03 0.7000 0 1
1238 B 18.65900 271.00 261.02 1.0000 0.0000 3.69004E-03 0.7000 0 1
1239 B 18.66600 281.00 260.98 1.0000 0.0000 3.55872E-03 0.7001 0 1
1240 B 18.67300 265.00 260.95 1.0000 0.0000 3.77358E-03 0.7000 0 1
1241 B 18.68000 282.00 260.91 1.0000 0.0000 3.54610E-03 0.7001 0 1
1242 B 18.68700 276.00 260.87 1.0000 0.0000 3.62319E-03 0.7000 0 1
1243 B 18.69400 293.00 260.84 1.0000 0.0000 3.41297E-03 0.7000 0 1
1244 B 18.70100 280.00 260.80 1.0000 0.0000 3.57143E-03 0.7001 0 1
1245 B 18.70800 273.00 260.77 1.0000 0.0000 3.66300E-03 0.7000 0 1
1246 B 18.71500 269.00 260.73 1.0000 0.0000 3.71747E-03 0.7001 0 1
1247 B 18.72200 275.00 260.69 1.0000 0.0000 3.63636E-03 0.7000 0 1
1248 B 18.72900 294.00 260.66 1.0000 0.0000 3.40136E-03 0.7000 0 1
1249 B 18.73600 289.00 260.62 1.0000 0.0000 3.46021E-03 0.7001 0 1
1250 B 18.74300 290.00 260.58 1.0000 0.0000 3.44828E-03 0.7000 0 1
1251 B 18.75000 289.00 260.55 1.0000 0.0000 3.46021E-03 0.7001 0 1
1252 B 18.75700 269.00 260.51 1.0000 0.0000 3.71747E-03 0.7000 0 1
1253 B 18.76400 253.00 260.48 1.0000 0.0000 3.95257E-03 0.7000 0 1
1254 B 18.77100 287.00 260.44 1.0000 0.0000 3.48432E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 24
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1255 B 18.77800 280.00 260.40 1.0000 0.0000 3.57143E-03 0.7000 0 1
1256 B 18.78500 266.00 260.37 1.0000 0.0000 3.75940E-03 0.7001 0 1
1257 B 18.79200 267.00 260.33 1.0000 0.0000 3.74532E-03 0.7000 0 1
1258 B 18.79900 277.00 260.29 1.0000 0.0000 3.61011E-03 0.7000 0 1
1259 B 18.80600 282.00 260.26 1.0000 0.0000 3.54610E-03 0.7001 0 1
1260 B 18.81300 266.00 260.22 1.0000 0.0000 3.75940E-03 0.7000 0 1
1261 B 18.82000 257.00 260.19 1.0000 0.0000 3.89105E-03 0.7001 0 1
1262 B 18.82700 298.00 260.15 1.0000 0.0000 3.35570E-03 0.7000 0 1
1263 B 18.83400 269.00 260.11 1.0000 0.0000 3.71747E-03 0.7000 0 1
1264 B 18.84100 265.00 260.08 1.0000 0.0000 3.77358E-03 0.7001 0 1
1265 B 18.84800 267.00 260.04 1.0000 0.0000 3.74532E-03 0.7000 0 1
1266 B 18.85500 279.00 260.00 1.0000 0.0000 3.58423E-03 0.7001 0 1
1267 B 18.86200 285.00 259.97 1.0000 0.0000 3.50877E-03 0.7000 0 1
1268 B 18.86900 278.00 259.93 1.0000 0.0000 3.59712E-03 0.7000 0 1
1269 B 18.87600 262.00 259.90 1.0000 0.0000 3.81679E-03 0.7001 0 1
1270 B 18.88300 275.00 259.86 1.0000 0.0000 3.63636E-03 0.7000 0 1
1271 B 18.89000 244.00 259.82 1.0000 0.0000 4.09836E-03 0.7001 0 1
1272 B 18.89700 279.00 259.79 1.0000 0.0000 3.58423E-03 0.7000 0 1
1273 B 18.90400 303.00 259.75 1.0000 0.0000 3.30033E-03 0.7000 0 1
1274 B 18.91100 255.00 259.72 1.0000 0.0000 3.92157E-03 0.7001 0 1
1275 B 18.91800 244.00 259.68 1.0000 0.0000 4.09836E-03 0.7000 0 1
1276 B 18.92500 257.00 259.64 1.0000 0.0000 3.89105E-03 0.7001 0 1
1277 B 18.93200 285.00 259.61 1.0000 0.0000 3.50877E-03 0.7000 0 1
1278 B 18.93900 257.00 259.57 1.0000 0.0000 3.89105E-03 0.7000 0 1
1279 B 18.94600 276.00 259.53 1.0000 0.0000 3.62319E-03 0.7001 0 1
1280 B 18.95300 271.00 259.50 1.0000 0.0000 3.69004E-03 0.7000 0 1
1281 B 18.96000 257.00 259.46 1.0000 0.0000 3.89105E-03 0.7001 0 1
1282 B 18.96700 269.00 259.43 1.0000 0.0000 3.71747E-03 0.7000 0 1
1283 B 18.97400 272.00 259.39 1.0000 0.0000 3.67647E-03 0.7000 0 1
1284 B 18.98100 267.00 259.35 1.0000 0.0000 3.74532E-03 0.7001 0 1
1285 B 18.98800 274.00 259.32 1.0000 0.0000 3.64964E-03 0.7000 0 1
1286 B 18.99500 268.00 259.28 1.0000 0.0000 3.73134E-03 0.7001 0 1
1287 B 19.00200 283.00 259.25 1.0000 0.0000 3.53357E-03 0.7000 0 1
1288 B 19.00900 243.00 259.21 1.0000 0.0000 4.11523E-03 0.7000 0 1
1289 B 19.01600 263.00 259.17 1.0000 0.0000 3.80228E-03 0.7001 0 1
1290 B 19.02300 249.00 259.14 1.0000 0.0000 4.01606E-03 0.7000 0 1
1291 B 19.03000 288.00 259.10 1.0000 0.0000 3.47222E-03 0.7001 0 1
1292 B 19.03700 252.00 259.07 1.0000 0.0000 3.96825E-03 0.7000 0 1
1293 B 19.04400 272.00 259.03 1.0000 0.0000 3.67647E-03 0.7000 0 1
1294 B 19.05100 264.00 258.99 1.0000 0.0000 3.78788E-03 0.7001 0 1
1295 B 19.05800 249.00 258.96 1.0000 0.0000 4.01606E-03 0.7000 0 1
1296 B 19.06500 255.00 258.92 1.0000 0.0000 3.92157E-03 0.7001 0 1
1297 B 19.07200 253.00 258.88 1.0000 0.0000 3.95257E-03 0.7000 0 1
1298 B 19.07900 261.00 258.85 1.0000 0.0000 3.83142E-03 0.7000 0 1
1299 B 19.08600 256.00 258.81 1.0000 0.0000 3.90625E-03 0.7001 0 1
1300 B 19.09300 260.00 258.78 1.0000 0.0000 3.84615E-03 0.7000 0 1
1301 B 19.10000 266.00 258.74 1.0000 0.0000 3.75940E-03 0.7001 0 1
1302 B 19.10700 239.00 258.70 1.0000 0.0000 4.18410E-03 0.7000 0 1
1303 B 19.11400 242.00 258.67 1.0000 0.0000 4.13223E-03 0.7000 0 1
1304 B 19.12100 247.00 258.63 1.0000 0.0000 4.04858E-03 0.7001 0 1
1305 B 19.12800 253.00 258.60 1.0000 0.0000 3.95257E-03 0.7000 0 1
1306 B 19.13500 251.00 258.56 1.0000 0.0000 3.98406E-03 0.7001 0 1
1307 B 19.14200 251.00 258.52 1.0000 0.0000 3.98406E-03 0.7000 0 1
1308 B 19.14900 253.00 258.49 1.0000 0.0000 3.95257E-03 0.7000 0 1
1309 B 19.15600 253.00 258.45 1.0000 0.0000 3.95257E-03 0.7001 0 1
1310 B 19.16300 245.00 258.42 1.0000 0.0000 4.08163E-03 0.7000 0 1
1311 B 19.17000 246.00 258.38 1.0000 0.0000 4.06504E-03 0.7001 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 25
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1312 B 19.17700 254.00 258.34 1.0000 0.0000 3.93701E-03 0.7000 0 1
1313 B 19.18400 248.00 258.31 1.0000 0.0000 4.03226E-03 0.7000 0 1
1314 B 19.19100 250.00 258.27 1.0000 0.0000 4.00000E-03 0.7001 0 1
1315 B 19.19800 227.00 258.24 1.0000 0.0000 4.40529E-03 0.7000 0 1
1316 B 19.20500 242.00 258.20 1.0000 0.0000 4.13223E-03 0.7001 0 1
1317 B 19.21200 250.00 258.16 1.0000 0.0000 4.00000E-03 0.7000 0 1
1318 B 19.21900 245.00 258.13 1.0000 0.0000 4.08163E-03 0.7000 0 1
1319 B 19.22600 215.00 258.09 1.0000 0.0000 4.65116E-03 0.7001 0 1
1320 B 19.23300 284.00 258.06 1.0000 0.0000 3.52113E-03 0.7000 0 1
1321 B 19.24000 261.00 258.02 1.0000 0.0000 3.83142E-03 0.7001 0 1
1322 B 19.24700 264.00 257.98 1.0000 0.0000 3.78788E-03 0.7000 0 1
1323 B 19.25400 255.00 257.95 1.0000 0.0000 3.92157E-03 0.7000 0 1
1324 B 19.26100 246.00 257.91 1.0000 0.0000 4.06504E-03 0.7001 0 1
1325 B 19.26800 262.00 257.88 1.0000 0.0000 3.81679E-03 0.7000 0 1
1326 B 19.27500 261.00 257.84 1.0000 0.0000 3.83142E-03 0.7001 0 1
1327 B 19.28200 244.00 257.80 1.0000 0.0000 4.09836E-03 0.7000 0 1
1328 B 19.28900 261.00 257.77 1.0000 0.0000 3.83142E-03 0.7000 0 1
1329 B 19.29600 253.00 257.73 1.0000 0.0000 3.95257E-03 0.7001 0 1
1330 B 19.30300 263.00 257.70 1.0000 0.0000 3.80228E-03 0.7000 0 1
1331 B 19.31000 241.00 257.66 1.0000 0.0000 4.14938E-03 0.7001 0 1
1332 B 19.31700 236.00 257.62 1.0000 0.0000 4.23729E-03 0.7000 0 1
1333 B 19.32400 241.00 257.59 1.0000 0.0000 4.14938E-03 0.7000 0 1
1334 B 19.33100 247.00 257.55 1.0000 0.0000 4.04858E-03 0.7001 0 1
1335 B 19.33800 226.00 257.52 1.0000 0.0000 4.42478E-03 0.7000 0 1
1336 B 19.34500 253.00 257.48 1.0000 0.0000 3.95257E-03 0.7001 0 1
1337 B 19.35200 257.00 257.44 1.0000 0.0000 3.89105E-03 0.7000 0 1
1338 B 19.35900 253.00 257.41 1.0000 0.0000 3.95257E-03 0.7000 0 1
1339 B 19.36600 261.00 257.37 1.0000 0.0000 3.83142E-03 0.7001 0 1
1340 B 19.37300 276.00 257.34 1.0000 0.0000 3.62319E-03 0.7000 0 1
1341 B 19.38000 267.00 257.30 1.0000 0.0000 3.74532E-03 0.7001 0 1
1342 B 19.38700 240.00 257.26 1.0000 0.0000 4.16667E-03 0.7000 0 1
1343 B 19.39400 231.00 257.23 1.0000 0.0000 4.32900E-03 0.7000 0 1
1344 B 19.40100 252.00 257.19 1.0000 0.0000 3.96825E-03 0.7001 0 1
1345 B 19.40800 260.00 257.16 1.0000 0.0000 3.84615E-03 0.7000 0 1
1346 B 19.41500 245.00 257.12 1.0000 0.0000 4.08163E-03 0.7001 0 1
1347 B 19.42200 249.00 257.08 1.0000 0.0000 4.01606E-03 0.7000 0 1
1348 B 19.42900 233.00 257.05 1.0000 0.0000 4.29185E-03 0.7000 0 1
1349 B 19.43600 250.00 257.01 1.0000 0.0000 4.00000E-03 0.7001 0 1
1350 B 19.44300 261.00 256.98 1.0000 0.0000 3.83142E-03 0.7000 0 1
1351 B 19.45000 246.00 256.94 1.0000 0.0000 4.06504E-03 0.7001 0 1
1352 B 19.45700 270.00 256.90 1.0000 0.0000 3.70370E-03 0.7000 0 1
1353 B 19.46400 241.00 256.87 1.0000 0.0000 4.14938E-03 0.7000 0 1
1354 B 19.47100 258.00 256.83 1.0000 0.0000 3.87597E-03 0.7001 0 1
1355 B 19.47800 231.00 256.80 1.0000 0.0000 4.32900E-03 0.7000 0 1
1356 B 19.48500 240.00 256.76 1.0000 0.0000 4.16667E-03 0.7001 0 1
1357 B 19.49200 237.00 256.73 1.0000 0.0000 4.21941E-03 0.7000 0 1
1358 B 19.49900 228.00 256.69 1.0000 0.0000 4.38596E-03 0.7000 0 1
1359 B 19.50600 244.00 256.65 1.0000 0.0000 4.09836E-03 0.7001 0 1
1360 B 19.51300 261.00 256.62 1.0000 0.0000 3.83142E-03 0.7000 0 1
1361 B 19.52000 255.00 256.58 1.0000 0.0000 3.92157E-03 0.7001 0 1
1362 B 19.52700 257.00 256.55 1.0000 0.0000 3.89105E-03 0.7000 0 1
1363 B 19.53400 238.00 256.51 1.0000 0.0000 4.20168E-03 0.7000 0 1
1364 B 19.54100 230.00 256.47 1.0000 0.0000 4.34783E-03 0.7001 0 1
1365 B 19.54800 243.00 256.44 1.0000 0.0000 4.11523E-03 0.7000 0 1
1366 B 19.55500 241.00 256.40 1.0000 0.0000 4.14938E-03 0.7001 0 1
1367 B 19.56200 250.00 256.37 1.0000 0.0000 4.00000E-03 0.7000 0 1
1368 B 19.56900 242.00 256.33 1.0000 0.0000 4.13223E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 26
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1369 B 19.57600 236.00 256.29 1.0000 0.0000 4.23729E-03 0.7001 0 1
1370 B 19.58300 258.00 256.26 1.0000 0.0000 3.87597E-03 0.7000 0 1
1371 B 19.59000 247.00 256.22 1.0000 0.0000 4.04858E-03 0.7001 0 1
1372 B 19.59700 248.00 256.19 1.0000 0.0000 4.03226E-03 0.7000 0 1
1373 B 19.60400 251.00 256.15 1.0000 0.0000 3.98406E-03 0.7000 0 1
1374 B 19.61100 244.00 256.12 1.0000 0.0000 4.09836E-03 0.7001 0 1
1375 B 19.61800 251.00 256.08 1.0000 0.0000 3.98406E-03 0.7000 0 1
1376 B 19.62500 256.00 256.04 1.0000 0.0000 3.90625E-03 0.7001 0 1
1377 B 19.63200 273.00 256.01 1.0000 0.0000 3.66300E-03 0.7000 0 1
1378 B 19.63900 251.00 255.97 1.0000 0.0000 3.98406E-03 0.7000 0 1
1379 B 19.64600 266.00 255.94 1.0000 0.0000 3.75940E-03 0.7001 0 1
1380 B 19.65300 238.00 255.90 1.0000 0.0000 4.20168E-03 0.7000 0 1
1381 B 19.66000 255.00 255.86 1.0000 0.0000 3.92157E-03 0.7001 0 1
1382 B 19.66700 252.00 255.83 1.0000 0.0000 3.96825E-03 0.7000 0 1
1383 B 19.67400 252.00 255.79 1.0000 0.0000 3.96825E-03 0.7000 0 1
1384 B 19.68100 243.00 255.76 1.0000 0.0000 4.11523E-03 0.7001 0 1
1385 B 19.68800 251.00 255.72 1.0000 0.0000 3.98406E-03 0.7000 0 1
1386 B 19.69500 249.00 255.69 1.0000 0.0000 4.01606E-03 0.7001 0 1
1387 B 19.70200 244.00 255.65 1.0000 0.0000 4.09836E-03 0.7000 0 1
1388 B 19.70900 253.00 255.61 1.0000 0.0000 3.95257E-03 0.7000 0 1
1389 B 19.71600 230.00 255.58 1.0000 0.0000 4.34783E-03 0.7001 0 1
1390 B 19.72300 225.00 255.54 1.0000 0.0000 4.44444E-03 0.7000 0 1
1391 B 19.73000 223.00 255.51 1.0000 0.0000 4.48431E-03 0.7001 0 1
1392 B 19.73700 240.00 255.47 1.0000 0.0000 4.16667E-03 0.7000 0 1
1393 B 19.74400 245.00 255.44 1.0000 0.0000 4.08163E-03 0.7000 0 1
1394 B 19.75100 225.00 255.40 1.0000 0.0000 4.44444E-03 0.7001 0 1
1395 B 19.75800 260.00 255.36 1.0000 0.0000 3.84615E-03 0.7000 0 1
1396 B 19.76500 260.00 255.33 1.0000 0.0000 3.84615E-03 0.7001 0 1
1397 B 19.77200 233.00 255.29 1.0000 0.0000 4.29185E-03 0.7000 0 1
1398 B 19.77900 260.00 255.26 1.0000 0.0000 3.84615E-03 0.7000 0 1
1399 B 19.78600 235.00 255.22 1.0000 0.0000 4.25532E-03 0.7001 0 1
1400 B 19.79300 248.00 255.18 1.0000 0.0000 4.03226E-03 0.7000 0 1
1401 B 19.80000 220.00 255.15 1.0000 0.0000 4.54545E-03 0.7001 0 1
1402 B 19.80700 226.00 255.11 1.0000 0.0000 4.42478E-03 0.7000 0 1
1403 B 19.81400 239.00 255.08 1.0000 0.0000 4.18410E-03 0.7000 0 1
1404 B 19.82100 236.00 255.04 1.0000 0.0000 4.23729E-03 0.7001 0 1
1405 B 19.82800 244.00 255.01 1.0000 0.0000 4.09836E-03 0.7000 0 1
1406 B 19.83500 268.00 254.97 1.0000 0.0000 3.73134E-03 0.7001 0 1
1407 B 19.84200 251.00 254.93 1.0000 0.0000 3.98406E-03 0.7000 0 1
1408 B 19.84900 258.00 254.90 1.0000 0.0000 3.87597E-03 0.7000 0 1
1409 B 19.85600 248.00 254.86 1.0000 0.0000 4.03226E-03 0.7001 0 1
1410 B 19.86300 229.00 254.83 1.0000 0.0000 4.36681E-03 0.7000 0 1
1411 B 19.87000 247.00 254.79 1.0000 0.0000 4.04858E-03 0.7001 0 1
1412 B 19.87700 230.00 254.76 1.0000 0.0000 4.34783E-03 0.7000 0 1
1413 B 19.88400 264.00 254.72 1.0000 0.0000 3.78788E-03 0.7000 0 1
1414 B 19.89100 230.00 254.68 1.0000 0.0000 4.34783E-03 0.7001 0 1
1415 B 19.89800 217.00 254.65 1.0000 0.0000 4.60829E-03 0.7000 0 1
1416 B 19.90500 219.00 254.61 1.0000 0.0000 4.56621E-03 0.7001 0 1
1417 B 19.91200 246.00 254.58 1.0000 0.0000 4.06504E-03 0.7000 0 1
1418 B 19.91900 256.00 254.54 1.0000 0.0000 3.90625E-03 0.7000 0 1
1419 B 19.92600 242.00 254.51 1.0000 0.0000 4.13223E-03 0.7001 0 1
1420 B 19.93300 239.00 254.47 1.0000 0.0000 4.18410E-03 0.7000 0 1
1421 B 19.94000 252.00 254.43 1.0000 0.0000 3.96825E-03 0.7001 0 1
1422 B 19.94700 251.00 254.40 1.0000 0.0000 3.98406E-03 0.7000 0 1
1423 B 19.95400 238.00 254.36 1.0000 0.0000 4.20168E-03 0.7000 0 1
1424 B 19.96100 229.00 254.33 1.0000 0.0000 4.36681E-03 0.7001 0 1
1425 B 19.96800 227.00 254.29 1.0000 0.0000 4.40529E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 27
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1426 B 19.97500 231.00 254.26 1.0000 0.0000 4.32900E-03 0.7001 0 1
1427 B 19.98200 225.00 254.22 1.0000 0.0000 4.44444E-03 0.7000 0 1
1428 B 19.98900 247.00 254.18 1.0000 0.0000 4.04858E-03 0.7000 0 1
1429 B 19.99600 222.00 254.15 1.0000 0.0000 4.50450E-03 0.7001 0 1
1430 B 20.00300 227.00 254.11 1.0000 0.0000 4.40529E-03 0.7000 0 1
1431 B 20.01000 234.00 254.08 1.0000 0.0000 4.27350E-03 0.7001 0 1
1432 B 20.01700 232.00 254.04 1.0000 0.0000 4.31034E-03 0.7000 0 1
1433 B 20.02400 231.00 254.01 1.0000 0.0000 4.32900E-03 0.7000 0 1
1434 B 20.03100 227.00 253.97 1.0000 0.0000 4.40529E-03 0.7001 0 1
1435 B 20.03800 217.00 253.93 1.0000 0.0000 4.60829E-03 0.7000 0 1
1436 B 20.04500 224.00 253.90 1.0000 0.0000 4.46429E-03 0.7001 0 1
1437 B 20.05200 236.00 253.86 1.0000 0.0000 4.23729E-03 0.7000 0 1
1438 B 20.05900 230.00 253.83 1.0000 0.0000 4.34783E-03 0.7000 0 1
1439 B 20.06600 222.00 253.79 1.0000 0.0000 4.50450E-03 0.7001 0 1
1440 B 20.07300 233.00 253.76 1.0000 0.0000 4.29185E-03 0.7000 0 1
1441 B 20.08000 241.00 253.72 1.0000 0.0000 4.14938E-03 0.7001 0 1
1442 B 20.08700 205.00 253.69 1.0000 0.0000 4.87805E-03 0.7000 0 1
1443 B 20.09400 222.00 253.65 1.0000 0.0000 4.50450E-03 0.7000 0 1
1444 B 20.10100 226.00 253.61 1.0000 0.0000 4.42478E-03 0.7001 0 1
1445 B 20.10800 223.00 253.58 1.0000 0.0000 4.48431E-03 0.7000 0 1
1446 B 20.11500 247.00 253.54 1.0000 0.0000 4.04858E-03 0.7001 0 1
1447 B 20.12200 223.00 253.51 1.0000 0.0000 4.48431E-03 0.7000 0 1
1448 B 20.12900 225.00 253.47 1.0000 0.0000 4.44444E-03 0.7000 0 1
1449 B 20.13600 238.00 253.44 1.0000 0.0000 4.20168E-03 0.7001 0 1
1450 B 20.14300 218.00 253.40 1.0000 0.0000 4.58716E-03 0.7000 0 1
1451 B 20.15000 219.00 253.36 1.0000 0.0000 4.56621E-03 0.7001 0 1
1452 B 20.15700 233.00 253.33 1.0000 0.0000 4.29185E-03 0.7000 0 1
1453 B 20.16400 253.00 253.29 1.0000 0.0000 3.95257E-03 0.7000 0 1
1454 B 20.17100 221.00 253.26 1.0000 0.0000 4.52489E-03 0.7001 0 1
1455 B 20.17800 236.00 253.22 1.0000 0.0000 4.23729E-03 0.7000 0 1
1456 B 20.18500 216.00 253.19 1.0000 0.0000 4.62963E-03 0.7001 0 1
1457 B 20.19200 246.00 253.15 1.0000 0.0000 4.06504E-03 0.7000 0 1
1458 B 20.19900 232.00 253.12 1.0000 0.0000 4.31034E-03 0.7000 0 1
1459 B 20.20600 218.00 253.08 1.0000 0.0000 4.58716E-03 0.7001 0 1
1460 B 20.21300 226.00 253.04 1.0000 0.0000 4.42478E-03 0.7000 0 1
1461 B 20.22000 225.00 253.01 1.0000 0.0000 4.44444E-03 0.7001 0 1
1462 B 20.22700 231.00 252.97 1.0000 0.0000 4.32900E-03 0.7000 0 1
1463 B 20.23400 237.00 252.94 1.0000 0.0000 4.21941E-03 0.7000 0 1
1464 B 20.24100 229.00 252.90 1.0000 0.0000 4.36681E-03 0.7001 0 1
1465 B 20.24800 226.00 252.87 1.0000 0.0000 4.42478E-03 0.7000 0 1
1466 B 20.25500 252.00 252.83 1.0000 0.0000 3.96825E-03 0.7001 0 1
1467 B 20.26200 251.00 252.80 1.0000 0.0000 3.98406E-03 0.7000 0 1
1468 B 20.26900 239.00 252.76 1.0000 0.0000 4.18410E-03 0.7000 0 1
1469 B 20.27600 227.00 252.72 1.0000 0.0000 4.40529E-03 0.7001 0 1
1470 B 20.28300 226.00 252.69 1.0000 0.0000 4.42478E-03 0.7000 0 1
1471 B 20.29000 258.00 252.65 1.0000 0.0000 3.87597E-03 0.7001 0 1
1472 B 20.29700 230.00 252.62 1.0000 0.0000 4.34783E-03 0.7000 0 1
1473 B 20.30400 219.00 252.58 1.0000 0.0000 4.56621E-03 0.7000 0 1
1474 B 20.31100 225.00 252.55 1.0000 0.0000 4.44444E-03 0.7001 0 1
1475 B 20.31800 236.00 252.51 1.0000 0.0000 4.23729E-03 0.7000 0 1
1476 B 20.32500 225.00 252.48 1.0000 0.0000 4.44444E-03 0.7001 0 1
1477 B 20.33200 233.00 252.44 1.0000 0.0000 4.29185E-03 0.7000 0 1
1478 B 20.33900 212.00 252.40 1.0000 0.0000 4.71698E-03 0.7000 0 1
1479 B 20.34600 232.00 252.37 1.0000 0.0000 4.31034E-03 0.7001 0 1
1480 B 20.35300 251.00 252.33 1.0000 0.0000 3.98406E-03 0.7000 0 1
1481 B 20.36000 229.00 252.30 1.0000 0.0000 4.36681E-03 0.7001 0 1
1482 B 20.36700 221.00 252.26 1.0000 0.0000 4.52489E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 28
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1483 B 20.37400 229.00 252.23 1.0000 0.0000 4.36681E-03 0.7000 0 1
1484 B 20.38100 203.00 252.19 1.0000 0.0000 4.92611E-03 0.7001 0 1
1485 B 20.38800 216.00 252.16 1.0000 0.0000 4.62963E-03 0.7000 0 1
1486 B 20.39500 228.00 252.12 1.0000 0.0000 4.38596E-03 0.7001 0 1
1487 B 20.40200 229.00 252.08 1.0000 0.0000 4.36681E-03 0.7000 0 1
1488 B 20.40900 233.00 252.05 1.0000 0.0000 4.29185E-03 0.7000 0 1
1489 B 20.41600 209.00 252.01 1.0000 0.0000 4.78469E-03 0.7001 0 1
1490 B 20.42300 232.00 251.98 1.0000 0.0000 4.31034E-03 0.7000 0 1
1491 B 20.43000 209.00 251.94 1.0000 0.0000 4.78469E-03 0.7001 0 1
1492 B 20.43700 212.00 251.91 1.0000 0.0000 4.71698E-03 0.7000 0 1
1493 B 20.44400 208.00 251.87 1.0000 0.0000 4.80769E-03 0.7000 0 1
1494 B 20.45100 231.00 251.84 1.0000 0.0000 4.32900E-03 0.7001 0 1
1495 B 20.45800 218.00 251.80 1.0000 0.0000 4.58716E-03 0.7000 0 1
1496 B 20.46500 216.00 251.77 1.0000 0.0000 4.62963E-03 0.7001 0 1
1497 B 20.47200 243.00 251.73 1.0000 0.0000 4.11523E-03 0.7000 0 1
1498 B 20.47900 230.00 251.69 1.0000 0.0000 4.34783E-03 0.7001 0 1
1499 B 20.48600 229.00 251.66 1.0000 0.0000 4.36681E-03 0.7000 0 1
1500 B 20.49300 236.00 251.62 1.0000 0.0000 4.23729E-03 0.7000 0 1
1501 B 20.50000 209.00 251.59 1.0000 0.0000 4.78469E-03 0.7000 0 1
1502 B 20.50700 219.00 251.55 1.0000 0.0000 4.56621E-03 0.7002 0 1
1503 B 20.51400 236.00 251.52 1.0000 0.0000 4.23729E-03 0.7000 0 1
1504 B 20.52100 257.00 251.48 1.0000 0.0000 3.89105E-03 0.7000 0 1
1505 B 20.52800 229.00 251.45 1.0000 0.0000 4.36681E-03 0.7000 0 1
1506 B 20.53500 241.00 251.41 1.0000 0.0000 4.14938E-03 0.7000 0 1
1507 B 20.54200 241.00 251.38 1.0000 0.0000 4.14938E-03 0.7002 0 1
1508 B 20.54900 233.00 251.34 1.0000 0.0000 4.29185E-03 0.7000 0 1
1509 B 20.55600 222.00 251.30 1.0000 0.0000 4.50450E-03 0.7000 0 1
1510 B 20.56300 235.00 251.27 1.0000 0.0000 4.25532E-03 0.7000 0 1
1511 B 20.57000 240.00 251.23 1.0000 0.0000 4.16667E-03 0.7000 0 1
1512 B 20.57700 203.00 251.20 1.0000 0.0000 4.92611E-03 0.7002 0 1
1513 B 20.58400 205.00 251.16 1.0000 0.0000 4.87805E-03 0.7000 0 1
1514 B 20.59100 240.00 251.13 1.0000 0.0000 4.16667E-03 0.7000 0 1
1515 B 20.59800 226.00 251.09 1.0000 0.0000 4.42478E-03 0.7000 0 1
1516 B 20.60500 212.00 251.06 1.0000 0.0000 4.71698E-03 0.7000 0 1
1517 B 20.61200 221.00 251.02 1.0000 0.0000 4.52489E-03 0.7002 0 1
1518 B 20.61900 237.00 250.99 1.0000 0.0000 4.21941E-03 0.7000 0 1
1519 B 20.62600 225.00 250.95 1.0000 0.0000 4.44444E-03 0.7000 0 1
1520 B 20.63300 226.00 250.92 1.0000 0.0000 4.42478E-03 0.7000 0 1
1521 B 20.64000 233.00 250.88 1.0000 0.0000 4.29185E-03 0.7000 0 1
1522 B 20.64700 236.00 250.84 1.0000 0.0000 4.23729E-03 0.7002 0 1
1523 B 20.65400 229.00 250.81 1.0000 0.0000 4.36681E-03 0.7000 0 1
1524 B 20.66100 216.00 250.77 1.0000 0.0000 4.62963E-03 0.7000 0 1
1525 B 20.66800 229.00 250.74 1.0000 0.0000 4.36681E-03 0.7000 0 1
1526 B 20.67500 224.00 250.70 1.0000 0.0000 4.46429E-03 0.7000 0 1
1527 B 20.68200 221.00 250.67 1.0000 0.0000 4.52489E-03 0.7002 0 1
1528 B 20.68900 216.00 250.63 1.0000 0.0000 4.62963E-03 0.7000 0 1
1529 B 20.69600 226.00 250.60 1.0000 0.0000 4.42478E-03 0.7000 0 1
1530 B 20.70300 224.00 250.56 1.0000 0.0000 4.46429E-03 0.7000 0 1
1531 B 20.71000 235.00 250.53 1.0000 0.0000 4.25532E-03 0.7000 0 1
1532 B 20.71700 228.00 250.49 1.0000 0.0000 4.38596E-03 0.7002 0 1
1533 B 20.72400 217.00 250.46 1.0000 0.0000 4.60829E-03 0.7000 0 1
1534 B 20.73100 206.00 250.42 1.0000 0.0000 4.85437E-03 0.7000 0 1
1535 B 20.73800 210.00 250.38 1.0000 0.0000 4.76190E-03 0.7000 0 1
1536 B 20.74500 214.00 250.35 1.0000 0.0000 4.67290E-03 0.7000 0 1
1537 B 20.75200 223.00 250.31 1.0000 0.0000 4.48431E-03 0.7002 0 1
1538 B 20.75900 239.00 250.28 1.0000 0.0000 4.18410E-03 0.7000 0 1
1539 B 20.76600 256.00 250.24 1.0000 0.0000 3.90625E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 29
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1540 B 20.77300 240.00 250.21 1.0000 0.0000 4.16667E-03 0.7000 0 1
1541 B 20.78000 202.00 250.17 1.0000 0.0000 4.95049E-03 0.7000 0 1
1542 B 20.78700 221.00 250.14 1.0000 0.0000 4.52489E-03 0.7002 0 1
1543 B 20.79400 220.00 250.10 1.0000 0.0000 4.54545E-03 0.7000 0 1
1544 B 20.80100 218.00 250.07 1.0000 0.0000 4.58716E-03 0.7000 0 1
1545 B 20.80800 205.00 250.03 1.0000 0.0000 4.87805E-03 0.7000 0 1
1546 B 20.81500 204.00 250.00 1.0000 0.0000 4.90196E-03 0.7000 0 1
1547 B 20.82200 239.00 249.96 1.0000 0.0000 4.18410E-03 0.7002 0 1
1548 B 20.82900 222.00 249.93 1.0000 0.0000 4.50450E-03 0.7000 0 1
1549 B 20.83600 205.00 249.89 1.0000 0.0000 4.87805E-03 0.7000 0 1
1550 B 20.84300 229.00 249.85 1.0000 0.0000 4.36681E-03 0.7000 0 1
1551 B 20.85000 226.00 249.82 1.0000 0.0000 4.42478E-03 0.7000 0 1
1552 B 20.85700 205.00 249.78 1.0000 0.0000 4.87805E-03 0.7002 0 1
1553 B 20.86400 213.00 249.75 1.0000 0.0000 4.69484E-03 0.7000 0 1
1554 B 20.87100 226.00 249.71 1.0000 0.0000 4.42478E-03 0.7000 0 1
1555 B 20.87800 213.00 249.68 1.0000 0.0000 4.69484E-03 0.7000 0 1
1556 B 20.88500 215.00 249.64 1.0000 0.0000 4.65116E-03 0.7000 0 1
1557 B 20.89200 220.00 249.61 1.0000 0.0000 4.54545E-03 0.7002 0 1
1558 B 20.89900 216.00 249.57 1.0000 0.0000 4.62963E-03 0.7000 0 1
1559 B 20.90600 228.00 249.54 1.0000 0.0000 4.38596E-03 0.7000 0 1
1560 B 20.91300 230.00 249.50 1.0000 0.0000 4.34783E-03 0.7000 0 1
1561 B 20.92000 219.00 249.47 1.0000 0.0000 4.56621E-03 0.7000 0 1
1562 B 20.92700 220.00 249.43 1.0000 0.0000 4.54545E-03 0.7002 0 1
1563 B 20.93400 227.00 249.40 1.0000 0.0000 4.40529E-03 0.7000 0 1
1564 B 20.94100 224.00 249.36 1.0000 0.0000 4.46429E-03 0.7000 0 1
1565 B 20.94800 229.00 249.33 1.0000 0.0000 4.36681E-03 0.7000 0 1
1566 B 20.95500 234.00 249.29 1.0000 0.0000 4.27350E-03 0.7000 0 1
1567 B 20.96200 228.00 249.26 1.0000 0.0000 4.38596E-03 0.7002 0 1
1568 B 20.96900 202.00 249.22 1.0000 0.0000 4.95049E-03 0.7000 0 1
1569 B 20.97600 215.00 249.18 1.0000 0.0000 4.65116E-03 0.7000 0 1
1570 B 20.98300 219.00 249.15 1.0000 0.0000 4.56621E-03 0.7000 0 1
1571 B 20.99000 207.00 249.11 1.0000 0.0000 4.83092E-03 0.7000 0 1
1572 B 20.99700 209.00 249.08 1.0000 0.0000 4.78469E-03 0.7002 0 1
1573 B 21.00400 215.00 249.04 1.0000 0.0000 4.65116E-03 0.7000 0 1
1574 B 21.01100 211.00 249.01 1.0000 0.0000 4.73934E-03 0.7000 0 1
1575 B 21.01800 214.00 248.97 1.0000 0.0000 4.67290E-03 0.7000 0 1
1576 B 21.02500 227.00 248.94 1.0000 0.0000 4.40529E-03 0.7000 0 1
1577 B 21.03200 215.00 248.90 1.0000 0.0000 4.65116E-03 0.7002 0 1
1578 B 21.03900 203.00 248.87 1.0000 0.0000 4.92611E-03 0.7000 0 1
1579 B 21.04600 224.00 248.83 1.0000 0.0000 4.46429E-03 0.7000 0 1
1580 B 21.05300 215.00 248.80 1.0000 0.0000 4.65116E-03 0.7000 0 1
1581 B 21.06000 200.00 248.76 1.0000 0.0000 5.00000E-03 0.7000 0 1
1582 B 21.06700 206.00 248.73 1.0000 0.0000 4.85437E-03 0.7002 0 1
1583 B 21.07400 193.00 248.69 1.0000 0.0000 5.18135E-03 0.7000 0 1
1584 B 21.08100 212.00 248.66 1.0000 0.0000 4.71698E-03 0.7000 0 1
1585 B 21.08800 227.00 248.62 1.0000 0.0000 4.40529E-03 0.7000 0 1
1586 B 21.09500 195.00 248.59 1.0000 0.0000 5.12821E-03 0.7000 0 1
1587 B 21.10200 214.00 248.55 1.0000 0.0000 4.67290E-03 0.7002 0 1
1588 B 21.10900 217.00 248.52 1.0000 0.0000 4.60829E-03 0.7000 0 1
1589 B 21.11600 206.00 248.48 1.0000 0.0000 4.85437E-03 0.7000 0 1
1590 B 21.12300 203.00 248.45 1.0000 0.0000 4.92611E-03 0.7000 0 1
1591 B 21.13000 205.00 248.41 1.0000 0.0000 4.87805E-03 0.7000 0 1
1592 B 21.13700 187.00 248.37 1.0000 0.0000 5.34759E-03 0.7002 0 1
1593 B 21.14400 207.00 248.34 1.0000 0.0000 4.83092E-03 0.7000 0 1
1594 B 21.15100 216.00 248.30 1.0000 0.0000 4.62963E-03 0.7000 0 1
1595 B 21.15800 195.00 248.27 1.0000 0.0000 5.12821E-03 0.7000 0 1
1596 B 21.16500 198.00 248.23 1.0000 0.0000 5.05051E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 30
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1597 B 21.17200 214.00 248.20 1.0000 0.0000 4.67290E-03 0.7002 0 1
1598 B 21.17900 177.00 248.16 1.0000 0.0000 5.64972E-03 0.7000 0 1
1599 B 21.18600 184.00 248.13 1.0000 0.0000 5.43478E-03 0.7000 0 1
1600 B 21.19300 214.00 248.09 1.0000 0.0000 4.67290E-03 0.7000 0 1
1601 B 21.20000 217.00 248.06 1.0000 0.0000 4.60829E-03 0.7000 0 1
1602 B 21.20700 205.00 248.02 1.0000 0.0000 4.87805E-03 0.7002 0 1
1603 B 21.21400 209.00 247.99 1.0000 0.0000 4.78469E-03 0.7000 0 1
1604 B 21.22100 231.00 247.95 1.0000 0.0000 4.32900E-03 0.7000 0 1
1605 B 21.22800 223.00 247.92 1.0000 0.0000 4.48431E-03 0.7000 0 1
1606 B 21.23500 217.00 247.88 1.0000 0.0000 4.60829E-03 0.7000 0 1
1607 B 21.24200 191.00 247.85 1.0000 0.0000 5.23560E-03 0.7002 0 1
1608 B 21.24900 216.00 247.81 1.0000 0.0000 4.62963E-03 0.7000 0 1
1609 B 21.25600 205.00 247.78 1.0000 0.0000 4.87805E-03 0.7000 0 1
1610 B 21.26300 208.00 247.74 1.0000 0.0000 4.80769E-03 0.7000 0 1
1611 B 21.27000 234.00 247.71 1.0000 0.0000 4.27350E-03 0.7000 0 1
1612 B 21.27700 215.00 247.67 1.0000 0.0000 4.65116E-03 0.7002 0 1
1613 B 21.28400 215.00 247.64 1.0000 0.0000 4.65116E-03 0.7000 0 1
1614 B 21.29100 223.00 247.60 1.0000 0.0000 4.48431E-03 0.7000 0 1
1615 B 21.29800 205.00 247.57 1.0000 0.0000 4.87805E-03 0.7000 0 1
1616 B 21.30500 218.00 247.53 1.0000 0.0000 4.58716E-03 0.7000 0 1
1617 B 21.31200 212.00 247.50 1.0000 0.0000 4.71698E-03 0.7002 0 1
1618 B 21.31900 214.00 247.46 1.0000 0.0000 4.67290E-03 0.7000 0 1
1619 B 21.32600 231.00 247.43 1.0000 0.0000 4.32900E-03 0.7000 0 1
1620 B 21.33300 217.00 247.39 1.0000 0.0000 4.60829E-03 0.7000 0 1
1621 B 21.34000 204.00 247.36 1.0000 0.0000 4.90196E-03 0.7000 0 1
1622 B 21.34700 209.00 247.32 1.0000 0.0000 4.78469E-03 0.7002 0 1
1623 B 21.35400 224.00 247.29 1.0000 0.0000 4.46429E-03 0.7000 0 1
1624 B 21.36100 205.00 247.25 1.0000 0.0000 4.87805E-03 0.7000 0 1
1625 B 21.36800 184.00 247.22 1.0000 0.0000 5.43478E-03 0.7000 0 1
1626 B 21.37500 211.00 247.18 1.0000 0.0000 4.73934E-03 0.7000 0 1
1627 B 21.38200 220.00 247.15 1.0000 0.0000 4.54545E-03 0.7002 0 1
1628 B 21.38900 213.00 247.11 1.0000 0.0000 4.69484E-03 0.7000 0 1
1629 B 21.39600 199.00 247.08 1.0000 0.0000 5.02513E-03 0.7000 0 1
1630 B 21.40300 189.00 247.04 1.0000 0.0000 5.29101E-03 0.7000 0 1
1631 B 21.41000 206.00 247.01 1.0000 0.0000 4.85437E-03 0.7000 0 1
1632 B 21.41700 205.00 246.97 1.0000 0.0000 4.87805E-03 0.7002 0 1
1633 B 21.42400 203.00 246.94 1.0000 0.0000 4.92611E-03 0.7000 0 1
1634 B 21.43100 191.00 246.90 1.0000 0.0000 5.23560E-03 0.7000 0 1
1635 B 21.43800 192.00 246.87 1.0000 0.0000 5.20833E-03 0.7000 0 1
1636 B 21.44500 188.00 246.83 1.0000 0.0000 5.31915E-03 0.7000 0 1
1637 B 21.45200 219.00 246.80 1.0000 0.0000 4.56621E-03 0.7002 0 1
1638 B 21.45900 201.00 246.76 1.0000 0.0000 4.97512E-03 0.7000 0 1
1639 B 21.46600 221.00 246.72 1.0000 0.0000 4.52489E-03 0.7000 0 1
1640 B 21.47300 188.00 246.69 1.0000 0.0000 5.31915E-03 0.7000 0 1
1641 B 21.48000 215.00 246.65 1.0000 0.0000 4.65116E-03 0.7000 0 1
1642 B 21.48700 217.00 246.62 1.0000 0.0000 4.60829E-03 0.7002 0 1
1643 B 21.49400 199.00 246.58 1.0000 0.0000 5.02513E-03 0.7000 0 1
1644 B 21.50100 195.00 246.55 1.0000 0.0000 5.12821E-03 0.7000 0 1
1645 B 21.50800 197.00 246.51 1.0000 0.0000 5.07614E-03 0.7000 0 1
1646 B 21.51500 191.00 246.48 1.0000 0.0000 5.23560E-03 0.7000 0 1
1647 B 21.52200 198.00 246.44 1.0000 0.0000 5.05051E-03 0.7002 0 1
1648 B 21.52900 206.00 246.41 1.0000 0.0000 4.85437E-03 0.7000 0 1
1649 B 21.53600 210.00 246.37 1.0000 0.0000 4.76190E-03 0.7000 0 1
1650 B 21.54300 207.00 246.34 1.0000 0.0000 4.83092E-03 0.7000 0 1
1651 B 21.55000 213.00 246.30 1.0000 0.0000 4.69484E-03 0.7000 0 1
1652 B 21.55700 207.00 246.27 1.0000 0.0000 4.83092E-03 0.7002 0 1
1653 B 21.56400 205.00 246.23 1.0000 0.0000 4.87805E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 31
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1654 B 21.57100 192.00 246.20 1.0000 0.0000 5.20833E-03 0.7000 0 1
1655 B 21.57800 203.00 246.16 1.0000 0.0000 4.92611E-03 0.7000 0 1
1656 B 21.58500 198.00 246.13 1.0000 0.0000 5.05051E-03 0.7000 0 1
1657 B 21.59200 191.00 246.09 1.0000 0.0000 5.23560E-03 0.7002 0 1
1658 B 21.59900 204.00 246.06 1.0000 0.0000 4.90196E-03 0.7000 0 1
1659 B 21.60600 194.00 246.02 1.0000 0.0000 5.15464E-03 0.7000 0 1
1660 B 21.61300 191.00 245.99 1.0000 0.0000 5.23560E-03 0.7000 0 1
1661 B 21.62000 196.00 245.96 1.0000 0.0000 5.10204E-03 0.7000 0 1
1662 B 21.62700 203.00 245.92 1.0000 0.0000 4.92611E-03 0.7002 0 1
1663 B 21.63400 216.00 245.89 1.0000 0.0000 4.62963E-03 0.7000 0 1
1664 B 21.64100 201.00 245.85 1.0000 0.0000 4.97512E-03 0.7000 0 1
1665 B 21.64800 198.00 245.82 1.0000 0.0000 5.05051E-03 0.7000 0 1
1666 B 21.65500 201.00 245.78 1.0000 0.0000 4.97512E-03 0.7000 0 1
1667 B 21.66200 197.00 245.75 1.0000 0.0000 5.07614E-03 0.7002 0 1
1668 B 21.66900 196.00 245.71 1.0000 0.0000 5.10204E-03 0.7000 0 1
1669 B 21.67600 206.00 245.68 1.0000 0.0000 4.85437E-03 0.7000 0 1
1670 B 21.68300 207.00 245.64 1.0000 0.0000 4.83092E-03 0.7000 0 1
1671 B 21.69000 187.00 245.61 1.0000 0.0000 5.34759E-03 0.7000 0 1
1672 B 21.69700 199.00 245.57 1.0000 0.0000 5.02513E-03 0.7002 0 1
1673 B 21.70400 199.00 245.54 1.0000 0.0000 5.02513E-03 0.7000 0 1
1674 B 21.71100 192.00 245.50 1.0000 0.0000 5.20833E-03 0.7000 0 1
1675 B 21.71800 215.00 245.47 1.0000 0.0000 4.65116E-03 0.7000 0 1
1676 B 21.72500 195.00 245.43 1.0000 0.0000 5.12821E-03 0.7000 0 1
1677 B 21.73200 193.00 245.40 1.0000 0.0000 5.18135E-03 0.7002 0 1
1678 B 21.73900 207.00 245.36 1.0000 0.0000 4.83092E-03 0.7000 0 1
1679 B 21.74600 203.00 245.33 1.0000 0.0000 4.92611E-03 0.7000 0 1
1680 B 21.75300 187.00 245.29 1.0000 0.0000 5.34759E-03 0.7000 0 1
1681 B 21.76000 188.00 245.26 1.0000 0.0000 5.31915E-03 0.7000 0 1
1682 B 21.76700 201.00 245.22 1.0000 0.0000 4.97512E-03 0.7002 0 1
1683 B 21.77400 211.00 245.19 1.0000 0.0000 4.73934E-03 0.7000 0 1
1684 B 21.78100 193.00 245.15 1.0000 0.0000 5.18135E-03 0.7000 0 1
1685 B 21.78800 194.00 245.12 1.0000 0.0000 5.15464E-03 0.7000 0 1
1686 B 21.79500 202.00 245.08 1.0000 0.0000 4.95049E-03 0.7000 0 1
1687 B 21.80200 198.00 245.05 1.0000 0.0000 5.05051E-03 0.7002 0 1
1688 B 21.80900 201.00 245.01 1.0000 0.0000 4.97512E-03 0.7000 0 1
1689 B 21.81600 191.00 244.98 1.0000 0.0000 5.23560E-03 0.7000 0 1
1690 B 21.82300 189.00 244.94 1.0000 0.0000 5.29101E-03 0.7000 0 1
1691 B 21.83000 203.00 244.91 1.0000 0.0000 4.92611E-03 0.7000 0 1
1692 B 21.83700 203.00 244.87 1.0000 0.0000 4.92611E-03 0.7002 0 1
1693 B 21.84400 186.00 244.84 1.0000 0.0000 5.37634E-03 0.7000 0 1
1694 B 21.85100 191.00 244.80 1.0000 0.0000 5.23560E-03 0.7000 0 1
1695 B 21.85800 195.00 244.77 1.0000 0.0000 5.12821E-03 0.7000 0 1
1696 B 21.86500 200.00 244.73 1.0000 0.0000 5.00000E-03 0.7000 0 1
1697 B 21.87200 193.00 244.70 1.0000 0.0000 5.18135E-03 0.7002 0 1
1698 B 21.87900 197.00 244.66 1.0000 0.0000 5.07614E-03 0.7000 0 1
1699 B 21.88600 211.00 244.63 1.0000 0.0000 4.73934E-03 0.7000 0 1
1700 B 21.89300 177.00 244.59 1.0000 0.0000 5.64972E-03 0.7000 0 1
1701 B 21.90000 179.00 244.56 1.0000 0.0000 5.58659E-03 0.7000 0 1
1702 B 21.90700 202.00 244.52 1.0000 0.0000 4.95049E-03 0.7002 0 1
1703 B 21.91400 205.00 244.49 1.0000 0.0000 4.87805E-03 0.7000 0 1
1704 B 21.92100 192.00 244.45 1.0000 0.0000 5.20833E-03 0.7000 0 1
1705 B 21.92800 183.00 244.42 1.0000 0.0000 5.46448E-03 0.7000 0 1
1706 B 21.93500 176.00 244.38 1.0000 0.0000 5.68182E-03 0.7000 0 1
1707 B 21.94200 194.00 244.35 1.0000 0.0000 5.15464E-03 0.7002 0 1
1708 B 21.94900 186.00 244.32 1.0000 0.0000 5.37634E-03 0.7000 0 1
1709 B 21.95600 204.00 244.28 1.0000 0.0000 4.90196E-03 0.7000 0 1
1710 B 21.96300 215.00 244.25 1.0000 0.0000 4.65116E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 32
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1711 B 21.97000 199.00 244.21 1.0000 0.0000 5.02513E-03 0.7000 0 1
1712 B 21.97700 195.00 244.18 1.0000 0.0000 5.12821E-03 0.7002 0 1
1713 B 21.98400 186.00 244.14 1.0000 0.0000 5.37634E-03 0.7000 0 1
1714 B 21.99100 190.00 244.11 1.0000 0.0000 5.26316E-03 0.7000 0 1
1715 B 21.99800 196.00 244.07 1.0000 0.0000 5.10204E-03 0.7000 0 1
1716 B 22.00500 196.00 244.04 1.0000 0.0000 5.10204E-03 0.7000 0 1
1717 B 22.01200 175.00 244.00 1.0000 0.0000 5.71429E-03 0.7002 0 1
1718 B 22.01900 181.00 243.97 1.0000 0.0000 5.52486E-03 0.7000 0 1
1719 B 22.02600 186.00 243.93 1.0000 0.0000 5.37634E-03 0.7000 0 1
1720 B 22.03300 189.00 243.90 1.0000 0.0000 5.29101E-03 0.7000 0 1
1721 B 22.04000 180.00 243.86 1.0000 0.0000 5.55556E-03 0.7000 0 1
1722 B 22.04700 195.00 243.83 1.0000 0.0000 5.12821E-03 0.7002 0 1
1723 B 22.05400 176.00 243.79 1.0000 0.0000 5.68182E-03 0.7000 0 1
1724 B 22.06100 186.00 243.76 1.0000 0.0000 5.37634E-03 0.7000 0 1
1725 B 22.06800 193.00 243.72 1.0000 0.0000 5.18135E-03 0.7000 0 1
1726 B 22.07500 186.00 243.69 1.0000 0.0000 5.37634E-03 0.7000 0 1
1727 B 22.08200 190.00 243.65 1.0000 0.0000 5.26316E-03 0.7002 0 1
1728 B 22.08900 197.00 243.62 1.0000 0.0000 5.07614E-03 0.7000 0 1
1729 B 22.09600 198.00 243.58 1.0000 0.0000 5.05051E-03 0.7000 0 1
1730 B 22.10300 183.00 243.55 1.0000 0.0000 5.46448E-03 0.7000 0 1
1731 B 22.11000 194.00 243.52 1.0000 0.0000 5.15464E-03 0.7000 0 1
1732 B 22.11700 196.00 243.48 1.0000 0.0000 5.10204E-03 0.7002 0 1
1733 B 22.12400 166.00 243.45 1.0000 0.0000 6.02410E-03 0.7000 0 1
1734 B 22.13100 203.00 243.41 1.0000 0.0000 4.92611E-03 0.7000 0 1
1735 B 22.13800 212.00 243.38 1.0000 0.0000 4.71698E-03 0.7000 0 1
1736 B 22.14500 186.00 243.34 1.0000 0.0000 5.37634E-03 0.7000 0 1
1737 B 22.15200 183.00 243.31 1.0000 0.0000 5.46448E-03 0.7002 0 1
1738 B 22.15900 210.00 243.27 1.0000 0.0000 4.76190E-03 0.7000 0 1
1739 B 22.16600 208.00 243.24 1.0000 0.0000 4.80769E-03 0.7000 0 1
1740 B 22.17300 194.00 243.20 1.0000 0.0000 5.15464E-03 0.7000 0 1
1741 B 22.18000 180.00 243.17 1.0000 0.0000 5.55556E-03 0.7000 0 1
1742 B 22.18700 175.00 243.13 1.0000 0.0000 5.71429E-03 0.7002 0 1
1743 B 22.19400 199.00 243.10 1.0000 0.0000 5.02513E-03 0.7000 0 1
1744 B 22.20100 194.00 243.06 1.0000 0.0000 5.15464E-03 0.7000 0 1
1745 B 22.20800 171.00 243.03 1.0000 0.0000 5.84795E-03 0.7000 0 1
1746 B 22.21500 178.00 242.99 1.0000 0.0000 5.61798E-03 0.7000 0 1
1747 B 22.22200 198.00 242.96 1.0000 0.0000 5.05051E-03 0.7002 0 1
1748 B 22.22900 170.00 242.93 1.0000 0.0000 5.88235E-03 0.7000 0 1
1749 B 22.23600 165.00 242.89 1.0000 0.0000 6.06061E-03 0.7000 0 1
1750 B 22.24300 190.00 242.86 1.0000 0.0000 5.26316E-03 0.7000 0 1
1751 B 22.25000 185.00 242.82 1.0000 0.0000 5.40541E-03 0.7000 0 1
1752 B 22.25700 173.00 242.79 1.0000 0.0000 5.78035E-03 0.7002 0 1
1753 B 22.26400 187.00 242.75 1.0000 0.0000 5.34759E-03 0.7000 0 1
1754 B 22.27100 197.00 242.72 1.0000 0.0000 5.07614E-03 0.7000 0 1
1755 B 22.27800 192.00 242.68 1.0000 0.0000 5.20833E-03 0.7000 0 1
1756 B 22.28500 182.00 242.65 1.0000 0.0000 5.49451E-03 0.7000 0 1
1757 B 22.29200 199.00 242.61 1.0000 0.0000 5.02513E-03 0.7002 0 1
1758 B 22.29900 183.00 242.58 1.0000 0.0000 5.46448E-03 0.7000 0 1
1759 B 22.30600 171.00 242.54 1.0000 0.0000 5.84795E-03 0.7000 0 1
1760 B 22.31300 189.00 242.51 1.0000 0.0000 5.29101E-03 0.7000 0 1
1761 B 22.32000 173.00 242.47 1.0000 0.0000 5.78035E-03 0.7000 0 1
1762 B 22.32700 171.00 242.44 1.0000 0.0000 5.84795E-03 0.7002 0 1
1763 B 22.33400 199.00 242.40 1.0000 0.0000 5.02513E-03 0.7000 0 1
1764 B 22.34100 183.00 242.37 1.0000 0.0000 5.46448E-03 0.7000 0 1
1765 B 22.34800 167.00 242.34 1.0000 0.0000 5.98802E-03 0.7000 0 1
1766 B 22.35500 172.00 242.30 1.0000 0.0000 5.81395E-03 0.7000 0 1
1767 B 22.36200 196.00 242.27 1.0000 0.0000 5.10204E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 33
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1768 B 22.36900 196.00 242.23 1.0000 0.0000 5.10204E-03 0.7000 0 1
1769 B 22.37600 204.00 242.20 1.0000 0.0000 4.90196E-03 0.7000 0 1
1770 B 22.38300 176.00 242.16 1.0000 0.0000 5.68182E-03 0.7000 0 1
1771 B 22.39000 183.00 242.13 1.0000 0.0000 5.46448E-03 0.7000 0 1
1772 B 22.39700 193.00 242.09 1.0000 0.0000 5.18135E-03 0.7002 0 1
1773 B 22.40400 180.00 242.06 1.0000 0.0000 5.55556E-03 0.7000 0 1
1774 B 22.41100 158.00 242.02 1.0000 0.0000 6.32911E-03 0.7000 0 1
1775 B 22.41800 176.00 241.99 1.0000 0.0000 5.68182E-03 0.7000 0 1
1776 B 22.42500 183.00 241.95 1.0000 0.0000 5.46448E-03 0.7000 0 1
1777 B 22.43200 200.00 241.92 1.0000 0.0000 5.00000E-03 0.7002 0 1
1778 B 22.43900 204.00 241.89 1.0000 0.0000 4.90196E-03 0.7000 0 1
1779 B 22.44600 180.00 241.85 1.0000 0.0000 5.55556E-03 0.7000 0 1
1780 B 22.45300 181.00 241.82 1.0000 0.0000 5.52486E-03 0.7000 0 1
1781 B 22.46000 180.00 241.78 1.0000 0.0000 5.55556E-03 0.7000 0 1
1782 B 22.46700 186.00 241.75 1.0000 0.0000 5.37634E-03 0.7002 0 1
1783 B 22.47400 173.00 241.71 1.0000 0.0000 5.78035E-03 0.7000 0 1
1784 B 22.48100 192.00 241.68 1.0000 0.0000 5.20833E-03 0.7000 0 1
1785 B 22.48800 200.00 241.64 1.0000 0.0000 5.00000E-03 0.7000 0 1
1786 B 22.49500 197.00 241.61 1.0000 0.0000 5.07614E-03 0.7000 0 1
1787 B 22.50200 194.00 241.57 1.0000 0.0000 5.15464E-03 0.7002 0 1
1788 B 22.50900 189.00 241.54 1.0000 0.0000 5.29101E-03 0.7000 0 1
1789 B 22.51600 186.00 241.51 1.0000 0.0000 5.37634E-03 0.7000 0 1
1790 B 22.52300 191.00 241.47 1.0000 0.0000 5.23560E-03 0.7000 0 1
1791 B 22.53000 206.00 241.44 1.0000 0.0000 4.85437E-03 0.7000 0 1
1792 B 22.53700 171.00 241.40 1.0000 0.0000 5.84795E-03 0.7002 0 1
1793 B 22.54400 174.00 241.37 1.0000 0.0000 5.74713E-03 0.7000 0 1
1794 B 22.55100 197.00 241.33 1.0000 0.0000 5.07614E-03 0.7000 0 1
1795 B 22.55800 188.00 241.30 1.0000 0.0000 5.31915E-03 0.7000 0 1
1796 B 22.56500 175.00 241.26 1.0000 0.0000 5.71429E-03 0.7000 0 1
1797 B 22.57200 178.00 241.23 1.0000 0.0000 5.61798E-03 0.7002 0 1
1798 B 22.57900 191.00 241.19 1.0000 0.0000 5.23560E-03 0.7000 0 1
1799 B 22.58600 190.00 241.16 1.0000 0.0000 5.26316E-03 0.7000 0 1
1800 B 22.59300 173.00 241.13 1.0000 0.0000 5.78035E-03 0.7000 0 1
1801 B 22.60000 181.00 241.09 1.0000 0.0000 5.52486E-03 0.7000 0 1
1802 B 22.60700 174.00 241.06 1.0000 0.0000 5.74713E-03 0.7002 0 1
1803 B 22.61400 177.00 241.02 1.0000 0.0000 5.64972E-03 0.7000 0 1
1804 B 22.62100 194.00 240.99 1.0000 0.0000 5.15464E-03 0.7000 0 1
1805 B 22.62800 211.00 240.95 1.0000 0.0000 4.73934E-03 0.7000 0 1
1806 B 22.63500 193.00 240.92 1.0000 0.0000 5.18135E-03 0.7000 0 1
1807 B 22.64200 178.00 240.88 1.0000 0.0000 5.61798E-03 0.7002 0 1
1808 B 22.64900 164.00 240.85 1.0000 0.0000 6.09756E-03 0.7000 0 1
1809 B 22.65600 163.00 240.81 1.0000 0.0000 6.13497E-03 0.7000 0 1
1810 B 22.66300 184.00 240.78 1.0000 0.0000 5.43478E-03 0.7000 0 1
1811 B 22.67000 173.00 240.75 1.0000 0.0000 5.78035E-03 0.7000 0 1
1812 B 22.67700 179.00 240.71 1.0000 0.0000 5.58659E-03 0.7002 0 1
1813 B 22.68400 178.00 240.68 1.0000 0.0000 5.61798E-03 0.7000 0 1
1814 B 22.69100 164.00 240.64 1.0000 0.0000 6.09756E-03 0.7000 0 1
1815 B 22.69800 178.00 240.61 1.0000 0.0000 5.61798E-03 0.7000 0 1
1816 B 22.70500 191.00 240.57 1.0000 0.0000 5.23560E-03 0.7000 0 1
1817 B 22.71200 177.00 240.54 1.0000 0.0000 5.64972E-03 0.7002 0 1
1818 B 22.71900 175.00 240.50 1.0000 0.0000 5.71429E-03 0.7000 0 1
1819 B 22.72600 174.00 240.47 1.0000 0.0000 5.74713E-03 0.7000 0 1
1820 B 22.73300 182.00 240.44 1.0000 0.0000 5.49451E-03 0.7000 0 1
1821 B 22.74000 154.00 240.40 1.0000 0.0000 6.49351E-03 0.7000 0 1
1822 B 22.74700 165.00 240.37 1.0000 0.0000 6.06061E-03 0.7002 0 1
1823 B 22.75400 156.00 240.33 1.0000 0.0000 6.41026E-03 0.7000 0 1
1824 B 22.76100 148.00 240.30 1.0000 0.0000 6.75676E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 34
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1825 B 22.76800 190.00 240.26 1.0000 0.0000 5.26316E-03 0.7000 0 1
1826 B 22.77500 185.00 240.23 1.0000 0.0000 5.40541E-03 0.7000 0 1
1827 B 22.78200 201.00 240.19 1.0000 0.0000 4.97512E-03 0.7002 0 1
1828 B 22.78900 168.00 240.16 1.0000 0.0000 5.95238E-03 0.7000 0 1
1829 B 22.79600 177.00 240.12 1.0000 0.0000 5.64972E-03 0.7000 0 1
1830 B 22.80300 181.00 240.09 1.0000 0.0000 5.52486E-03 0.7000 0 1
1831 B 22.81000 186.00 240.06 1.0000 0.0000 5.37634E-03 0.7000 0 1
1832 B 22.81700 173.00 240.02 1.0000 0.0000 5.78035E-03 0.7002 0 1
1833 B 22.82400 168.00 239.99 1.0000 0.0000 5.95238E-03 0.7000 0 1
1834 B 22.83100 167.00 239.95 1.0000 0.0000 5.98802E-03 0.7000 0 1
1835 B 22.83800 179.00 239.92 1.0000 0.0000 5.58659E-03 0.7000 0 1
1836 B 22.84500 186.00 239.88 1.0000 0.0000 5.37634E-03 0.7000 0 1
1837 B 22.85200 180.00 239.85 1.0000 0.0000 5.55556E-03 0.7002 0 1
1838 B 22.85900 186.00 239.82 1.0000 0.0000 5.37634E-03 0.7000 0 1
1839 B 22.86600 194.00 239.78 1.0000 0.0000 5.15464E-03 0.7000 0 1
1840 B 22.87300 170.00 239.75 1.0000 0.0000 5.88235E-03 0.7000 0 1
1841 B 22.88000 161.00 239.71 1.0000 0.0000 6.21118E-03 0.7000 0 1
1842 B 22.88700 167.00 239.68 1.0000 0.0000 5.98802E-03 0.7002 0 1
1843 B 22.89400 158.00 239.64 1.0000 0.0000 6.32911E-03 0.7000 0 1
1844 B 22.90100 177.00 239.61 1.0000 0.0000 5.64972E-03 0.7000 0 1
1845 B 22.90800 196.00 239.57 1.0000 0.0000 5.10204E-03 0.7000 0 1
1846 B 22.91500 173.00 239.54 1.0000 0.0000 5.78035E-03 0.7000 0 1
1847 B 22.92200 167.00 239.51 1.0000 0.0000 5.98802E-03 0.7002 0 1
1848 B 22.92900 175.00 239.47 1.0000 0.0000 5.71429E-03 0.7000 0 1
1849 B 22.93600 171.00 239.44 1.0000 0.0000 5.84795E-03 0.7000 0 1
1850 B 22.94300 159.00 239.40 1.0000 0.0000 6.28931E-03 0.7000 0 1
1851 B 22.95000 162.00 239.37 1.0000 0.0000 6.17284E-03 0.7000 0 1
1852 B 22.95700 182.00 239.33 1.0000 0.0000 5.49451E-03 0.7002 0 1
1853 B 22.96400 164.00 239.30 1.0000 0.0000 6.09756E-03 0.7000 0 1
1854 B 22.97100 185.00 239.26 1.0000 0.0000 5.40541E-03 0.7000 0 1
1855 B 22.97800 174.00 239.23 1.0000 0.0000 5.74713E-03 0.7000 0 1
1856 B 22.98500 192.00 239.20 1.0000 0.0000 5.20833E-03 0.7000 0 1
1857 B 22.99200 175.00 239.16 1.0000 0.0000 5.71429E-03 0.7002 0 1
1858 B 22.99900 171.00 239.13 1.0000 0.0000 5.84795E-03 0.7000 0 1
1859 B 23.00600 184.00 239.09 1.0000 0.0000 5.43478E-03 0.7000 0 1
1860 B 23.01300 191.00 239.06 1.0000 0.0000 5.23560E-03 0.7000 0 1
1861 B 23.02000 176.00 239.02 1.0000 0.0000 5.68182E-03 0.7000 0 1
1862 B 23.02700 164.00 238.99 1.0000 0.0000 6.09756E-03 0.7002 0 1
1863 B 23.03400 179.00 238.96 1.0000 0.0000 5.58659E-03 0.7000 0 1
1864 B 23.04100 176.00 238.92 1.0000 0.0000 5.68182E-03 0.7000 0 1
1865 B 23.04800 175.00 238.89 1.0000 0.0000 5.71429E-03 0.7000 0 1
1866 B 23.05500 180.00 238.85 1.0000 0.0000 5.55556E-03 0.7000 0 1
1867 B 23.06200 180.00 238.82 1.0000 0.0000 5.55556E-03 0.7002 0 1
1868 B 23.06900 185.00 238.78 1.0000 0.0000 5.40541E-03 0.7000 0 1
1869 B 23.07600 164.00 238.75 1.0000 0.0000 6.09756E-03 0.7000 0 1
1870 B 23.08300 159.00 238.72 1.0000 0.0000 6.28931E-03 0.7000 0 1
1871 B 23.09000 184.00 238.68 1.0000 0.0000 5.43478E-03 0.7000 0 1
1872 B 23.09700 211.00 238.65 1.0000 0.0000 4.73934E-03 0.7002 0 1
1873 B 23.10400 180.00 238.61 1.0000 0.0000 5.55556E-03 0.7000 0 1
1874 B 23.11100 163.00 238.58 1.0000 0.0000 6.13497E-03 0.7000 0 1
1875 B 23.11800 155.00 238.54 1.0000 0.0000 6.45161E-03 0.7000 0 1
1876 B 23.12500 167.00 238.51 1.0000 0.0000 5.98802E-03 0.7000 0 1
1877 B 23.13200 164.00 238.48 1.0000 0.0000 6.09756E-03 0.7002 0 1
1878 B 23.13900 158.00 238.44 1.0000 0.0000 6.32911E-03 0.7000 0 1
1879 B 23.14600 179.00 238.41 1.0000 0.0000 5.58659E-03 0.7000 0 1
1880 B 23.15300 164.00 238.37 1.0000 0.0000 6.09756E-03 0.7000 0 1
1881 B 23.16000 142.00 238.34 1.0000 0.0000 7.04225E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 35
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1882 B 23.16700 158.00 238.30 1.0000 0.0000 6.32911E-03 0.7002 0 1
1883 B 23.17400 180.00 238.27 1.0000 0.0000 5.55556E-03 0.7000 0 1
1884 B 23.18100 169.00 238.24 1.0000 0.0000 5.91716E-03 0.7000 0 1
1885 B 23.18800 161.00 238.20 1.0000 0.0000 6.21118E-03 0.7000 0 1
1886 B 23.19500 192.00 238.17 1.0000 0.0000 5.20833E-03 0.7000 0 1
1887 B 23.20200 163.00 238.13 1.0000 0.0000 6.13497E-03 0.7002 0 1
1888 B 23.20900 190.00 238.10 1.0000 0.0000 5.26316E-03 0.7000 0 1
1889 B 23.21600 182.00 238.06 1.0000 0.0000 5.49451E-03 0.7000 0 1
1890 B 23.22300 189.00 238.03 1.0000 0.0000 5.29101E-03 0.7000 0 1
1891 B 23.23000 170.00 238.00 1.0000 0.0000 5.88235E-03 0.7000 0 1
1892 B 23.23700 172.00 237.96 1.0000 0.0000 5.81395E-03 0.7002 0 1
1893 B 23.24400 163.00 237.93 1.0000 0.0000 6.13497E-03 0.7000 0 1
1894 B 23.25100 163.00 237.89 1.0000 0.0000 6.13497E-03 0.7000 0 1
1895 B 23.25800 164.00 237.86 1.0000 0.0000 6.09756E-03 0.7000 0 1
1896 B 23.26500 169.00 237.82 1.0000 0.0000 5.91716E-03 0.7000 0 1
1897 B 23.27200 156.00 237.79 1.0000 0.0000 6.41026E-03 0.7002 0 1
1898 B 23.27900 190.00 237.76 1.0000 0.0000 5.26316E-03 0.7000 0 1
1899 B 23.28600 175.00 237.72 1.0000 0.0000 5.71429E-03 0.7000 0 1
1900 B 23.29300 148.00 237.69 1.0000 0.0000 6.75676E-03 0.7000 0 1
1901 B 23.30000 191.00 237.65 1.0000 0.0000 5.23560E-03 0.7000 0 1
1902 B 23.30700 163.00 237.62 1.0000 0.0000 6.13497E-03 0.7002 0 1
1903 B 23.31400 158.00 237.58 1.0000 0.0000 6.32911E-03 0.7000 0 1
1904 B 23.32100 172.00 237.55 1.0000 0.0000 5.81395E-03 0.7000 0 1
1905 B 23.32800 176.00 237.52 1.0000 0.0000 5.68182E-03 0.7000 0 1
1906 B 23.33500 167.00 237.48 1.0000 0.0000 5.98802E-03 0.7000 0 1
1907 B 23.34200 178.00 237.45 1.0000 0.0000 5.61798E-03 0.7002 0 1
1908 B 23.34900 179.00 237.41 1.0000 0.0000 5.58659E-03 0.7000 0 1
1909 B 23.35600 179.00 237.38 1.0000 0.0000 5.58659E-03 0.7000 0 1
1910 B 23.36300 160.00 237.35 1.0000 0.0000 6.25000E-03 0.7000 0 1
1911 B 23.37000 160.00 237.31 1.0000 0.0000 6.25000E-03 0.7000 0 1
1912 B 23.37700 184.00 237.28 1.0000 0.0000 5.43478E-03 0.7002 0 1
1913 B 23.38400 179.00 237.24 1.0000 0.0000 5.58659E-03 0.7000 0 1
1914 B 23.39100 167.00 237.21 1.0000 0.0000 5.98802E-03 0.7000 0 1
1915 B 23.39800 173.00 237.17 1.0000 0.0000 5.78035E-03 0.7000 0 1
1916 B 23.40500 164.00 237.14 1.0000 0.0000 6.09756E-03 0.7000 0 1
1917 B 23.41200 162.00 237.11 1.0000 0.0000 6.17284E-03 0.7002 0 1
1918 B 23.41900 174.00 237.07 1.0000 0.0000 5.74713E-03 0.7000 0 1
1919 B 23.42600 159.00 237.04 1.0000 0.0000 6.28931E-03 0.7000 0 1
1920 B 23.43300 157.00 237.00 1.0000 0.0000 6.36943E-03 0.7000 0 1
1921 B 23.44000 163.00 236.97 1.0000 0.0000 6.13497E-03 0.7000 0 1
1922 B 23.44700 173.00 236.93 1.0000 0.0000 5.78035E-03 0.7002 0 1
1923 B 23.45400 169.00 236.90 1.0000 0.0000 5.91716E-03 0.7000 0 1
1924 B 23.46100 169.00 236.87 1.0000 0.0000 5.91716E-03 0.7000 0 1
1925 B 23.46800 153.00 236.83 1.0000 0.0000 6.53595E-03 0.7000 0 1
1926 B 23.47500 165.00 236.80 1.0000 0.0000 6.06061E-03 0.7000 0 1
1927 B 23.48200 174.00 236.76 1.0000 0.0000 5.74713E-03 0.7002 0 1
1928 B 23.48900 188.00 236.73 1.0000 0.0000 5.31915E-03 0.7000 0 1
1929 B 23.49600 178.00 236.70 1.0000 0.0000 5.61798E-03 0.7000 0 1
1930 B 23.50300 176.00 236.66 1.0000 0.0000 5.68182E-03 0.7000 0 1
1931 B 23.51000 191.00 236.63 1.0000 0.0000 5.23560E-03 0.7000 0 1
1932 B 23.51700 172.00 236.59 1.0000 0.0000 5.81395E-03 0.7002 0 1
1933 B 23.52400 163.00 236.56 1.0000 0.0000 6.13497E-03 0.7000 0 1
1934 B 23.53100 176.00 236.53 1.0000 0.0000 5.68182E-03 0.7000 0 1
1935 B 23.53800 162.00 236.49 1.0000 0.0000 6.17284E-03 0.7000 0 1
1936 B 23.54500 153.00 236.46 1.0000 0.0000 6.53595E-03 0.7000 0 1
1937 B 23.55200 168.00 236.42 1.0000 0.0000 5.95238E-03 0.7002 0 1
1938 B 23.55900 162.00 236.39 1.0000 0.0000 6.17284E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 36
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1939 B 23.56600 163.00 236.35 1.0000 0.0000 6.13497E-03 0.7000 0 1
1940 B 23.57300 165.00 236.32 1.0000 0.0000 6.06061E-03 0.7000 0 1
1941 B 23.58000 174.00 236.29 1.0000 0.0000 5.74713E-03 0.7000 0 1
1942 B 23.58700 176.00 236.25 1.0000 0.0000 5.68182E-03 0.7002 0 1
1943 B 23.59400 148.00 236.22 1.0000 0.0000 6.75676E-03 0.7000 0 1
1944 B 23.60100 144.00 236.18 1.0000 0.0000 6.94444E-03 0.7000 0 1
1945 B 23.60800 174.00 236.15 1.0000 0.0000 5.74713E-03 0.7000 0 1
1946 B 23.61500 158.00 236.12 1.0000 0.0000 6.32911E-03 0.7000 0 1
1947 B 23.62200 155.00 236.08 1.0000 0.0000 6.45161E-03 0.7002 0 1
1948 B 23.62900 172.00 236.05 1.0000 0.0000 5.81395E-03 0.7000 0 1
1949 B 23.63600 160.00 236.01 1.0000 0.0000 6.25000E-03 0.7000 0 1
1950 B 23.64300 163.00 235.98 1.0000 0.0000 6.13497E-03 0.7000 0 1
1951 B 23.65000 171.00 235.95 1.0000 0.0000 5.84795E-03 0.7000 0 1
1952 B 23.65700 164.00 235.91 1.0000 0.0000 6.09756E-03 0.7002 0 1
1953 B 23.66400 158.00 235.88 1.0000 0.0000 6.32911E-03 0.7000 0 1
1954 B 23.67100 165.00 235.84 1.0000 0.0000 6.06061E-03 0.7000 0 1
1955 B 23.67800 165.00 235.81 1.0000 0.0000 6.06061E-03 0.7000 0 1
1956 B 23.68500 163.00 235.78 1.0000 0.0000 6.13497E-03 0.7000 0 1
1957 B 23.69200 172.00 235.74 1.0000 0.0000 5.81395E-03 0.7002 0 1
1958 B 23.69900 168.00 235.71 1.0000 0.0000 5.95238E-03 0.7000 0 1
1959 B 23.70600 165.00 235.67 1.0000 0.0000 6.06061E-03 0.7000 0 1
1960 B 23.71300 151.00 235.64 1.0000 0.0000 6.62252E-03 0.7000 0 1
1961 B 23.72000 170.00 235.61 1.0000 0.0000 5.88235E-03 0.7000 0 1
1962 B 23.72700 162.00 235.57 1.0000 0.0000 6.17284E-03 0.7002 0 1
1963 B 23.73400 158.00 235.54 1.0000 0.0000 6.32911E-03 0.7000 0 1
1964 B 23.74100 150.00 235.50 1.0000 0.0000 6.66667E-03 0.7000 0 1
1965 B 23.74800 169.00 235.47 1.0000 0.0000 5.91716E-03 0.7000 0 1
1966 B 23.75500 162.00 235.43 1.0000 0.0000 6.17284E-03 0.7000 0 1
1967 B 23.76200 172.00 235.40 1.0000 0.0000 5.81395E-03 0.7002 0 1
1968 B 23.76900 183.00 235.37 1.0000 0.0000 5.46448E-03 0.7000 0 1
1969 B 23.77600 160.00 235.33 1.0000 0.0000 6.25000E-03 0.7000 0 1
1970 B 23.78300 162.00 235.30 1.0000 0.0000 6.17284E-03 0.7000 0 1
1971 B 23.79000 165.00 235.26 1.0000 0.0000 6.06061E-03 0.7000 0 1
1972 B 23.79700 166.00 235.23 1.0000 0.0000 6.02410E-03 0.7002 0 1
1973 B 23.80400 154.00 235.20 1.0000 0.0000 6.49351E-03 0.7000 0 1
1974 B 23.81100 156.00 235.16 1.0000 0.0000 6.41026E-03 0.7000 0 1
1975 B 23.81800 169.00 235.13 1.0000 0.0000 5.91716E-03 0.7000 0 1
1976 B 23.82500 174.00 235.09 1.0000 0.0000 5.74713E-03 0.7000 0 1
1977 B 23.83200 179.00 235.06 1.0000 0.0000 5.58659E-03 0.7002 0 1
1978 B 23.83900 166.00 235.03 1.0000 0.0000 6.02410E-03 0.7000 0 1
1979 B 23.84600 158.00 234.99 1.0000 0.0000 6.32911E-03 0.7000 0 1
1980 B 23.85300 164.00 234.96 1.0000 0.0000 6.09756E-03 0.7000 0 1
1981 B 23.86000 160.00 234.92 1.0000 0.0000 6.25000E-03 0.7000 0 1
1982 B 23.86700 176.00 234.89 1.0000 0.0000 5.68182E-03 0.7002 0 1
1983 B 23.87400 176.00 234.86 1.0000 0.0000 5.68182E-03 0.7000 0 1
1984 B 23.88100 171.00 234.82 1.0000 0.0000 5.84795E-03 0.7000 0 1
1985 B 23.88800 159.00 234.79 1.0000 0.0000 6.28931E-03 0.7000 0 1
1986 B 23.89500 156.00 234.76 1.0000 0.0000 6.41026E-03 0.7000 0 1
1987 B 23.90200 172.00 234.72 1.0000 0.0000 5.81395E-03 0.7002 0 1
1988 B 23.90900 170.00 234.69 1.0000 0.0000 5.88235E-03 0.7000 0 1
1989 B 23.91600 163.00 234.65 1.0000 0.0000 6.13497E-03 0.7000 0 1
1990 B 23.92300 157.00 234.62 1.0000 0.0000 6.36943E-03 0.7000 0 1
1991 B 23.93000 161.00 234.59 1.0000 0.0000 6.21118E-03 0.7000 0 1
1992 B 23.93700 187.00 234.55 1.0000 0.0000 5.34759E-03 0.7002 0 1
1993 B 23.94400 157.00 234.52 1.0000 0.0000 6.36943E-03 0.7000 0 1
1994 B 23.95100 159.00 234.48 1.0000 0.0000 6.28931E-03 0.7000 0 1
1995 B 23.95800 169.00 234.45 1.0000 0.0000 5.91716E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 37
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
1996 B 23.96500 156.00 234.42 1.0000 0.0000 6.41026E-03 0.7000 0 1
1997 B 23.97200 163.00 234.38 1.0000 0.0000 6.13497E-03 0.7002 0 1
1998 B 23.97900 156.00 234.35 1.0000 0.0000 6.41026E-03 0.7000 0 1
1999 B 23.98600 154.00 234.31 1.0000 0.0000 6.49351E-03 0.7000 0 1
2000 B 23.99300 163.00 234.28 1.0000 0.0000 6.13497E-03 0.7000 0 1
2001 B 24.00000 154.00 234.25 1.0000 0.0000 6.49351E-03 0.7000 0 1
2002 B 24.00700 174.00 234.21 1.0000 0.0000 5.74713E-03 0.7002 0 1
2003 B 24.01400 186.00 234.18 1.0000 0.0000 5.37634E-03 0.7000 0 1
2004 B 24.02100 161.00 234.14 1.0000 0.0000 6.21118E-03 0.7000 0 1
2005 B 24.02800 140.00 234.11 1.0000 0.0000 7.14286E-03 0.7000 0 1
2006 B 24.03500 159.00 234.08 1.0000 0.0000 6.28931E-03 0.7000 0 1
2007 B 24.04200 180.00 234.04 1.0000 0.0000 5.55556E-03 0.7002 0 1
2008 B 24.04900 161.00 234.01 1.0000 0.0000 6.21118E-03 0.7000 0 1
2009 B 24.05600 155.00 233.97 1.0000 0.0000 6.45161E-03 0.7000 0 1
2010 B 24.06300 156.00 233.94 1.0000 0.0000 6.41026E-03 0.7000 0 1
2011 B 24.07000 151.00 233.91 1.0000 0.0000 6.62252E-03 0.7000 0 1
2012 B 24.07700 169.00 233.87 1.0000 0.0000 5.91716E-03 0.7002 0 1
2013 B 24.08400 164.00 233.84 1.0000 0.0000 6.09756E-03 0.7000 0 1
2014 B 24.09100 159.00 233.81 1.0000 0.0000 6.28931E-03 0.7000 0 1
2015 B 24.09800 151.00 233.77 1.0000 0.0000 6.62252E-03 0.7000 0 1
2016 B 24.10500 155.00 233.74 1.0000 0.0000 6.45161E-03 0.7000 0 1
2017 B 24.11200 162.00 233.70 1.0000 0.0000 6.17284E-03 0.7002 0 1
2018 B 24.11900 161.00 233.67 1.0000 0.0000 6.21118E-03 0.7000 0 1
2019 B 24.12600 154.00 233.64 1.0000 0.0000 6.49351E-03 0.7000 0 1
2020 B 24.13300 150.00 233.60 1.0000 0.0000 6.66667E-03 0.7000 0 1
2021 B 24.14000 169.00 233.57 1.0000 0.0000 5.91716E-03 0.7000 0 1
2022 B 24.14700 174.00 233.53 1.0000 0.0000 5.74713E-03 0.7002 0 1
2023 B 24.15400 170.00 233.50 1.0000 0.0000 5.88235E-03 0.7000 0 1
2024 B 24.16100 148.00 233.47 1.0000 0.0000 6.75676E-03 0.7000 0 1
2025 B 24.16800 131.00 233.43 1.0000 0.0000 7.63359E-03 0.7000 0 1
2026 B 24.17500 145.00 233.40 1.0000 0.0000 6.89655E-03 0.7000 0 1
2027 B 24.18200 152.00 233.37 1.0000 0.0000 6.57895E-03 0.7002 0 1
2028 B 24.18900 144.00 233.33 1.0000 0.0000 6.94444E-03 0.7000 0 1
2029 B 24.19600 147.00 233.30 1.0000 0.0000 6.80272E-03 0.7000 0 1
2030 B 24.20300 157.00 233.26 1.0000 0.0000 6.36943E-03 0.7000 0 1
2031 B 24.21000 155.00 233.23 1.0000 0.0000 6.45161E-03 0.7000 0 1
2032 B 24.21700 161.00 233.20 1.0000 0.0000 6.21118E-03 0.7002 0 1
2033 B 24.22400 153.00 233.16 1.0000 0.0000 6.53595E-03 0.7000 0 1
2034 B 24.23100 150.00 233.13 1.0000 0.0000 6.66667E-03 0.7000 0 1
2035 B 24.23800 164.00 233.09 1.0000 0.0000 6.09756E-03 0.7000 0 1
2036 B 24.24500 166.00 233.06 1.0000 0.0000 6.02410E-03 0.7000 0 1
2037 B 24.25200 164.00 233.03 1.0000 0.0000 6.09756E-03 0.7002 0 1
2038 B 24.25900 156.00 232.99 1.0000 0.0000 6.41026E-03 0.7000 0 1
2039 B 24.26600 145.00 232.96 1.0000 0.0000 6.89655E-03 0.7000 0 1
2040 B 24.27300 146.00 232.93 1.0000 0.0000 6.84932E-03 0.7000 0 1
2041 B 24.28000 144.00 232.89 1.0000 0.0000 6.94444E-03 0.7000 0 1
2042 B 24.28700 154.00 232.86 1.0000 0.0000 6.49351E-03 0.7002 0 1
2043 B 24.29400 165.00 232.82 1.0000 0.0000 6.06061E-03 0.7000 0 1
2044 B 24.30100 179.00 232.79 1.0000 0.0000 5.58659E-03 0.7000 0 1
2045 B 24.30800 175.00 232.76 1.0000 0.0000 5.71429E-03 0.7000 0 1
2046 B 24.31500 166.00 232.72 1.0000 0.0000 6.02410E-03 0.7000 0 1
2047 B 24.32200 156.00 232.69 1.0000 0.0000 6.41026E-03 0.7002 0 1
2048 B 24.32900 147.00 232.66 1.0000 0.0000 6.80272E-03 0.7000 0 1
2049 B 24.33600 161.00 232.62 1.0000 0.0000 6.21118E-03 0.7000 0 1
2050 B 24.34300 157.00 232.59 1.0000 0.0000 6.36943E-03 0.7000 0 1
2051 B 24.35000 165.00 232.55 1.0000 0.0000 6.06061E-03 0.7000 0 1
2052 B 24.35700 148.00 232.52 1.0000 0.0000 6.75676E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 38
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2053 B 24.36400 150.00 232.49 1.0000 0.0000 6.66667E-03 0.7000 0 1
2054 B 24.37100 163.00 232.45 1.0000 0.0000 6.13497E-03 0.7000 0 1
2055 B 24.37800 151.00 232.42 1.0000 0.0000 6.62252E-03 0.7000 0 1
2056 B 24.38500 142.00 232.39 1.0000 0.0000 7.04225E-03 0.7000 0 1
2057 B 24.39200 161.00 232.35 1.0000 0.0000 6.21118E-03 0.7002 0 1
2058 B 24.39900 143.00 232.32 1.0000 0.0000 6.99301E-03 0.7000 0 1
2059 B 24.40600 170.00 232.28 1.0000 0.0000 5.88235E-03 0.7000 0 1
2060 B 24.41300 168.00 232.25 1.0000 0.0000 5.95238E-03 0.7000 0 1
2061 B 24.42000 160.00 232.22 1.0000 0.0000 6.25000E-03 0.7000 0 1
2062 B 24.42700 160.00 232.18 1.0000 0.0000 6.25000E-03 0.7002 0 1
2063 B 24.43400 140.00 232.15 1.0000 0.0000 7.14286E-03 0.7000 0 1
2064 B 24.44100 124.00 232.12 1.0000 0.0000 8.06452E-03 0.7000 0 1
2065 B 24.44800 143.00 232.08 1.0000 0.0000 6.99301E-03 0.7000 0 1
2066 B 24.45500 160.00 232.05 1.0000 0.0000 6.25000E-03 0.7000 0 1
2067 B 24.46200 151.00 232.01 1.0000 0.0000 6.62252E-03 0.7002 0 1
2068 B 24.46900 160.00 231.98 1.0000 0.0000 6.25000E-03 0.7000 0 1
2069 B 24.47600 138.00 231.95 1.0000 0.0000 7.24638E-03 0.7000 0 1
2070 B 24.48300 150.00 231.91 1.0000 0.0000 6.66667E-03 0.7000 0 1
2071 B 24.49000 149.00 231.88 1.0000 0.0000 6.71141E-03 0.7000 0 1
2072 B 24.49700 152.00 231.85 1.0000 0.0000 6.57895E-03 0.7002 0 1
2073 B 24.50400 174.00 231.81 1.0000 0.0000 5.74713E-03 0.7000 0 1
2074 B 24.51100 140.00 231.78 1.0000 0.0000 7.14286E-03 0.7000 0 1
2075 B 24.51800 141.00 231.74 1.0000 0.0000 7.09220E-03 0.7000 0 1
2076 B 24.52500 151.00 231.71 1.0000 0.0000 6.62252E-03 0.7000 0 1
2077 B 24.53200 159.00 231.68 1.0000 0.0000 6.28931E-03 0.7002 0 1
2078 B 24.53900 166.00 231.64 1.0000 0.0000 6.02410E-03 0.7000 0 1
2079 B 24.54600 168.00 231.61 1.0000 0.0000 5.95238E-03 0.7000 0 1
2080 B 24.55300 165.00 231.58 1.0000 0.0000 6.06061E-03 0.7000 0 1
2081 B 24.56000 147.00 231.54 1.0000 0.0000 6.80272E-03 0.7000 0 1
2082 B 24.56700 156.00 231.51 1.0000 0.0000 6.41026E-03 0.7002 0 1
2083 B 24.57400 159.00 231.48 1.0000 0.0000 6.28931E-03 0.7000 0 1
2084 B 24.58100 155.00 231.44 1.0000 0.0000 6.45161E-03 0.7000 0 1
2085 B 24.58800 160.00 231.41 1.0000 0.0000 6.25000E-03 0.7000 0 1
2086 B 24.59500 149.00 231.37 1.0000 0.0000 6.71141E-03 0.7000 0 1
2087 B 24.60200 147.00 231.34 1.0000 0.0000 6.80272E-03 0.7002 0 1
2088 B 24.60900 153.00 231.31 1.0000 0.0000 6.53595E-03 0.7000 0 1
2089 B 24.61600 147.00 231.27 1.0000 0.0000 6.80272E-03 0.7000 0 1
2090 B 24.62300 169.00 231.24 1.0000 0.0000 5.91716E-03 0.7000 0 1
2091 B 24.63000 152.00 231.21 1.0000 0.0000 6.57895E-03 0.7000 0 1
2092 B 24.63700 156.00 231.17 1.0000 0.0000 6.41026E-03 0.7002 0 1
2093 B 24.64400 159.00 231.14 1.0000 0.0000 6.28931E-03 0.7000 0 1
2094 B 24.65100 148.00 231.11 1.0000 0.0000 6.75676E-03 0.7000 0 1
2095 B 24.65800 148.00 231.07 1.0000 0.0000 6.75676E-03 0.7000 0 1
2096 B 24.66500 156.00 231.04 1.0000 0.0000 6.41026E-03 0.7000 0 1
2097 B 24.67200 151.00 231.00 1.0000 0.0000 6.62252E-03 0.7002 0 1
2098 B 24.67900 154.00 230.97 1.0000 0.0000 6.49351E-03 0.7000 0 1
2099 B 24.68600 134.00 230.94 1.0000 0.0000 7.46269E-03 0.7000 0 1
2100 B 24.69300 158.00 230.90 1.0000 0.0000 6.32911E-03 0.7000 0 1
2101 B 24.70000 141.00 230.87 1.0000 0.0000 7.09220E-03 0.7000 0 1
2102 B 24.70700 150.00 230.84 1.0000 0.0000 6.66667E-03 0.7002 0 1
2103 B 24.71400 152.00 230.80 1.0000 0.0000 6.57895E-03 0.7000 0 1
2104 B 24.72100 149.00 230.77 1.0000 0.0000 6.71141E-03 0.7000 0 1
2105 B 24.72800 141.00 230.74 1.0000 0.0000 7.09220E-03 0.7000 0 1
2106 B 24.73500 146.00 230.70 1.0000 0.0000 6.84932E-03 0.7000 0 1
2107 B 24.74200 138.00 230.67 1.0000 0.0000 7.24638E-03 0.7002 0 1
2108 B 24.74900 142.00 230.63 1.0000 0.0000 7.04225E-03 0.7000 0 1
2109 B 24.75600 140.00 230.60 1.0000 0.0000 7.14286E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 39
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2110 B 24.76300 134.00 230.57 1.0000 0.0000 7.46269E-03 0.7000 0 1
2111 B 24.77000 152.00 230.53 1.0000 0.0000 6.57895E-03 0.7000 0 1
2112 B 24.77700 171.00 230.50 1.0000 0.0000 5.84795E-03 0.7002 0 1
2113 B 24.78400 156.00 230.47 1.0000 0.0000 6.41026E-03 0.7000 0 1
2114 B 24.79100 179.00 230.43 1.0000 0.0000 5.58659E-03 0.7000 0 1
2115 B 24.79800 158.00 230.40 1.0000 0.0000 6.32911E-03 0.7000 0 1
2116 B 24.80500 140.00 230.37 1.0000 0.0000 7.14286E-03 0.7000 0 1
2117 B 24.81200 163.00 230.33 1.0000 0.0000 6.13497E-03 0.7002 0 1
2118 B 24.81900 140.00 230.30 1.0000 0.0000 7.14286E-03 0.7000 0 1
2119 B 24.82600 143.00 230.27 1.0000 0.0000 6.99301E-03 0.7000 0 1
2120 B 24.83300 139.00 230.23 1.0000 0.0000 7.19424E-03 0.7000 0 1
2121 B 24.84000 158.00 230.20 1.0000 0.0000 6.32911E-03 0.7000 0 1
2122 B 24.84700 141.00 230.16 1.0000 0.0000 7.09220E-03 0.7002 0 1
2123 B 24.85400 147.00 230.13 1.0000 0.0000 6.80272E-03 0.7000 0 1
2124 B 24.86100 151.00 230.10 1.0000 0.0000 6.62252E-03 0.7000 0 1
2125 B 24.86800 159.00 230.06 1.0000 0.0000 6.28931E-03 0.7000 0 1
2126 B 24.87500 158.00 230.03 1.0000 0.0000 6.32911E-03 0.7000 0 1
2127 B 24.88200 146.00 230.00 1.0000 0.0000 6.84932E-03 0.7002 0 1
2128 B 24.88900 160.00 229.96 1.0000 0.0000 6.25000E-03 0.7000 0 1
2129 B 24.89600 159.00 229.93 1.0000 0.0000 6.28931E-03 0.7000 0 1
2130 B 24.90300 154.00 229.90 1.0000 0.0000 6.49351E-03 0.7000 0 1
2131 B 24.91000 171.00 229.86 1.0000 0.0000 5.84795E-03 0.7000 0 1
2132 B 24.91700 158.00 229.83 1.0000 0.0000 6.32911E-03 0.7002 0 1
2133 B 24.92400 151.00 229.80 1.0000 0.0000 6.62252E-03 0.7000 0 1
2134 B 24.93100 141.00 229.76 1.0000 0.0000 7.09220E-03 0.7000 0 1
2135 B 24.93800 157.00 229.73 1.0000 0.0000 6.36943E-03 0.7000 0 1
2136 B 24.94500 147.00 229.70 1.0000 0.0000 6.80272E-03 0.7000 0 1
2137 B 24.95200 151.00 229.66 1.0000 0.0000 6.62252E-03 0.7002 0 1
2138 B 24.95900 172.00 229.63 1.0000 0.0000 5.81395E-03 0.7000 0 1
2139 B 24.96600 153.00 229.59 1.0000 0.0000 6.53595E-03 0.7000 0 1
2140 B 24.97300 147.00 229.56 1.0000 0.0000 6.80272E-03 0.7000 0 1
2141 B 24.98000 148.00 229.53 1.0000 0.0000 6.75676E-03 0.7000 0 1
2142 B 24.98700 144.00 229.49 1.0000 0.0000 6.94444E-03 0.7002 0 1
2143 B 24.99400 146.00 229.46 1.0000 0.0000 6.84932E-03 0.7000 0 1
2144 B 25.00100 135.00 229.43 1.0000 0.0000 7.40741E-03 0.7000 0 1
2145 B 25.00800 151.00 229.39 1.0000 0.0000 6.62252E-03 0.7000 0 1
2146 B 25.01500 132.00 229.36 1.0000 0.0000 7.57576E-03 0.7000 0 1
2147 B 25.02200 147.00 229.33 1.0000 0.0000 6.80272E-03 0.7002 0 1
2148 B 25.02900 147.00 229.29 1.0000 0.0000 6.80272E-03 0.7000 0 1
2149 B 25.03600 148.00 229.26 1.0000 0.0000 6.75676E-03 0.7000 0 1
2150 B 25.04300 147.00 229.23 1.0000 0.0000 6.80272E-03 0.7000 0 1
2151 B 25.05000 147.00 229.19 1.0000 0.0000 6.80272E-03 0.7000 0 1
2152 B 25.05700 154.00 229.16 1.0000 0.0000 6.49351E-03 0.7002 0 1
2153 B 25.06400 140.00 229.13 1.0000 0.0000 7.14286E-03 0.7000 0 1
2154 B 25.07100 145.00 229.09 1.0000 0.0000 6.89655E-03 0.7000 0 1
2155 B 25.07800 140.00 229.06 1.0000 0.0000 7.14286E-03 0.7000 0 1
2156 B 25.08500 149.00 229.03 1.0000 0.0000 6.71141E-03 0.7000 0 1
2157 B 25.09200 147.00 228.99 1.0000 0.0000 6.80272E-03 0.7002 0 1
2158 B 25.09900 145.00 228.96 1.0000 0.0000 6.89655E-03 0.7000 0 1
2159 B 25.10600 138.00 228.93 1.0000 0.0000 7.24638E-03 0.7000 0 1
2160 B 25.11300 157.00 228.89 1.0000 0.0000 6.36943E-03 0.7000 0 1
2161 B 25.12000 142.00 228.86 1.0000 0.0000 7.04225E-03 0.7000 0 1
2162 B 25.12700 153.00 228.83 1.0000 0.0000 6.53595E-03 0.7002 0 1
2163 B 25.13400 150.00 228.79 1.0000 0.0000 6.66667E-03 0.7000 0 1
2164 B 25.14100 146.00 228.76 1.0000 0.0000 6.84932E-03 0.7000 0 1
2165 B 25.14800 167.00 228.73 1.0000 0.0000 5.98802E-03 0.7000 0 1
2166 B 25.15500 147.00 228.69 1.0000 0.0000 6.80272E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 40
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2167 B 25.16200 159.00 228.66 1.0000 0.0000 6.28931E-03 0.7002 0 1
2168 B 25.16900 156.00 228.62 1.0000 0.0000 6.41026E-03 0.7000 0 1
2169 B 25.17600 140.00 228.59 1.0000 0.0000 7.14286E-03 0.7000 0 1
2170 B 25.18300 126.00 228.56 1.0000 0.0000 7.93651E-03 0.7000 0 1
2171 B 25.19000 127.00 228.52 1.0000 0.0000 7.87402E-03 0.7000 0 1
2172 B 25.19700 141.00 228.49 1.0000 0.0000 7.09220E-03 0.7002 0 1
2173 B 25.20400 159.00 228.46 1.0000 0.0000 6.28931E-03 0.7000 0 1
2174 B 25.21100 149.00 228.42 1.0000 0.0000 6.71141E-03 0.7000 0 1
2175 B 25.21800 146.00 228.39 1.0000 0.0000 6.84932E-03 0.7000 0 1
2176 B 25.22500 145.00 228.36 1.0000 0.0000 6.89655E-03 0.7000 0 1
2177 B 25.23200 142.00 228.32 1.0000 0.0000 7.04225E-03 0.7002 0 1
2178 B 25.23900 142.00 228.29 1.0000 0.0000 7.04225E-03 0.7000 0 1
2179 B 25.24600 126.00 228.26 1.0000 0.0000 7.93651E-03 0.7000 0 1
2180 B 25.25300 143.00 228.22 1.0000 0.0000 6.99301E-03 0.7000 0 1
2181 B 25.26000 144.00 228.19 1.0000 0.0000 6.94444E-03 0.7000 0 1
2182 B 25.26700 146.00 228.16 1.0000 0.0000 6.84932E-03 0.7002 0 1
2183 B 25.27400 153.00 228.12 1.0000 0.0000 6.53595E-03 0.7000 0 1
2184 B 25.28100 140.00 228.09 1.0000 0.0000 7.14286E-03 0.7000 0 1
2185 B 25.28800 154.00 228.06 1.0000 0.0000 6.49351E-03 0.7000 0 1
2186 B 25.29500 162.00 228.02 1.0000 0.0000 6.17284E-03 0.7000 0 1
2187 B 25.30200 143.00 227.99 1.0000 0.0000 6.99301E-03 0.7002 0 1
2188 B 25.30900 139.00 227.96 1.0000 0.0000 7.19424E-03 0.7000 0 1
2189 B 25.31600 149.00 227.92 1.0000 0.0000 6.71141E-03 0.7000 0 1
2190 B 25.32300 139.00 227.89 1.0000 0.0000 7.19424E-03 0.7000 0 1
2191 B 25.33000 139.00 227.86 1.0000 0.0000 7.19424E-03 0.7000 0 1
2192 B 25.33700 124.00 227.82 1.0000 0.0000 8.06452E-03 0.7002 0 1
2193 B 25.34400 140.00 227.79 1.0000 0.0000 7.14286E-03 0.7000 0 1
2194 B 25.35100 148.00 227.76 1.0000 0.0000 6.75676E-03 0.7000 0 1
2195 B 25.35800 168.00 227.72 1.0000 0.0000 5.95238E-03 0.7000 0 1
2196 B 25.36500 141.00 227.69 1.0000 0.0000 7.09220E-03 0.7000 0 1
2197 B 25.37200 141.00 227.66 1.0000 0.0000 7.09220E-03 0.7002 0 1
2198 B 25.37900 130.00 227.62 1.0000 0.0000 7.69231E-03 0.7000 0 1
2199 B 25.38600 124.00 227.59 1.0000 0.0000 8.06452E-03 0.7000 0 1
2200 B 25.39300 135.00 227.56 1.0000 0.0000 7.40741E-03 0.7000 0 1
2201 B 25.40000 156.00 227.52 1.0000 0.0000 6.41026E-03 0.7000 0 1
2202 B 25.40700 133.00 227.49 1.0000 0.0000 7.51880E-03 0.7002 0 1
2203 B 25.41400 136.00 227.46 1.0000 0.0000 7.35294E-03 0.7000 0 1
2204 B 25.42100 137.00 227.42 1.0000 0.0000 7.29927E-03 0.7000 0 1
2205 B 25.42800 153.00 227.39 1.0000 0.0000 6.53595E-03 0.7000 0 1
2206 B 25.43500 138.00 227.36 1.0000 0.0000 7.24638E-03 0.7000 0 1
2207 B 25.44200 141.00 227.32 1.0000 0.0000 7.09220E-03 0.7002 0 1
2208 B 25.44900 154.00 227.29 1.0000 0.0000 6.49351E-03 0.7000 0 1
2209 B 25.45600 156.00 227.26 1.0000 0.0000 6.41026E-03 0.7000 0 1
2210 B 25.46300 144.00 227.22 1.0000 0.0000 6.94444E-03 0.7000 0 1
2211 B 25.47000 159.00 227.19 1.0000 0.0000 6.28931E-03 0.7000 0 1
2212 B 25.47700 147.00 227.16 1.0000 0.0000 6.80272E-03 0.7002 0 1
2213 B 25.48400 126.00 227.12 1.0000 0.0000 7.93651E-03 0.7000 0 1
2214 B 25.49100 134.00 227.09 1.0000 0.0000 7.46269E-03 0.7000 0 1
2215 B 25.49800 143.00 227.06 1.0000 0.0000 6.99301E-03 0.7000 0 1
2216 B 25.50500 148.00 227.03 1.0000 0.0000 6.75676E-03 0.7000 0 1
2217 B 25.51200 148.00 226.99 1.0000 0.0000 6.75676E-03 0.7002 0 1
2218 B 25.51900 145.00 226.96 1.0000 0.0000 6.89655E-03 0.7000 0 1
2219 B 25.52600 136.00 226.93 1.0000 0.0000 7.35294E-03 0.7000 0 1
2220 B 25.53300 136.00 226.89 1.0000 0.0000 7.35294E-03 0.7000 0 1
2221 B 25.54000 154.00 226.86 1.0000 0.0000 6.49351E-03 0.7000 0 1
2222 B 25.54700 132.00 226.83 1.0000 0.0000 7.57576E-03 0.7002 0 1
2223 B 25.55400 127.00 226.79 1.0000 0.0000 7.87402E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 41
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2224 B 25.56100 135.00 226.76 1.0000 0.0000 7.40741E-03 0.7000 0 1
2225 B 25.56800 152.00 226.73 1.0000 0.0000 6.57895E-03 0.7000 0 1
2226 B 25.57500 146.00 226.69 1.0000 0.0000 6.84932E-03 0.7000 0 1
2227 B 25.58200 144.00 226.66 1.0000 0.0000 6.94444E-03 0.7002 0 1
2228 B 25.58900 142.00 226.63 1.0000 0.0000 7.04225E-03 0.7000 0 1
2229 B 25.59600 136.00 226.59 1.0000 0.0000 7.35294E-03 0.7000 0 1
2230 B 25.60300 154.00 226.56 1.0000 0.0000 6.49351E-03 0.7000 0 1
2231 B 25.61000 149.00 226.53 1.0000 0.0000 6.71141E-03 0.7000 0 1
2232 B 25.61700 142.00 226.49 1.0000 0.0000 7.04225E-03 0.7002 0 1
2233 B 25.62400 143.00 226.46 1.0000 0.0000 6.99301E-03 0.7000 0 1
2234 B 25.63100 131.00 226.43 1.0000 0.0000 7.63359E-03 0.7000 0 1
2235 B 25.63800 142.00 226.39 1.0000 0.0000 7.04225E-03 0.7000 0 1
2236 B 25.64500 143.00 226.36 1.0000 0.0000 6.99301E-03 0.7000 0 1
2237 B 25.65200 134.00 226.33 1.0000 0.0000 7.46269E-03 0.7002 0 1
2238 B 25.65900 148.00 226.29 1.0000 0.0000 6.75676E-03 0.7000 0 1
2239 B 25.66600 153.00 226.26 1.0000 0.0000 6.53595E-03 0.7000 0 1
2240 B 25.67300 142.00 226.23 1.0000 0.0000 7.04225E-03 0.7000 0 1
2241 B 25.68000 132.00 226.19 1.0000 0.0000 7.57576E-03 0.7000 0 1
2242 B 25.68700 139.00 226.16 1.0000 0.0000 7.19424E-03 0.7002 0 1
2243 B 25.69400 142.00 226.13 1.0000 0.0000 7.04225E-03 0.7000 0 1
2244 B 25.70100 146.00 226.10 1.0000 0.0000 6.84932E-03 0.7000 0 1
2245 B 25.70800 143.00 226.06 1.0000 0.0000 6.99301E-03 0.7000 0 1
2246 B 25.71500 145.00 226.03 1.0000 0.0000 6.89655E-03 0.7000 0 1
2247 B 25.72200 149.00 226.00 1.0000 0.0000 6.71141E-03 0.7002 0 1
2248 B 25.72900 133.00 225.96 1.0000 0.0000 7.51880E-03 0.7000 0 1
2249 B 25.73600 135.00 225.93 1.0000 0.0000 7.40741E-03 0.7000 0 1
2250 B 25.74300 122.00 225.90 1.0000 0.0000 8.19672E-03 0.7000 0 1
2251 B 25.75000 149.00 225.86 1.0000 0.0000 6.71141E-03 0.7000 0 1
2252 B 25.75700 141.00 225.83 1.0000 0.0000 7.09220E-03 0.7002 0 1
2253 B 25.76400 150.00 225.80 1.0000 0.0000 6.66667E-03 0.7000 0 1
2254 B 25.77100 151.00 225.76 1.0000 0.0000 6.62252E-03 0.7000 0 1
2255 B 25.77800 140.00 225.73 1.0000 0.0000 7.14286E-03 0.7000 0 1
2256 B 25.78500 124.00 225.70 1.0000 0.0000 8.06452E-03 0.7000 0 1
2257 B 25.79200 143.00 225.66 1.0000 0.0000 6.99301E-03 0.7002 0 1
2258 B 25.79900 117.00 225.63 1.0000 0.0000 8.54701E-03 0.7000 0 1
2259 B 25.80600 124.00 225.60 1.0000 0.0000 8.06452E-03 0.7000 0 1
2260 B 25.81300 129.00 225.56 1.0000 0.0000 7.75194E-03 0.7000 0 1
2261 B 25.82000 143.00 225.53 1.0000 0.0000 6.99301E-03 0.7000 0 1
2262 B 25.82700 138.00 225.50 1.0000 0.0000 7.24638E-03 0.7002 0 1
2263 B 25.83400 137.00 225.47 1.0000 0.0000 7.29927E-03 0.7000 0 1
2264 B 25.84100 135.00 225.43 1.0000 0.0000 7.40741E-03 0.7000 0 1
2265 B 25.84800 139.00 225.40 1.0000 0.0000 7.19424E-03 0.7000 0 1
2266 B 25.85500 144.00 225.37 1.0000 0.0000 6.94444E-03 0.7000 0 1
2267 B 25.86200 146.00 225.33 1.0000 0.0000 6.84932E-03 0.7002 0 1
2268 B 25.86900 134.00 225.30 1.0000 0.0000 7.46269E-03 0.7000 0 1
2269 B 25.87600 128.00 225.27 1.0000 0.0000 7.81250E-03 0.7000 0 1
2270 B 25.88300 140.00 225.23 1.0000 0.0000 7.14286E-03 0.7000 0 1
2271 B 25.89000 137.00 225.20 1.0000 0.0000 7.29927E-03 0.7000 0 1
2272 B 25.89700 126.00 225.17 1.0000 0.0000 7.93651E-03 0.7002 0 1
2273 B 25.90400 124.00 225.13 1.0000 0.0000 8.06452E-03 0.7000 0 1
2274 B 25.91100 125.00 225.10 1.0000 0.0000 8.00000E-03 0.7000 0 1
2275 B 25.91800 153.00 225.07 1.0000 0.0000 6.53595E-03 0.7000 0 1
2276 B 25.92500 147.00 225.04 1.0000 0.0000 6.80272E-03 0.7000 0 1
2277 B 25.93200 134.00 225.00 1.0000 0.0000 7.46269E-03 0.7002 0 1
2278 B 25.93900 129.00 224.97 1.0000 0.0000 7.75194E-03 0.7000 0 1
2279 B 25.94600 130.00 224.94 1.0000 0.0000 7.69231E-03 0.7000 0 1
2280 B 25.95300 136.00 224.90 1.0000 0.0000 7.35294E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 42
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2281 B 25.96000 151.00 224.87 1.0000 0.0000 6.62252E-03 0.7000 0 1
2282 B 25.96700 140.00 224.84 1.0000 0.0000 7.14286E-03 0.7002 0 1
2283 B 25.97400 148.00 224.80 1.0000 0.0000 6.75676E-03 0.7000 0 1
2284 B 25.98100 132.00 224.77 1.0000 0.0000 7.57576E-03 0.7000 0 1
2285 B 25.98800 133.00 224.74 1.0000 0.0000 7.51880E-03 0.7000 0 1
2286 B 25.99500 124.00 224.70 1.0000 0.0000 8.06452E-03 0.7000 0 1
2287 B 26.00200 131.00 224.67 1.0000 0.0000 7.63359E-03 0.7002 0 1
2288 B 26.00900 136.00 224.64 1.0000 0.0000 7.35294E-03 0.7000 0 1
2289 B 26.01600 142.00 224.61 1.0000 0.0000 7.04225E-03 0.7000 0 1
2290 B 26.02300 142.00 224.57 1.0000 0.0000 7.04225E-03 0.7000 0 1
2291 B 26.03000 132.00 224.54 1.0000 0.0000 7.57576E-03 0.7000 0 1
2292 B 26.03700 146.00 224.51 1.0000 0.0000 6.84932E-03 0.7002 0 1
2293 B 26.04400 143.00 224.47 1.0000 0.0000 6.99301E-03 0.7000 0 1
2294 B 26.05100 137.00 224.44 1.0000 0.0000 7.29927E-03 0.7000 0 1
2295 B 26.05800 132.00 224.41 1.0000 0.0000 7.57576E-03 0.7000 0 1
2296 B 26.06500 140.00 224.37 1.0000 0.0000 7.14286E-03 0.7000 0 1
2297 B 26.07200 154.00 224.34 1.0000 0.0000 6.49351E-03 0.7002 0 1
2298 B 26.07900 125.00 224.31 1.0000 0.0000 8.00000E-03 0.7000 0 1
2299 B 26.08600 131.00 224.28 1.0000 0.0000 7.63359E-03 0.7000 0 1
2300 B 26.09300 136.00 224.24 1.0000 0.0000 7.35294E-03 0.7000 0 1
2301 B 26.10000 139.00 224.21 1.0000 0.0000 7.19424E-03 0.7000 0 1
2302 B 26.10700 154.00 224.18 1.0000 0.0000 6.49351E-03 0.7002 0 1
2303 B 26.11400 122.00 224.14 1.0000 0.0000 8.19672E-03 0.7000 0 1
2304 B 26.12100 137.00 224.11 1.0000 0.0000 7.29927E-03 0.7000 0 1
2305 B 26.12800 141.00 224.08 1.0000 0.0000 7.09220E-03 0.7000 0 1
2306 B 26.13500 131.00 224.04 1.0000 0.0000 7.63359E-03 0.7000 0 1
2307 B 26.14200 129.00 224.01 1.0000 0.0000 7.75194E-03 0.7002 0 1
2308 B 26.14900 126.00 223.98 1.0000 0.0000 7.93651E-03 0.7000 0 1
2309 B 26.15600 130.00 223.95 1.0000 0.0000 7.69231E-03 0.7000 0 1
2310 B 26.16300 134.00 223.91 1.0000 0.0000 7.46269E-03 0.7000 0 1
2311 B 26.17000 143.00 223.88 1.0000 0.0000 6.99301E-03 0.7000 0 1
2312 B 26.17700 127.00 223.85 1.0000 0.0000 7.87402E-03 0.7002 0 1
2313 B 26.18400 137.00 223.81 1.0000 0.0000 7.29927E-03 0.7000 0 1
2314 B 26.19100 128.00 223.78 1.0000 0.0000 7.81250E-03 0.7000 0 1
2315 B 26.19800 126.00 223.75 1.0000 0.0000 7.93651E-03 0.7000 0 1
2316 B 26.20500 124.00 223.72 1.0000 0.0000 8.06452E-03 0.7000 0 1
2317 B 26.21200 132.00 223.68 1.0000 0.0000 7.57576E-03 0.7002 0 1
2318 B 26.21900 150.00 223.65 1.0000 0.0000 6.66667E-03 0.7000 0 1
2319 B 26.22600 133.00 223.62 1.0000 0.0000 7.51880E-03 0.7000 0 1
2320 B 26.23300 146.00 223.58 1.0000 0.0000 6.84932E-03 0.7000 0 1
2321 B 26.24000 131.00 223.55 1.0000 0.0000 7.63359E-03 0.7000 0 1
2322 B 26.24700 121.00 223.52 1.0000 0.0000 8.26446E-03 0.7002 0 1
2323 B 26.25400 140.00 223.48 1.0000 0.0000 7.14286E-03 0.7000 0 1
2324 B 26.26100 145.00 223.45 1.0000 0.0000 6.89655E-03 0.7000 0 1
2325 B 26.26800 131.00 223.42 1.0000 0.0000 7.63359E-03 0.7000 0 1
2326 B 26.27500 129.00 223.39 1.0000 0.0000 7.75194E-03 0.7000 0 1
2327 B 26.28200 134.00 223.35 1.0000 0.0000 7.46269E-03 0.7002 0 1
2328 B 26.28900 140.00 223.32 1.0000 0.0000 7.14286E-03 0.7000 0 1
2329 B 26.29600 149.00 223.29 1.0000 0.0000 6.71141E-03 0.7000 0 1
2330 B 26.30300 136.00 223.25 1.0000 0.0000 7.35294E-03 0.7000 0 1
2331 B 26.31000 165.00 223.22 1.0000 0.0000 6.06061E-03 0.7000 0 1
2332 B 26.31700 144.00 223.19 1.0000 0.0000 6.94444E-03 0.7002 0 1
2333 B 26.32400 147.00 223.16 1.0000 0.0000 6.80272E-03 0.7000 0 1
2334 B 26.33100 124.00 223.12 1.0000 0.0000 8.06452E-03 0.7000 0 1
2335 B 26.33800 133.00 223.09 1.0000 0.0000 7.51880E-03 0.7000 0 1
2336 B 26.34500 137.00 223.06 1.0000 0.0000 7.29927E-03 0.7000 0 1
2337 B 26.35200 129.00 223.02 1.0000 0.0000 7.75194E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 43
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2338 B 26.35900 131.00 222.99 1.0000 0.0000 7.63359E-03 0.7000 0 1
2339 B 26.36600 129.00 222.96 1.0000 0.0000 7.75194E-03 0.7000 0 1
2340 B 26.37300 132.00 222.93 1.0000 0.0000 7.57576E-03 0.7000 0 1
2341 B 26.38000 140.00 222.89 1.0000 0.0000 7.14286E-03 0.7000 0 1
2342 B 26.38700 144.00 222.86 1.0000 0.0000 6.94444E-03 0.7002 0 1
2343 B 26.39400 119.00 222.83 1.0000 0.0000 8.40336E-03 0.7000 0 1
2344 B 26.40100 122.00 222.79 1.0000 0.0000 8.19672E-03 0.7000 0 1
2345 B 26.40800 129.00 222.76 1.0000 0.0000 7.75194E-03 0.7000 0 1
2346 B 26.41500 151.00 222.73 1.0000 0.0000 6.62252E-03 0.7000 0 1
2347 B 26.42200 166.00 222.70 1.0000 0.0000 6.02410E-03 0.7002 0 1
2348 B 26.42900 123.00 222.66 1.0000 0.0000 8.13008E-03 0.7000 0 1
2349 B 26.43600 119.00 222.63 1.0000 0.0000 8.40336E-03 0.7000 0 1
2350 B 26.44300 122.00 222.60 1.0000 0.0000 8.19672E-03 0.7000 0 1
2351 B 26.45000 132.00 222.56 1.0000 0.0000 7.57576E-03 0.7000 0 1
2352 B 26.45700 136.00 222.53 1.0000 0.0000 7.35294E-03 0.7002 0 1
2353 B 26.46400 135.00 222.50 1.0000 0.0000 7.40741E-03 0.7000 0 1
2354 B 26.47100 129.00 222.47 1.0000 0.0000 7.75194E-03 0.7000 0 1
2355 B 26.47800 114.00 222.43 1.0000 0.0000 8.77193E-03 0.7000 0 1
2356 B 26.48500 126.00 222.40 1.0000 0.0000 7.93651E-03 0.7000 0 1
2357 B 26.49200 126.00 222.37 1.0000 0.0000 7.93651E-03 0.7002 0 1
2358 B 26.49900 124.00 222.33 1.0000 0.0000 8.06452E-03 0.7000 0 1
2359 B 26.50600 128.00 222.30 1.0000 0.0000 7.81250E-03 0.7000 0 1
2360 B 26.51300 133.00 222.27 1.0000 0.0000 7.51880E-03 0.7000 0 1
2361 B 26.52000 139.00 222.24 1.0000 0.0000 7.19424E-03 0.7000 0 1
2362 B 26.52700 131.00 222.20 1.0000 0.0000 7.63359E-03 0.7002 0 1
2363 B 26.53400 125.00 222.17 1.0000 0.0000 8.00000E-03 0.7000 0 1
2364 B 26.54100 137.00 222.14 1.0000 0.0000 7.29927E-03 0.7000 0 1
2365 B 26.54800 122.00 222.10 1.0000 0.0000 8.19672E-03 0.7000 0 1
2366 B 26.55500 128.00 222.07 1.0000 0.0000 7.81250E-03 0.7000 0 1
2367 B 26.56200 146.00 222.04 1.0000 0.0000 6.84932E-03 0.7002 0 1
2368 B 26.56900 142.00 222.01 1.0000 0.0000 7.04225E-03 0.7000 0 1
2369 B 26.57600 138.00 221.97 1.0000 0.0000 7.24638E-03 0.7000 0 1
2370 B 26.58300 127.00 221.94 1.0000 0.0000 7.87402E-03 0.7000 0 1
2371 B 26.59000 124.00 221.91 1.0000 0.0000 8.06452E-03 0.7000 0 1
2372 B 26.59700 123.00 221.87 1.0000 0.0000 8.13008E-03 0.7002 0 1
2373 B 26.60400 128.00 221.84 1.0000 0.0000 7.81250E-03 0.7000 0 1
2374 B 26.61100 123.00 221.81 1.0000 0.0000 8.13008E-03 0.7000 0 1
2375 B 26.61800 115.00 221.78 1.0000 0.0000 8.69565E-03 0.7000 0 1
2376 B 26.62500 122.00 221.74 1.0000 0.0000 8.19672E-03 0.7000 0 1
2377 B 26.63200 127.00 221.71 1.0000 0.0000 7.87402E-03 0.7002 0 1
2378 B 26.63900 135.00 221.68 1.0000 0.0000 7.40741E-03 0.7000 0 1
2379 B 26.64600 129.00 221.65 1.0000 0.0000 7.75194E-03 0.7000 0 1
2380 B 26.65300 124.00 221.61 1.0000 0.0000 8.06452E-03 0.7000 0 1
2381 B 26.66000 154.00 221.58 1.0000 0.0000 6.49351E-03 0.7000 0 1
2382 B 26.66700 147.00 221.55 1.0000 0.0000 6.80272E-03 0.7002 0 1
2383 B 26.67400 141.00 221.51 1.0000 0.0000 7.09220E-03 0.7000 0 1
2384 B 26.68100 141.00 221.48 1.0000 0.0000 7.09220E-03 0.7000 0 1
2385 B 26.68800 126.00 221.45 1.0000 0.0000 7.93651E-03 0.7000 0 1
2386 B 26.69500 126.00 221.42 1.0000 0.0000 7.93651E-03 0.7000 0 1
2387 B 26.70200 139.00 221.38 1.0000 0.0000 7.19424E-03 0.7002 0 1
2388 B 26.70900 133.00 221.35 1.0000 0.0000 7.51880E-03 0.7000 0 1
2389 B 26.71600 133.00 221.32 1.0000 0.0000 7.51880E-03 0.7000 0 1
2390 B 26.72300 139.00 221.29 1.0000 0.0000 7.19424E-03 0.7000 0 1
2391 B 26.73000 138.00 221.25 1.0000 0.0000 7.24638E-03 0.7000 0 1
2392 B 26.73700 137.00 221.22 1.0000 0.0000 7.29927E-03 0.7002 0 1
2393 B 26.74400 144.00 221.19 1.0000 0.0000 6.94444E-03 0.7000 0 1
2394 B 26.75100 133.00 221.15 1.0000 0.0000 7.51880E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 44
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2395 B 26.75800 126.00 221.12 1.0000 0.0000 7.93651E-03 0.7000 0 1
2396 B 26.76500 120.00 221.09 1.0000 0.0000 8.33333E-03 0.7000 0 1
2397 B 26.77200 130.00 221.06 1.0000 0.0000 7.69231E-03 0.7002 0 1
2398 B 26.77900 131.00 221.02 1.0000 0.0000 7.63359E-03 0.7000 0 1
2399 B 26.78600 133.00 220.99 1.0000 0.0000 7.51880E-03 0.7000 0 1
2400 B 26.79300 139.00 220.96 1.0000 0.0000 7.19424E-03 0.7000 0 1
2401 B 26.80000 132.00 220.93 1.0000 0.0000 7.57576E-03 0.7000 0 1
2402 B 26.80700 135.00 220.89 1.0000 0.0000 7.40741E-03 0.7002 0 1
2403 B 26.81400 130.00 220.86 1.0000 0.0000 7.69231E-03 0.7000 0 1
2404 B 26.82100 130.00 220.83 1.0000 0.0000 7.69231E-03 0.7000 0 1
2405 B 26.82800 124.00 220.79 1.0000 0.0000 8.06452E-03 0.7000 0 1
2406 B 26.83500 130.00 220.76 1.0000 0.0000 7.69231E-03 0.7000 0 1
2407 B 26.84200 123.00 220.73 1.0000 0.0000 8.13008E-03 0.7002 0 1
2408 B 26.84900 131.00 220.70 1.0000 0.0000 7.63359E-03 0.7000 0 1
2409 B 26.85600 129.00 220.66 1.0000 0.0000 7.75194E-03 0.7000 0 1
2410 B 26.86300 130.00 220.63 1.0000 0.0000 7.69231E-03 0.7000 0 1
2411 B 26.87000 145.00 220.60 1.0000 0.0000 6.89655E-03 0.7000 0 1
2412 B 26.87700 124.00 220.57 1.0000 0.0000 8.06452E-03 0.7002 0 1
2413 B 26.88400 123.00 220.53 1.0000 0.0000 8.13008E-03 0.7000 0 1
2414 B 26.89100 134.00 220.50 1.0000 0.0000 7.46269E-03 0.7000 0 1
2415 B 26.89800 138.00 220.47 1.0000 0.0000 7.24638E-03 0.7000 0 1
2416 B 26.90500 128.00 220.44 1.0000 0.0000 7.81250E-03 0.7000 0 1
2417 B 26.91200 123.00 220.40 1.0000 0.0000 8.13008E-03 0.7002 0 1
2418 B 26.91900 126.00 220.37 1.0000 0.0000 7.93651E-03 0.7000 0 1
2419 B 26.92600 141.00 220.34 1.0000 0.0000 7.09220E-03 0.7000 0 1
2420 B 26.93300 136.00 220.31 1.0000 0.0000 7.35294E-03 0.7000 0 1
2421 B 26.94000 127.00 220.27 1.0000 0.0000 7.87402E-03 0.7000 0 1
2422 B 26.94700 146.00 220.24 1.0000 0.0000 6.84932E-03 0.7002 0 1
2423 B 26.95400 123.00 220.21 1.0000 0.0000 8.13008E-03 0.7000 0 1
2424 B 26.96100 149.00 220.17 1.0000 0.0000 6.71141E-03 0.7000 0 1
2425 B 26.96800 125.00 220.14 1.0000 0.0000 8.00000E-03 0.7000 0 1
2426 B 26.97500 137.00 220.11 1.0000 0.0000 7.29927E-03 0.7000 0 1
2427 B 26.98200 128.00 220.08 1.0000 0.0000 7.81250E-03 0.7002 0 1
2428 B 26.98900 132.00 220.04 1.0000 0.0000 7.57576E-03 0.7000 0 1
2429 B 26.99600 130.00 220.01 1.0000 0.0000 7.69231E-03 0.7000 0 1
2430 B 27.00300 132.00 219.98 1.0000 0.0000 7.57576E-03 0.7000 0 1
2431 B 27.01000 132.00 219.95 1.0000 0.0000 7.57576E-03 0.7000 0 1
2432 B 27.01700 125.00 219.91 1.0000 0.0000 8.00000E-03 0.7002 0 1
2433 B 27.02400 120.00 219.88 1.0000 0.0000 8.33333E-03 0.7000 0 1
2434 B 27.03100 118.00 219.85 1.0000 0.0000 8.47458E-03 0.7000 0 1
2435 B 27.03800 127.00 219.82 1.0000 0.0000 7.87402E-03 0.7000 0 1
2436 B 27.04500 143.00 219.78 1.0000 0.0000 6.99301E-03 0.7000 0 1
2437 B 27.05200 132.00 219.75 1.0000 0.0000 7.57576E-03 0.7002 0 1
2438 B 27.05900 146.00 219.72 1.0000 0.0000 6.84932E-03 0.7000 0 1
2439 B 27.06600 123.00 219.69 1.0000 0.0000 8.13008E-03 0.7000 0 1
2440 B 27.07300 133.00 219.65 1.0000 0.0000 7.51880E-03 0.7000 0 1
2441 B 27.08000 138.00 219.62 1.0000 0.0000 7.24638E-03 0.7000 0 1
2442 B 27.08700 111.00 219.59 1.0000 0.0000 9.00901E-03 0.7002 0 1
2443 B 27.09400 121.00 219.56 1.0000 0.0000 8.26446E-03 0.7000 0 1
2444 B 27.10100 129.00 219.52 1.0000 0.0000 7.75194E-03 0.7000 0 1
2445 B 27.10800 146.00 219.49 1.0000 0.0000 6.84932E-03 0.7000 0 1
2446 B 27.11500 143.00 219.46 1.0000 0.0000 6.99301E-03 0.7000 0 1
2447 B 27.12200 119.00 219.43 1.0000 0.0000 8.40336E-03 0.7002 0 1
2448 B 27.12900 115.00 219.39 1.0000 0.0000 8.69565E-03 0.7000 0 1
2449 B 27.13600 132.00 219.36 1.0000 0.0000 7.57576E-03 0.7000 0 1
2450 B 27.14300 124.00 219.33 1.0000 0.0000 8.06452E-03 0.7000 0 1
2451 B 27.15000 137.00 219.30 1.0000 0.0000 7.29927E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 45
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2452 B 27.15700 109.00 219.26 1.0000 0.0000 9.17431E-03 0.7002 0 1
2453 B 27.16400 109.00 219.23 1.0000 0.0000 9.17431E-03 0.7000 0 1
2454 B 27.17100 119.00 219.20 1.0000 0.0000 8.40336E-03 0.7000 0 1
2455 B 27.17800 139.00 219.17 1.0000 0.0000 7.19424E-03 0.7000 0 1
2456 B 27.18500 125.00 219.13 1.0000 0.0000 8.00000E-03 0.7000 0 1
2457 B 27.19200 122.00 219.10 1.0000 0.0000 8.19672E-03 0.7002 0 1
2458 B 27.19900 124.00 219.07 1.0000 0.0000 8.06452E-03 0.7000 0 1
2459 B 27.20600 123.00 219.04 1.0000 0.0000 8.13008E-03 0.7000 0 1
2460 B 27.21300 119.00 219.00 1.0000 0.0000 8.40336E-03 0.7000 0 1
2461 B 27.22000 122.00 218.97 1.0000 0.0000 8.19672E-03 0.7000 0 1
2462 B 27.22700 125.00 218.94 1.0000 0.0000 8.00000E-03 0.7002 0 1
2463 B 27.23400 133.00 218.91 1.0000 0.0000 7.51880E-03 0.7000 0 1
2464 B 27.24100 115.00 218.87 1.0000 0.0000 8.69565E-03 0.7000 0 1
2465 B 27.24800 119.00 218.84 1.0000 0.0000 8.40336E-03 0.7000 0 1
2466 B 27.25500 142.00 218.81 1.0000 0.0000 7.04225E-03 0.7000 0 1
2467 B 27.26200 123.00 218.78 1.0000 0.0000 8.13008E-03 0.7002 0 1
2468 B 27.26900 99.000 218.74 1.0000 0.0000 1.01010E-02 0.7000 0 1
2469 B 27.27600 121.00 218.71 1.0000 0.0000 8.26446E-03 0.7000 0 1
2470 B 27.28300 122.00 218.68 1.0000 0.0000 8.19672E-03 0.7000 0 1
2471 B 27.29000 153.00 218.65 1.0000 0.0000 6.53595E-03 0.7000 0 1
2472 B 27.29700 139.00 218.61 1.0000 0.0000 7.19424E-03 0.7002 0 1
2473 B 27.30400 119.00 218.58 1.0000 0.0000 8.40336E-03 0.7000 0 1
2474 B 27.31100 116.00 218.55 1.0000 0.0000 8.62069E-03 0.7000 0 1
2475 B 27.31800 121.00 218.52 1.0000 0.0000 8.26446E-03 0.7000 0 1
2476 B 27.32500 120.00 218.48 1.0000 0.0000 8.33333E-03 0.7000 0 1
2477 B 27.33200 129.00 218.45 1.0000 0.0000 7.75194E-03 0.7002 0 1
2478 B 27.33900 128.00 218.42 1.0000 0.0000 7.81250E-03 0.7000 0 1
2479 B 27.34600 116.00 218.39 1.0000 0.0000 8.62069E-03 0.7000 0 1
2480 B 27.35300 123.00 218.35 1.0000 0.0000 8.13008E-03 0.7000 0 1
2481 B 27.36000 111.00 218.32 1.0000 0.0000 9.00901E-03 0.7000 0 1
2482 B 27.36700 128.00 218.29 1.0000 0.0000 7.81250E-03 0.7002 0 1
2483 B 27.37400 134.00 218.26 1.0000 0.0000 7.46269E-03 0.7000 0 1
2484 B 27.38100 126.00 218.22 1.0000 0.0000 7.93651E-03 0.7000 0 1
2485 B 27.38800 133.00 218.19 1.0000 0.0000 7.51880E-03 0.7000 0 1
2486 B 27.39500 110.00 218.16 1.0000 0.0000 9.09091E-03 0.7000 0 1
2487 B 27.40200 129.00 218.13 1.0000 0.0000 7.75194E-03 0.7002 0 1
2488 B 27.40900 118.00 218.09 1.0000 0.0000 8.47458E-03 0.7000 0 1
2489 B 27.41600 123.00 218.06 1.0000 0.0000 8.13008E-03 0.7000 0 1
2490 B 27.42300 128.00 218.03 1.0000 0.0000 7.81250E-03 0.7000 0 1
2491 B 27.43000 119.00 218.00 1.0000 0.0000 8.40336E-03 0.7000 0 1
2492 B 27.43700 118.00 217.96 1.0000 0.0000 8.47458E-03 0.7002 0 1
2493 B 27.44400 114.00 217.93 1.0000 0.0000 8.77193E-03 0.7000 0 1
2494 B 27.45100 120.00 217.90 1.0000 0.0000 8.33333E-03 0.7000 0 1
2495 B 27.45800 111.00 217.87 1.0000 0.0000 9.00901E-03 0.7000 0 1
2496 B 27.46500 131.00 217.83 1.0000 0.0000 7.63359E-03 0.7000 0 1
2497 B 27.47200 118.00 217.80 1.0000 0.0000 8.47458E-03 0.7002 0 1
2498 B 27.47900 119.00 217.77 1.0000 0.0000 8.40336E-03 0.7000 0 1
2499 B 27.48600 111.00 217.74 1.0000 0.0000 9.00901E-03 0.7000 0 1
2500 B 27.49300 99.000 217.70 1.0000 0.0000 1.01010E-02 0.7000 0 1
2501 B 27.50000 140.00 217.67 1.0000 0.0000 7.14286E-03 0.7000 0 1
2502 B 27.50700 133.00 217.64 1.0000 0.0000 7.51880E-03 0.7002 0 1
2503 B 27.51400 136.00 217.61 1.0000 0.0000 7.35294E-03 0.7000 0 1
2504 B 27.52100 118.00 217.58 1.0000 0.0000 8.47458E-03 0.7000 0 1
2505 B 27.52800 129.00 217.54 1.0000 0.0000 7.75194E-03 0.7000 0 1
2506 B 27.53500 125.00 217.51 1.0000 0.0000 8.00000E-03 0.7000 0 1
2507 B 27.54200 144.00 217.48 1.0000 0.0000 6.94444E-03 0.7002 0 1
2508 B 27.54900 133.00 217.45 1.0000 0.0000 7.51880E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 46
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2509 B 27.55600 120.00 217.41 1.0000 0.0000 8.33333E-03 0.7000 0 1
2510 B 27.56300 112.00 217.38 1.0000 0.0000 8.92857E-03 0.7000 0 1
2511 B 27.57000 127.00 217.35 1.0000 0.0000 7.87402E-03 0.7000 0 1
2512 B 27.57700 121.00 217.32 1.0000 0.0000 8.26446E-03 0.7002 0 1
2513 B 27.58400 110.00 217.28 1.0000 0.0000 9.09091E-03 0.7000 0 1
2514 B 27.59100 136.00 217.25 1.0000 0.0000 7.35294E-03 0.7000 0 1
2515 B 27.59800 115.00 217.22 1.0000 0.0000 8.69565E-03 0.7000 0 1
2516 B 27.60500 138.00 217.19 1.0000 0.0000 7.24638E-03 0.7000 0 1
2517 B 27.61200 130.00 217.15 1.0000 0.0000 7.69231E-03 0.7002 0 1
2518 B 27.61900 130.00 217.12 1.0000 0.0000 7.69231E-03 0.7000 0 1
2519 B 27.62600 128.00 217.09 1.0000 0.0000 7.81250E-03 0.7000 0 1
2520 B 27.63300 127.00 217.06 1.0000 0.0000 7.87402E-03 0.7000 0 1
2521 B 27.64000 118.00 217.03 1.0000 0.0000 8.47458E-03 0.7000 0 1
2522 B 27.64700 121.00 216.99 1.0000 0.0000 8.26446E-03 0.7002 0 1
2523 B 27.65400 121.00 216.96 1.0000 0.0000 8.26446E-03 0.7000 0 1
2524 B 27.66100 118.00 216.93 1.0000 0.0000 8.47458E-03 0.7000 0 1
2525 B 27.66800 127.00 216.90 1.0000 0.0000 7.87402E-03 0.7000 0 1
2526 B 27.67500 126.00 216.86 1.0000 0.0000 7.93651E-03 0.7000 0 1
2527 B 27.68200 118.00 216.83 1.0000 0.0000 8.47458E-03 0.7002 0 1
2528 B 27.68900 108.00 216.80 1.0000 0.0000 9.25926E-03 0.7000 0 1
2529 B 27.69600 119.00 216.77 1.0000 0.0000 8.40336E-03 0.7000 0 1
2530 B 27.70300 134.00 216.73 1.0000 0.0000 7.46269E-03 0.7000 0 1
2531 B 27.71000 135.00 216.70 1.0000 0.0000 7.40741E-03 0.7000 0 1
2532 B 27.71700 125.00 216.67 1.0000 0.0000 8.00000E-03 0.7002 0 1
2533 B 27.72400 115.00 216.64 1.0000 0.0000 8.69565E-03 0.7000 0 1
2534 B 27.73100 121.00 216.61 1.0000 0.0000 8.26446E-03 0.7000 0 1
2535 B 27.73800 117.00 216.57 1.0000 0.0000 8.54701E-03 0.7000 0 1
2536 B 27.74500 117.00 216.54 1.0000 0.0000 8.54701E-03 0.7000 0 1
2537 B 27.75200 128.00 216.51 1.0000 0.0000 7.81250E-03 0.7002 0 1
2538 B 27.75900 133.00 216.48 1.0000 0.0000 7.51880E-03 0.7000 0 1
2539 B 27.76600 124.00 216.44 1.0000 0.0000 8.06452E-03 0.7000 0 1
2540 B 27.77300 113.00 216.41 1.0000 0.0000 8.84956E-03 0.7000 0 1
2541 B 27.78000 107.00 216.38 1.0000 0.0000 9.34579E-03 0.7000 0 1
2542 B 27.78700 119.00 216.35 1.0000 0.0000 8.40336E-03 0.7002 0 1
2543 B 27.79400 115.00 216.32 1.0000 0.0000 8.69565E-03 0.7000 0 1
2544 B 27.80100 131.00 216.28 1.0000 0.0000 7.63359E-03 0.7000 0 1
2545 B 27.80800 108.00 216.25 1.0000 0.0000 9.25926E-03 0.7000 0 1
2546 B 27.81500 119.00 216.22 1.0000 0.0000 8.40336E-03 0.7000 0 1
2547 B 27.82200 124.00 216.19 1.0000 0.0000 8.06452E-03 0.7002 0 1
2548 B 27.82900 143.00 216.15 1.0000 0.0000 6.99301E-03 0.7000 0 1
2549 B 27.83600 139.00 216.12 1.0000 0.0000 7.19424E-03 0.7000 0 1
2550 B 27.84300 134.00 216.09 1.0000 0.0000 7.46269E-03 0.7000 0 1
2551 B 27.85000 115.00 216.06 1.0000 0.0000 8.69565E-03 0.7000 0 1
2552 B 27.85700 113.00 216.03 1.0000 0.0000 8.84956E-03 0.7002 0 1
2553 B 27.86400 106.00 215.99 1.0000 0.0000 9.43396E-03 0.7000 0 1
2554 B 27.87100 126.00 215.96 1.0000 0.0000 7.93651E-03 0.7000 0 1
2555 B 27.87800 128.00 215.93 1.0000 0.0000 7.81250E-03 0.7000 0 1
2556 B 27.88500 118.00 215.90 1.0000 0.0000 8.47458E-03 0.7000 0 1
2557 B 27.89200 125.00 215.86 1.0000 0.0000 8.00000E-03 0.7002 0 1
2558 B 27.89900 105.00 215.83 1.0000 0.0000 9.52381E-03 0.7000 0 1
2559 B 27.90600 115.00 215.80 1.0000 0.0000 8.69565E-03 0.7000 0 1
2560 B 27.91300 111.00 215.77 1.0000 0.0000 9.00901E-03 0.7000 0 1
2561 B 27.92000 121.00 215.74 1.0000 0.0000 8.26446E-03 0.7000 0 1
2562 B 27.92700 122.00 215.70 1.0000 0.0000 8.19672E-03 0.7002 0 1
2563 B 27.93400 112.00 215.67 1.0000 0.0000 8.92857E-03 0.7000 0 1
2564 B 27.94100 128.00 215.64 1.0000 0.0000 7.81250E-03 0.7000 0 1
2565 B 27.94800 130.00 215.61 1.0000 0.0000 7.69231E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 47
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2566 B 27.95500 138.00 215.57 1.0000 0.0000 7.24638E-03 0.7000 0 1
2567 B 27.96200 115.00 215.54 1.0000 0.0000 8.69565E-03 0.7002 0 1
2568 B 27.96900 122.00 215.51 1.0000 0.0000 8.19672E-03 0.7000 0 1
2569 B 27.97600 123.00 215.48 1.0000 0.0000 8.13008E-03 0.7000 0 1
2570 B 27.98300 128.00 215.45 1.0000 0.0000 7.81250E-03 0.7000 0 1
2571 B 27.99000 120.00 215.41 1.0000 0.0000 8.33333E-03 0.7000 0 1
2572 B 27.99700 117.00 215.38 1.0000 0.0000 8.54701E-03 0.7002 0 1
2573 B 28.00400 132.00 215.35 1.0000 0.0000 7.57576E-03 0.7000 0 1
2574 B 28.01100 114.00 215.32 1.0000 0.0000 8.77193E-03 0.7000 0 1
2575 B 28.01800 104.00 215.28 1.0000 0.0000 9.61538E-03 0.7000 0 1
2576 B 28.02500 104.00 215.25 1.0000 0.0000 9.61538E-03 0.7000 0 1
2577 B 28.03200 111.00 215.22 1.0000 0.0000 9.00901E-03 0.7002 0 1
2578 B 28.03900 118.00 215.19 1.0000 0.0000 8.47458E-03 0.7000 0 1
2579 B 28.04600 121.00 215.16 1.0000 0.0000 8.26446E-03 0.7000 0 1
2580 B 28.05300 126.00 215.12 1.0000 0.0000 7.93651E-03 0.7000 0 1
2581 B 28.06000 113.00 215.09 1.0000 0.0000 8.84956E-03 0.7000 0 1
2582 B 28.06700 118.00 215.06 1.0000 0.0000 8.47458E-03 0.7002 0 1
2583 B 28.07400 123.00 215.03 1.0000 0.0000 8.13008E-03 0.7000 0 1
2584 B 28.08100 114.00 215.00 1.0000 0.0000 8.77193E-03 0.7000 0 1
2585 B 28.08800 128.00 214.96 1.0000 0.0000 7.81250E-03 0.7000 0 1
2586 B 28.09500 114.00 214.93 1.0000 0.0000 8.77193E-03 0.7000 0 1
2587 B 28.10200 116.00 214.90 1.0000 0.0000 8.62069E-03 0.7002 0 1
2588 B 28.10900 122.00 214.87 1.0000 0.0000 8.19672E-03 0.7000 0 1
2589 B 28.11600 114.00 214.84 1.0000 0.0000 8.77193E-03 0.7000 0 1
2590 B 28.12300 134.00 214.80 1.0000 0.0000 7.46269E-03 0.7000 0 1
2591 B 28.13000 121.00 214.77 1.0000 0.0000 8.26446E-03 0.7000 0 1
2592 B 28.13700 136.00 214.74 1.0000 0.0000 7.35294E-03 0.7002 0 1
2593 B 28.14400 126.00 214.71 1.0000 0.0000 7.93651E-03 0.7000 0 1
2594 B 28.15100 120.00 214.67 1.0000 0.0000 8.33333E-03 0.7000 0 1
2595 B 28.15800 122.00 214.64 1.0000 0.0000 8.19672E-03 0.7000 0 1
2596 B 28.16500 123.00 214.61 1.0000 0.0000 8.13008E-03 0.7000 0 1
2597 B 28.17200 122.00 214.58 1.0000 0.0000 8.19672E-03 0.7002 0 1
2598 B 28.17900 111.00 214.55 1.0000 0.0000 9.00901E-03 0.7000 0 1
2599 B 28.18600 122.00 214.51 1.0000 0.0000 8.19672E-03 0.7000 0 1
2600 B 28.19300 118.00 214.48 1.0000 0.0000 8.47458E-03 0.7000 0 1
2601 B 28.20000 107.00 214.45 1.0000 0.0000 9.34579E-03 0.7000 0 1
2602 B 28.20700 107.00 214.42 1.0000 0.0000 9.34579E-03 0.7002 0 1
2603 B 28.21400 122.00 214.39 1.0000 0.0000 8.19672E-03 0.7000 0 1
2604 B 28.22100 134.00 214.35 1.0000 0.0000 7.46269E-03 0.7000 0 1
2605 B 28.22800 132.00 214.32 1.0000 0.0000 7.57576E-03 0.7000 0 1
2606 B 28.23500 124.00 214.29 1.0000 0.0000 8.06452E-03 0.7000 0 1
2607 B 28.24200 114.00 214.26 1.0000 0.0000 8.77193E-03 0.7002 0 1
2608 B 28.24900 111.00 214.23 1.0000 0.0000 9.00901E-03 0.7000 0 1
2609 B 28.25600 109.00 214.19 1.0000 0.0000 9.17431E-03 0.7000 0 1
2610 B 28.26300 124.00 214.16 1.0000 0.0000 8.06452E-03 0.7000 0 1
2611 B 28.27000 125.00 214.13 1.0000 0.0000 8.00000E-03 0.7000 0 1
2612 B 28.27700 124.00 214.10 1.0000 0.0000 8.06452E-03 0.7002 0 1
2613 B 28.28400 126.00 214.07 1.0000 0.0000 7.93651E-03 0.7000 0 1
2614 B 28.29100 125.00 214.03 1.0000 0.0000 8.00000E-03 0.7000 0 1
2615 B 28.29800 133.00 214.00 1.0000 0.0000 7.51880E-03 0.7000 0 1
2616 B 28.30500 134.00 213.97 1.0000 0.0000 7.46269E-03 0.7000 0 1
2617 . 28.31200 120.00 214.08 1.0000 0.0000 8.33333E-03 0.7002 3 1
2618 . 28.31900 114.00 214.06 1.0000 0.0000 8.77193E-03 0.7000 3 1
2619 . 28.32600 136.00 214.05 1.0000 0.0000 7.35294E-03 0.7000 3 1
2620 . 28.33300 120.00 214.03 1.0000 0.0000 8.33333E-03 0.7000 3 1
2621 . 28.34000 125.00 214.02 1.0000 0.0000 8.00000E-03 0.7000 3 1
2622 . 28.34700 118.00 214.01 1.0000 0.0000 8.47458E-03 0.7002 3 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 48
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2623 . 28.35400 127.00 214.01 1.0000 0.0000 7.87402E-03 0.7000 3 1
2624 . 28.36100 124.00 214.01 1.0000 0.0000 8.06452E-03 0.7000 3 1
2625 . 28.36800 126.00 214.02 1.0000 0.0000 7.93651E-03 0.7000 3 1
2626 . 28.37500 124.00 214.04 1.0000 0.0000 8.06452E-03 0.7000 3 1
2627 . 28.38200 124.00 214.08 1.0000 0.0000 8.06452E-03 0.7002 3 1
2628 . 28.38900 129.00 214.25 1.0000 0.0000 7.75194E-03 0.7000 3 2
2629 . 28.39600 121.00 214.43 1.0000 0.0000 8.26446E-03 0.7000 3 2
2630 . 28.40300 114.00 214.77 1.0000 0.0000 8.77193E-03 0.7000 3 2
2631 . 28.41000 125.00 215.36 1.0000 0.0000 8.00000E-03 0.7000 3 2
2632 . 28.41700 118.00 216.37 1.0000 0.0000 8.47458E-03 0.7002 3 2
2633 . 28.42400 116.00 217.93 1.0000 0.0000 8.62069E-03 0.7000 3 2
2634 . 28.43100 132.00 220.16 1.0000 0.0000 7.57576E-03 0.7000 3 2
2635 . 28.43800 137.00 223.05 1.0000 0.0000 7.29927E-03 0.7000 3 2
2636 . 28.44500 130.00 226.42 1.0000 0.0000 7.69231E-03 0.7000 3 2
2637 . 28.45200 138.00 229.85 1.0000 0.0000 7.24638E-03 0.7002 3 2
2638 . 28.45900 113.00 232.74 1.0000 0.0000 8.84956E-03 0.7000 3 2
2639 .1 28.46600 133.00 234.39 1.0000 0.0000 7.51880E-03 0.7000 3 2
2640 . 28.47300 132.00 234.35 1.0000 0.0000 7.57576E-03 0.7000 3 2
2641 . 28.48000 138.00 232.71 1.0000 0.0000 7.24638E-03 0.7000 3 2
2642 . 28.48700 151.00 230.11 1.0000 0.0000 6.62252E-03 0.7002 3 2
2643 . 28.49400 155.00 227.32 1.0000 0.0000 6.45161E-03 0.7000 3 2
2644 . 28.50100 143.00 225.01 1.0000 0.0000 6.99301E-03 0.7000 3 2
2645 . 28.50800 131.00 223.56 1.0000 0.0000 7.63359E-03 0.7000 3 2
2646 . 28.51500 143.00 223.04 1.0000 0.0000 6.99301E-03 0.7000 3 2
2647 . 28.52200 136.00 223.27 1.0000 0.0000 7.35294E-03 0.7002 3 2
2648 . 28.52900 129.00 223.82 1.0000 0.0000 7.75194E-03 0.7000 3 2
2649 .1 28.53600 108.00 224.21 1.0000 0.0000 9.25926E-03 0.7000 3 2
2650 . 28.54300 127.00 223.99 1.0000 0.0000 7.87402E-03 0.7000 3 2
2651 . 28.55000 127.00 223.03 1.0000 0.0000 7.87402E-03 0.7000 3 2
2652 . 28.55700 127.00 221.49 1.0000 0.0000 7.87402E-03 0.7002 3 2
2653 . 28.56400 135.00 219.69 1.0000 0.0000 7.40741E-03 0.7000 3 2
2654 . 28.57100 141.00 217.92 1.0000 0.0000 7.09220E-03 0.7000 3 2
2655 . 28.57800 141.00 216.38 1.0000 0.0000 7.09220E-03 0.7000 3 2
2656 . 28.58500 154.00 215.18 1.0000 0.0000 6.49351E-03 0.7000 3 2
2657 . 28.59200 146.00 214.32 1.0000 0.0000 6.84932E-03 0.7002 3 2
2658 . 28.59900 149.00 213.74 1.0000 0.0000 6.71141E-03 0.7000 3 2
2659 . 28.60600 152.00 213.37 1.0000 0.0000 6.57895E-03 0.7000 3 2
2660 . 28.61300 145.00 213.14 1.0000 0.0000 6.89655E-03 0.7000 3 2
2661 . 28.62000 134.00 212.83 1.0000 0.0000 7.46269E-03 0.7000 4 1
2662 . 28.62700 144.00 212.74 1.0000 0.0000 6.94444E-03 0.7002 4 1
2663 . 28.63400 137.00 212.66 1.0000 0.0000 7.29927E-03 0.7000 4 1
2664 . 28.64100 137.00 212.60 1.0000 0.0000 7.29927E-03 0.7000 4 1
2665 . 28.64800 138.00 212.55 1.0000 0.0000 7.24638E-03 0.7000 4 1
2666 . 28.65500 157.00 212.50 1.0000 0.0000 6.36943E-03 0.7000 4 1
2667 . 28.66200 149.00 212.46 1.0000 0.0000 6.71141E-03 0.7002 4 1
2668 . 28.66900 156.00 212.41 1.0000 0.0000 6.41026E-03 0.7000 4 1
2669 . 28.67600 144.00 212.37 1.0000 0.0000 6.94444E-03 0.7000 4 1
2670 . 28.68300 135.00 212.33 1.0000 0.0000 7.40741E-03 0.7000 4 1
2671 . 28.69000 144.00 212.29 1.0000 0.0000 6.94444E-03 0.7000 4 1
2672 B 28.69700 154.00 212.18 1.0000 0.0000 6.49351E-03 0.7002 0 1
2673 B 28.70400 165.00 212.15 1.0000 0.0000 6.06061E-03 0.7000 0 1
2674 B 28.71100 156.00 212.12 1.0000 0.0000 6.41026E-03 0.7000 0 1
2675 B 28.71800 158.00 212.09 1.0000 0.0000 6.32911E-03 0.7000 0 1
2676 B 28.72500 162.00 212.05 1.0000 0.0000 6.17284E-03 0.7000 0 1
2677 B 28.73200 150.00 212.02 1.0000 0.0000 6.66667E-03 0.7002 0 1
2678 B 28.73900 162.00 211.99 1.0000 0.0000 6.17284E-03 0.7000 0 1
2679 B 28.74600 161.00 211.96 1.0000 0.0000 6.21118E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 49
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2680 B 28.75300 145.00 211.93 1.0000 0.0000 6.89655E-03 0.7000 0 1
2681 B 28.76000 164.00 211.89 1.0000 0.0000 6.09756E-03 0.7000 0 1
2682 B 28.76700 173.00 211.86 1.0000 0.0000 5.78035E-03 0.7002 0 1
2683 B 28.77400 155.00 211.83 1.0000 0.0000 6.45161E-03 0.7000 0 1
2684 B 28.78100 143.00 211.80 1.0000 0.0000 6.99301E-03 0.7000 0 1
2685 B 28.78800 143.00 211.77 1.0000 0.0000 6.99301E-03 0.7000 0 1
2686 B 28.79500 168.00 211.74 1.0000 0.0000 5.95238E-03 0.7000 0 1
2687 B 28.80200 183.00 211.70 1.0000 0.0000 5.46448E-03 0.7002 0 1
2688 B 28.80900 157.00 211.67 1.0000 0.0000 6.36943E-03 0.7000 0 1
2689 B 28.81600 174.00 211.64 1.0000 0.0000 5.74713E-03 0.7000 0 1
2690 B 28.82300 168.00 211.61 1.0000 0.0000 5.95238E-03 0.7000 0 1
2691 B 28.83000 174.00 211.58 1.0000 0.0000 5.74713E-03 0.7000 0 1
2692 B 28.83700 174.00 211.54 1.0000 0.0000 5.74713E-03 0.7002 0 1
2693 B 28.84400 186.00 211.51 1.0000 0.0000 5.37634E-03 0.7000 0 1
2694 B 28.85100 192.00 211.48 1.0000 0.0000 5.20833E-03 0.7000 0 1
2695 B 28.85800 198.00 211.45 1.0000 0.0000 5.05051E-03 0.7000 0 1
2696 B 28.86500 180.00 211.42 1.0000 0.0000 5.55556E-03 0.7000 0 1
2697 B 28.87200 192.00 211.39 1.0000 0.0000 5.20833E-03 0.7002 0 1
2698 B 28.87900 226.00 211.35 1.0000 0.0000 4.42478E-03 0.7000 0 1
2699 B 28.88600 206.00 211.32 1.0000 0.0000 4.85437E-03 0.7000 0 1
2700 B 28.89300 209.00 211.29 1.0000 0.0000 4.78469E-03 0.7000 0 1
2701 B 28.90000 195.00 211.26 1.0000 0.0000 5.12821E-03 0.7000 0 1
2702 B 28.90700 204.00 211.23 1.0000 0.0000 4.90196E-03 0.7002 0 1
2703 B 28.91400 209.00 211.19 1.0000 0.0000 4.78469E-03 0.7000 0 1
2704 B 28.92100 217.00 211.16 1.0000 0.0000 4.60829E-03 0.7000 0 1
2705 B 28.92800 213.00 211.13 1.0000 0.0000 4.69484E-03 0.7000 0 1
2706 B 28.93500 218.00 211.10 1.0000 0.0000 4.58716E-03 0.7000 0 1
2707 B 28.94200 217.00 211.07 1.0000 0.0000 4.60829E-03 0.7002 0 1
2708 B 28.94900 218.00 211.04 1.0000 0.0000 4.58716E-03 0.7000 0 1
2709 B 28.95600 221.00 211.00 1.0000 0.0000 4.52489E-03 0.7000 0 1
2710 B 28.96300 221.00 210.97 1.0000 0.0000 4.52489E-03 0.7000 0 1
2711 B 28.97000 220.00 210.94 1.0000 0.0000 4.54545E-03 0.7000 0 1
2712 B 28.97700 222.00 210.91 1.0000 0.0000 4.50450E-03 0.7002 0 1
2713 B 28.98400 216.00 210.88 1.0000 0.0000 4.62963E-03 0.7000 0 1
2714 B 28.99100 213.00 210.85 1.0000 0.0000 4.69484E-03 0.7000 0 1
2715 B 28.99800 219.00 210.81 1.0000 0.0000 4.56621E-03 0.7000 0 1
2716 B 29.00500 224.00 210.78 1.0000 0.0000 4.46429E-03 0.7000 0 1
2717 B 29.01200 208.00 210.75 1.0000 0.0000 4.80769E-03 0.7002 0 1
2718 B 29.01900 208.00 210.72 1.0000 0.0000 4.80769E-03 0.7000 0 1
2719 B 29.02600 224.00 210.69 1.0000 0.0000 4.46429E-03 0.7000 0 1
2720 B 29.03300 203.00 210.66 1.0000 0.0000 4.92611E-03 0.7000 0 1
2721 B 29.04000 201.00 210.62 1.0000 0.0000 4.97512E-03 0.7000 0 1
2722 B 29.04700 205.00 210.59 1.0000 0.0000 4.87805E-03 0.7002 0 1
2723 B 29.05400 215.00 210.56 1.0000 0.0000 4.65116E-03 0.7000 0 1
2724 B 29.06100 227.00 210.53 1.0000 0.0000 4.40529E-03 0.7000 0 1
2725 B 29.06800 219.00 210.50 1.0000 0.0000 4.56621E-03 0.7000 0 1
2726 B 29.07500 214.00 210.47 1.0000 0.0000 4.67290E-03 0.7000 0 1
2727 B 29.08200 189.00 210.43 1.0000 0.0000 5.29101E-03 0.7002 0 1
2728 B 29.08900 211.00 210.40 1.0000 0.0000 4.73934E-03 0.7000 0 1
2729 B 29.09600 198.00 210.37 1.0000 0.0000 5.05051E-03 0.7000 0 1
2730 B 29.10300 178.00 210.34 1.0000 0.0000 5.61798E-03 0.7000 0 1
2731 B 29.11000 185.00 210.31 1.0000 0.0000 5.40541E-03 0.7000 0 1
2732 B 29.11700 192.00 210.28 1.0000 0.0000 5.20833E-03 0.7002 0 1
2733 B 29.12400 172.00 210.24 1.0000 0.0000 5.81395E-03 0.7000 0 1
2734 B 29.13100 177.00 210.21 1.0000 0.0000 5.64972E-03 0.7000 0 1
2735 B 29.13800 172.00 210.18 1.0000 0.0000 5.81395E-03 0.7000 0 1
2736 B 29.14500 169.00 210.15 1.0000 0.0000 5.91716E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 50
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2737 B 29.15200 192.00 210.12 1.0000 0.0000 5.20833E-03 0.7002 0 1
2738 B 29.15900 170.00 210.09 1.0000 0.0000 5.88235E-03 0.7000 0 1
2739 B 29.16600 155.00 210.05 1.0000 0.0000 6.45161E-03 0.7000 0 1
2740 B 29.17300 165.00 210.02 1.0000 0.0000 6.06061E-03 0.7000 0 1
2741 B 29.18000 167.00 209.99 1.0000 0.0000 5.98802E-03 0.7000 0 1
2742 B 29.18700 165.00 209.96 1.0000 0.0000 6.06061E-03 0.7002 0 1
2743 B 29.19400 150.00 209.93 1.0000 0.0000 6.66667E-03 0.7000 0 1
2744 B 29.20100 160.00 209.90 1.0000 0.0000 6.25000E-03 0.7000 0 1
2745 B 29.20800 156.00 209.86 1.0000 0.0000 6.41026E-03 0.7000 0 1
2746 B 29.21500 175.00 209.83 1.0000 0.0000 5.71429E-03 0.7000 0 1
2747 B 29.22200 164.00 209.80 1.0000 0.0000 6.09756E-03 0.7002 0 1
2748 B 29.22900 152.00 209.77 1.0000 0.0000 6.57895E-03 0.7000 0 1
2749 B 29.23600 144.00 209.74 1.0000 0.0000 6.94444E-03 0.7000 0 1
2750 B 29.24300 157.00 209.71 1.0000 0.0000 6.36943E-03 0.7000 0 1
2751 B 29.25000 161.00 209.67 1.0000 0.0000 6.21118E-03 0.7000 0 1
2752 B 29.25700 150.00 209.64 1.0000 0.0000 6.66667E-03 0.7002 0 1
2753 B 29.26400 140.00 209.61 1.0000 0.0000 7.14286E-03 0.7000 0 1
2754 B 29.27100 135.00 209.58 1.0000 0.0000 7.40741E-03 0.7000 0 1
2755 B 29.27800 137.00 209.55 1.0000 0.0000 7.29927E-03 0.7000 0 1
2756 B 29.28500 135.00 209.52 1.0000 0.0000 7.40741E-03 0.7000 0 1
2757 B 29.29200 151.00 209.48 1.0000 0.0000 6.62252E-03 0.7002 0 1
2758 B 29.29900 142.00 209.45 1.0000 0.0000 7.04225E-03 0.7000 0 1
2759 B 29.30600 137.00 209.42 1.0000 0.0000 7.29927E-03 0.7000 0 1
2760 B 29.31300 122.00 209.39 1.0000 0.0000 8.19672E-03 0.7000 0 1
2761 B 29.32000 142.00 209.36 1.0000 0.0000 7.04225E-03 0.7000 0 1
2762 B 29.32700 138.00 209.33 1.0000 0.0000 7.24638E-03 0.7002 0 1
2763 B 29.33400 110.00 209.30 1.0000 0.0000 9.09091E-03 0.7000 0 1
2764 B 29.34100 132.00 209.26 1.0000 0.0000 7.57576E-03 0.7000 0 1
2765 B 29.34800 129.00 209.23 1.0000 0.0000 7.75194E-03 0.7000 0 1
2766 B 29.35500 129.00 209.20 1.0000 0.0000 7.75194E-03 0.7000 0 1
2767 B 29.36200 118.00 209.17 1.0000 0.0000 8.47458E-03 0.7002 0 1
2768 B 29.36900 115.00 209.14 1.0000 0.0000 8.69565E-03 0.7000 0 1
2769 B 29.37600 122.00 209.11 1.0000 0.0000 8.19672E-03 0.7000 0 1
2770 B 29.38300 126.00 209.07 1.0000 0.0000 7.93651E-03 0.7000 0 1
2771 B 29.39000 121.00 209.04 1.0000 0.0000 8.26446E-03 0.7000 0 1
2772 B 29.39700 115.00 209.01 1.0000 0.0000 8.69565E-03 0.7002 0 1
2773 B 29.40400 125.00 208.98 1.0000 0.0000 8.00000E-03 0.7000 0 1
2774 B 29.41100 115.00 208.95 1.0000 0.0000 8.69565E-03 0.7000 0 1
2775 B 29.41800 117.00 208.92 1.0000 0.0000 8.54701E-03 0.7000 0 1
2776 B 29.42500 107.00 208.88 1.0000 0.0000 9.34579E-03 0.7000 0 1
2777 B 29.43200 110.00 208.85 1.0000 0.0000 9.09091E-03 0.7002 0 1
2778 B 29.43900 119.00 208.82 1.0000 0.0000 8.40336E-03 0.7000 0 1
2779 B 29.44600 127.00 208.79 1.0000 0.0000 7.87402E-03 0.7000 0 1
2780 B 29.45300 125.00 208.76 1.0000 0.0000 8.00000E-03 0.7000 0 1
2781 B 29.46000 112.00 208.73 1.0000 0.0000 8.92857E-03 0.7000 0 1
2782 B 29.46700 116.00 208.70 1.0000 0.0000 8.62069E-03 0.7002 0 1
2783 B 29.47400 130.00 208.66 1.0000 0.0000 7.69231E-03 0.7000 0 1
2784 B 29.48100 129.00 208.63 1.0000 0.0000 7.75194E-03 0.7000 0 1
2785 B 29.48800 124.00 208.60 1.0000 0.0000 8.06452E-03 0.7000 0 1
2786 B 29.49500 113.00 208.57 1.0000 0.0000 8.84956E-03 0.7000 0 1
2787 B 29.50200 133.00 208.54 1.0000 0.0000 7.51880E-03 0.7002 0 1
2788 B 29.50900 115.00 208.51 1.0000 0.0000 8.69565E-03 0.7000 0 1
2789 B 29.51600 110.00 208.48 1.0000 0.0000 9.09091E-03 0.7000 0 1
2790 B 29.52300 117.00 208.44 1.0000 0.0000 8.54701E-03 0.7000 0 1
2791 B 29.53000 118.00 208.41 1.0000 0.0000 8.47458E-03 0.7000 0 1
2792 B 29.53700 110.00 208.38 1.0000 0.0000 9.09091E-03 0.7002 0 1
2793 B 29.54400 116.00 208.35 1.0000 0.0000 8.62069E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 51
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2794 B 29.55100 110.00 208.32 1.0000 0.0000 9.09091E-03 0.7000 0 1
2795 B 29.55800 114.00 208.29 1.0000 0.0000 8.77193E-03 0.7000 0 1
2796 B 29.56500 108.00 208.25 1.0000 0.0000 9.25926E-03 0.7000 0 1
2797 B 29.57200 122.00 208.22 1.0000 0.0000 8.19672E-03 0.7002 0 1
2798 B 29.57900 117.00 208.19 1.0000 0.0000 8.54701E-03 0.7000 0 1
2799 B 29.58600 119.00 208.16 1.0000 0.0000 8.40336E-03 0.7000 0 1
2800 B 29.59300 115.00 208.13 1.0000 0.0000 8.69565E-03 0.7000 0 1
2801 B 29.60000 112.00 208.10 1.0000 0.0000 8.92857E-03 0.7000 0 1
2802 B 29.60700 110.00 208.07 1.0000 0.0000 9.09091E-03 0.7002 0 1
2803 B 29.61400 98.000 208.03 1.0000 0.0000 1.02041E-02 0.7000 0 1
2804 B 29.62100 95.000 208.00 1.0000 0.0000 1.05263E-02 0.7000 0 1
2805 B 29.62800 122.00 207.97 1.0000 0.0000 8.19672E-03 0.7000 0 1
2806 B 29.63500 109.00 207.94 1.0000 0.0000 9.17431E-03 0.7000 0 1
2807 B 29.64200 104.00 207.91 1.0000 0.0000 9.61538E-03 0.7002 0 1
2808 B 29.64900 125.00 207.88 1.0000 0.0000 8.00000E-03 0.7000 0 1
2809 B 29.65600 101.00 207.85 1.0000 0.0000 9.90099E-03 0.7000 0 1
2810 B 29.66300 111.00 207.81 1.0000 0.0000 9.00901E-03 0.7000 0 1
2811 B 29.67000 119.00 207.78 1.0000 0.0000 8.40336E-03 0.7000 0 1
2812 B 29.67700 116.00 207.75 1.0000 0.0000 8.62069E-03 0.7002 0 1
2813 B 29.68400 113.00 207.72 1.0000 0.0000 8.84956E-03 0.7000 0 1
2814 B 29.69100 114.00 207.69 1.0000 0.0000 8.77193E-03 0.7000 0 1
2815 B 29.69800 116.00 207.66 1.0000 0.0000 8.62069E-03 0.7000 0 1
2816 B 29.70500 111.00 207.63 1.0000 0.0000 9.00901E-03 0.7000 0 1
2817 B 29.71200 108.00 207.59 1.0000 0.0000 9.25926E-03 0.7002 0 1
2818 B 29.71900 115.00 207.56 1.0000 0.0000 8.69565E-03 0.7000 0 1
2819 B 29.72600 114.00 207.53 1.0000 0.0000 8.77193E-03 0.7000 0 1
2820 B 29.73300 110.00 207.50 1.0000 0.0000 9.09091E-03 0.7000 0 1
2821 B 29.74000 110.00 207.47 1.0000 0.0000 9.09091E-03 0.7000 0 1
2822 B 29.74700 107.00 207.44 1.0000 0.0000 9.34579E-03 0.7002 0 1
2823 B 29.75400 102.00 207.41 1.0000 0.0000 9.80392E-03 0.7000 0 1
2824 B 29.76100 117.00 207.37 1.0000 0.0000 8.54701E-03 0.7000 0 1
2825 B 29.76800 117.00 207.34 1.0000 0.0000 8.54701E-03 0.7000 0 1
2826 B 29.77500 111.00 207.31 1.0000 0.0000 9.00901E-03 0.7000 0 1
2827 B 29.78200 107.00 207.28 1.0000 0.0000 9.34579E-03 0.7002 0 1
2828 B 29.78900 109.00 207.25 1.0000 0.0000 9.17431E-03 0.7000 0 1
2829 B 29.79600 106.00 207.22 1.0000 0.0000 9.43396E-03 0.7000 0 1
2830 B 29.80300 107.00 207.19 1.0000 0.0000 9.34579E-03 0.7000 0 1
2831 B 29.81000 110.00 207.16 1.0000 0.0000 9.09091E-03 0.7000 0 1
2832 B 29.81700 106.00 207.12 1.0000 0.0000 9.43396E-03 0.7002 0 1
2833 B 29.82400 108.00 207.09 1.0000 0.0000 9.25926E-03 0.7000 0 1
2834 B 29.83100 102.00 207.06 1.0000 0.0000 9.80392E-03 0.7000 0 1
2835 B 29.83800 113.00 207.03 1.0000 0.0000 8.84956E-03 0.7000 0 1
2836 B 29.84500 108.00 207.00 1.0000 0.0000 9.25926E-03 0.7000 0 1
2837 B 29.85200 100.00 206.97 1.0000 0.0000 1.00000E-02 0.7002 0 1
2838 B 29.85900 110.00 206.94 1.0000 0.0000 9.09091E-03 0.7000 0 1
2839 B 29.86600 107.00 206.90 1.0000 0.0000 9.34579E-03 0.7000 0 1
2840 B 29.87300 85.000 206.87 1.0000 0.0000 1.17647E-02 0.7000 0 1
2841 B 29.88000 106.00 206.84 1.0000 0.0000 9.43396E-03 0.7000 0 1
2842 B 29.88700 97.000 206.81 1.0000 0.0000 1.03093E-02 0.7002 0 1
2843 B 29.89400 101.00 206.78 1.0000 0.0000 9.90099E-03 0.7000 0 1
2844 B 29.90100 91.000 206.75 1.0000 0.0000 1.09890E-02 0.7000 0 1
2845 B 29.90800 99.000 206.72 1.0000 0.0000 1.01010E-02 0.7000 0 1
2846 B 29.91500 103.00 206.69 1.0000 0.0000 9.70874E-03 0.7000 0 1
2847 B 29.92200 100.00 206.65 1.0000 0.0000 1.00000E-02 0.7002 0 1
2848 B 29.92900 95.000 206.62 1.0000 0.0000 1.05263E-02 0.7000 0 1
2849 B 29.93600 112.00 206.59 1.0000 0.0000 8.92857E-03 0.7000 0 1
2850 B 29.94300 107.00 206.56 1.0000 0.0000 9.34579E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 52
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2851 B 29.95000 109.00 206.53 1.0000 0.0000 9.17431E-03 0.7000 0 1
2852 B 29.95700 111.00 206.50 1.0000 0.0000 9.00901E-03 0.7002 0 1
2853 B 29.96400 108.00 206.47 1.0000 0.0000 9.25926E-03 0.7000 0 1
2854 B 29.97100 110.00 206.43 1.0000 0.0000 9.09091E-03 0.7000 0 1
2855 B 29.97800 119.00 206.40 1.0000 0.0000 8.40336E-03 0.7000 0 1
2856 B 29.98500 102.00 206.37 1.0000 0.0000 9.80392E-03 0.7000 0 1
2857 B 29.99200 105.00 206.34 1.0000 0.0000 9.52381E-03 0.7002 0 1
2858 B 29.99900 100.00 206.31 1.0000 0.0000 1.00000E-02 0.7000 0 1
2859 B 30.00600 101.00 206.28 1.0000 0.0000 9.90099E-03 0.7000 0 1
2860 B 30.01300 109.00 206.25 1.0000 0.0000 9.17431E-03 0.7000 0 1
2861 B 30.02000 110.00 206.22 1.0000 0.0000 9.09091E-03 0.7000 0 1
2862 B 30.02700 101.00 206.18 1.0000 0.0000 9.90099E-03 0.7002 0 1
2863 B 30.03400 102.00 206.15 1.0000 0.0000 9.80392E-03 0.7000 0 1
2864 B 30.04100 120.00 206.12 1.0000 0.0000 8.33333E-03 0.7000 0 1
2865 B 30.04800 90.000 206.09 1.0000 0.0000 1.11111E-02 0.7000 0 1
2866 B 30.05500 86.000 206.06 1.0000 0.0000 1.16279E-02 0.7000 0 1
2867 B 30.06200 90.000 206.03 1.0000 0.0000 1.11111E-02 0.7002 0 1
2868 B 30.06900 83.000 206.00 1.0000 0.0000 1.20482E-02 0.7000 0 1
2869 B 30.07600 95.000 205.97 1.0000 0.0000 1.05263E-02 0.7000 0 1
2870 B 30.08300 97.000 205.93 1.0000 0.0000 1.03093E-02 0.7000 0 1
2871 B 30.09000 107.00 205.90 1.0000 0.0000 9.34579E-03 0.7000 0 1
2872 B 30.09700 119.00 205.87 1.0000 0.0000 8.40336E-03 0.7002 0 1
2873 B 30.10400 116.00 205.84 1.0000 0.0000 8.62069E-03 0.7000 0 1
2874 B 30.11100 96.000 205.81 1.0000 0.0000 1.04167E-02 0.7000 0 1
2875 B 30.11800 100.00 205.78 1.0000 0.0000 1.00000E-02 0.7000 0 1
2876 B 30.12500 103.00 205.75 1.0000 0.0000 9.70874E-03 0.7000 0 1
2877 B 30.13200 99.000 205.72 1.0000 0.0000 1.01010E-02 0.7002 0 1
2878 B 30.13900 100.00 205.68 1.0000 0.0000 1.00000E-02 0.7000 0 1
2879 B 30.14600 106.00 205.65 1.0000 0.0000 9.43396E-03 0.7000 0 1
2880 B 30.15300 116.00 205.62 1.0000 0.0000 8.62069E-03 0.7000 0 1
2881 B 30.16000 106.00 205.59 1.0000 0.0000 9.43396E-03 0.7000 0 1
2882 B 30.16700 98.000 205.56 1.0000 0.0000 1.02041E-02 0.7002 0 1
2883 B 30.17400 106.00 205.53 1.0000 0.0000 9.43396E-03 0.7000 0 1
2884 B 30.18100 102.00 205.50 1.0000 0.0000 9.80392E-03 0.7000 0 1
2885 B 30.18800 118.00 205.47 1.0000 0.0000 8.47458E-03 0.7000 0 1
2886 B 30.19500 111.00 205.43 1.0000 0.0000 9.00901E-03 0.7000 0 1
2887 B 30.20200 98.000 205.40 1.0000 0.0000 1.02041E-02 0.7002 0 1
2888 B 30.20900 100.00 205.37 1.0000 0.0000 1.00000E-02 0.7000 0 1
2889 B 30.21600 95.000 205.34 1.0000 0.0000 1.05263E-02 0.7000 0 1
2890 B 30.22300 94.000 205.31 1.0000 0.0000 1.06383E-02 0.7000 0 1
2891 B 30.23000 91.000 205.28 1.0000 0.0000 1.09890E-02 0.7000 0 1
2892 B 30.23700 95.000 205.25 1.0000 0.0000 1.05263E-02 0.7002 0 1
2893 B 30.24400 100.00 205.22 1.0000 0.0000 1.00000E-02 0.7000 0 1
2894 B 30.25100 103.00 205.19 1.0000 0.0000 9.70874E-03 0.7000 0 1
2895 B 30.25800 110.00 205.15 1.0000 0.0000 9.09091E-03 0.7000 0 1
2896 B 30.26500 128.00 205.12 1.0000 0.0000 7.81250E-03 0.7000 0 1
2897 B 30.27200 96.000 205.09 1.0000 0.0000 1.04167E-02 0.7002 0 1
2898 B 30.27900 100.00 205.06 1.0000 0.0000 1.00000E-02 0.7000 0 1
2899 B 30.28600 93.000 205.03 1.0000 0.0000 1.07527E-02 0.7000 0 1
2900 B 30.29300 97.000 205.00 1.0000 0.0000 1.03093E-02 0.7000 0 1
2901 B 30.30000 86.000 204.97 1.0000 0.0000 1.16279E-02 0.7000 0 1
2902 B 30.30700 91.000 204.94 1.0000 0.0000 1.09890E-02 0.7002 0 1
2903 B 30.31400 92.000 204.91 1.0000 0.0000 1.08696E-02 0.7000 0 1
2904 B 30.32100 99.000 204.87 1.0000 0.0000 1.01010E-02 0.7000 0 1
2905 B 30.32800 98.000 204.84 1.0000 0.0000 1.02041E-02 0.7000 0 1
2906 B 30.33500 100.00 204.81 1.0000 0.0000 1.00000E-02 0.7000 0 1
2907 B 30.34200 99.000 204.78 1.0000 0.0000 1.01010E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 53
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2908 B 30.34900 107.00 204.75 1.0000 0.0000 9.34579E-03 0.7000 0 1
2909 B 30.35600 93.000 204.72 1.0000 0.0000 1.07527E-02 0.7000 0 1
2910 B 30.36300 104.00 204.69 1.0000 0.0000 9.61538E-03 0.7000 0 1
2911 B 30.37000 94.000 204.66 1.0000 0.0000 1.06383E-02 0.7000 0 1
2912 B 30.37700 93.000 204.63 1.0000 0.0000 1.07527E-02 0.7002 0 1
2913 B 30.38400 110.00 204.59 1.0000 0.0000 9.09091E-03 0.7000 0 1
2914 B 30.39100 102.00 204.56 1.0000 0.0000 9.80392E-03 0.7000 0 1
2915 B 30.39800 94.000 204.53 1.0000 0.0000 1.06383E-02 0.7000 0 1
2916 B 30.40500 98.000 204.50 1.0000 0.0000 1.02041E-02 0.7000 0 1
2917 B 30.41200 104.00 204.47 1.0000 0.0000 9.61538E-03 0.7002 0 1
2918 B 30.41900 109.00 204.44 1.0000 0.0000 9.17431E-03 0.7000 0 1
2919 B 30.42600 107.00 204.41 1.0000 0.0000 9.34579E-03 0.7000 0 1
2920 B 30.43300 102.00 204.38 1.0000 0.0000 9.80392E-03 0.7000 0 1
2921 B 30.44000 96.000 204.35 1.0000 0.0000 1.04167E-02 0.7000 0 1
2922 B 30.44700 95.000 204.31 1.0000 0.0000 1.05263E-02 0.7002 0 1
2923 B 30.45400 94.000 204.28 1.0000 0.0000 1.06383E-02 0.7000 0 1
2924 B 30.46100 111.00 204.25 1.0000 0.0000 9.00901E-03 0.7000 0 1
2925 B 30.46800 95.000 204.22 1.0000 0.0000 1.05263E-02 0.7000 0 1
2926 B 30.47500 98.000 204.19 1.0000 0.0000 1.02041E-02 0.7000 0 1
2927 B 30.48200 116.00 204.16 1.0000 0.0000 8.62069E-03 0.7002 0 1
2928 B 30.48900 103.00 204.13 1.0000 0.0000 9.70874E-03 0.7000 0 1
2929 B 30.49600 100.00 204.10 1.0000 0.0000 1.00000E-02 0.7000 0 1
2930 B 30.50300 86.000 204.07 1.0000 0.0000 1.16279E-02 0.7000 0 1
2931 B 30.51000 103.00 204.03 1.0000 0.0000 9.70874E-03 0.7000 0 1
2932 B 30.51700 91.000 204.00 1.0000 0.0000 1.09890E-02 0.7002 0 1
2933 B 30.52400 99.000 203.97 1.0000 0.0000 1.01010E-02 0.7000 0 1
2934 B 30.53100 97.000 203.94 1.0000 0.0000 1.03093E-02 0.7000 0 1
2935 B 30.53800 94.000 203.91 1.0000 0.0000 1.06383E-02 0.7000 0 1
2936 B 30.54500 109.00 203.88 1.0000 0.0000 9.17431E-03 0.7000 0 1
2937 B 30.55200 108.00 203.85 1.0000 0.0000 9.25926E-03 0.7002 0 1
2938 B 30.55900 96.000 203.82 1.0000 0.0000 1.04167E-02 0.7000 0 1
2939 B 30.56600 88.000 203.79 1.0000 0.0000 1.13636E-02 0.7000 0 1
2940 B 30.57300 96.000 203.75 1.0000 0.0000 1.04167E-02 0.7000 0 1
2941 B 30.58000 89.000 203.72 1.0000 0.0000 1.12360E-02 0.7000 0 1
2942 B 30.58700 102.00 203.69 1.0000 0.0000 9.80392E-03 0.7002 0 1
2943 B 30.59400 112.00 203.66 1.0000 0.0000 8.92857E-03 0.7000 0 1
2944 B 30.60100 89.000 203.63 1.0000 0.0000 1.12360E-02 0.7000 0 1
2945 B 30.60800 103.00 203.60 1.0000 0.0000 9.70874E-03 0.7000 0 1
2946 B 30.61500 88.000 203.57 1.0000 0.0000 1.13636E-02 0.7000 0 1
2947 B 30.62200 99.000 203.54 1.0000 0.0000 1.01010E-02 0.7002 0 1
2948 B 30.62900 101.00 203.51 1.0000 0.0000 9.90099E-03 0.7000 0 1
2949 B 30.63600 99.000 203.48 1.0000 0.0000 1.01010E-02 0.7000 0 1
2950 B 30.64300 93.000 203.44 1.0000 0.0000 1.07527E-02 0.7000 0 1
2951 B 30.65000 105.00 203.41 1.0000 0.0000 9.52381E-03 0.7000 0 1
2952 B 30.65700 108.00 203.38 1.0000 0.0000 9.25926E-03 0.7002 0 1
2953 B 30.66400 116.00 203.35 1.0000 0.0000 8.62069E-03 0.7000 0 1
2954 B 30.67100 126.00 203.32 1.0000 0.0000 7.93651E-03 0.7000 0 1
2955 B 30.67800 112.00 203.29 1.0000 0.0000 8.92857E-03 0.7000 0 1
2956 B 30.68500 93.000 203.26 1.0000 0.0000 1.07527E-02 0.7000 0 1
2957 B 30.69200 108.00 203.23 1.0000 0.0000 9.25926E-03 0.7002 0 1
2958 B 30.69900 112.00 203.20 1.0000 0.0000 8.92857E-03 0.7000 0 1
2959 B 30.70600 104.00 203.17 1.0000 0.0000 9.61538E-03 0.7000 0 1
2960 B 30.71300 106.00 203.14 1.0000 0.0000 9.43396E-03 0.7000 0 1
2961 B 30.72000 98.000 203.10 1.0000 0.0000 1.02041E-02 0.7000 0 1
2962 B 30.72700 83.000 203.07 1.0000 0.0000 1.20482E-02 0.7002 0 1
2963 B 30.73400 101.00 203.04 1.0000 0.0000 9.90099E-03 0.7000 0 1
2964 B 30.74100 104.00 203.01 1.0000 0.0000 9.61538E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 54
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
2965 B 30.74800 91.000 202.98 1.0000 0.0000 1.09890E-02 0.7000 0 1
2966 B 30.75500 87.000 202.95 1.0000 0.0000 1.14943E-02 0.7000 0 1
2967 B 30.76200 93.000 202.92 1.0000 0.0000 1.07527E-02 0.7002 0 1
2968 B 30.76900 96.000 202.89 1.0000 0.0000 1.04167E-02 0.7000 0 1
2969 B 30.77600 102.00 202.86 1.0000 0.0000 9.80392E-03 0.7000 0 1
2970 B 30.78300 98.000 202.83 1.0000 0.0000 1.02041E-02 0.7000 0 1
2971 B 30.79000 88.000 202.79 1.0000 0.0000 1.13636E-02 0.7000 0 1
2972 B 30.79700 82.000 202.76 1.0000 0.0000 1.21951E-02 0.7002 0 1
2973 B 30.80400 102.00 202.73 1.0000 0.0000 9.80392E-03 0.7000 0 1
2974 B 30.81100 90.000 202.70 1.0000 0.0000 1.11111E-02 0.7000 0 1
2975 B 30.81800 96.000 202.67 1.0000 0.0000 1.04167E-02 0.7000 0 1
2976 B 30.82500 93.000 202.64 1.0000 0.0000 1.07527E-02 0.7000 0 1
2977 B 30.83200 107.00 202.61 1.0000 0.0000 9.34579E-03 0.7002 0 1
2978 B 30.83900 111.00 202.58 1.0000 0.0000 9.00901E-03 0.7000 0 1
2979 B 30.84600 94.000 202.55 1.0000 0.0000 1.06383E-02 0.7000 0 1
2980 B 30.85300 92.000 202.52 1.0000 0.0000 1.08696E-02 0.7000 0 1
2981 B 30.86000 95.000 202.49 1.0000 0.0000 1.05263E-02 0.7000 0 1
2982 B 30.86700 104.00 202.45 1.0000 0.0000 9.61538E-03 0.7002 0 1
2983 B 30.87400 103.00 202.42 1.0000 0.0000 9.70874E-03 0.7000 0 1
2984 B 30.88100 100.00 202.39 1.0000 0.0000 1.00000E-02 0.7000 0 1
2985 B 30.88800 100.00 202.36 1.0000 0.0000 1.00000E-02 0.7000 0 1
2986 B 30.89500 95.000 202.33 1.0000 0.0000 1.05263E-02 0.7000 0 1
2987 B 30.90200 91.000 202.30 1.0000 0.0000 1.09890E-02 0.7002 0 1
2988 B 30.90900 96.000 202.27 1.0000 0.0000 1.04167E-02 0.7000 0 1
2989 B 30.91600 101.00 202.24 1.0000 0.0000 9.90099E-03 0.7000 0 1
2990 B 30.92300 89.000 202.21 1.0000 0.0000 1.12360E-02 0.7000 0 1
2991 B 30.93000 92.000 202.18 1.0000 0.0000 1.08696E-02 0.7000 0 1
2992 B 30.93700 97.000 202.15 1.0000 0.0000 1.03093E-02 0.7002 0 1
2993 B 30.94400 95.000 202.11 1.0000 0.0000 1.05263E-02 0.7000 0 1
2994 B 30.95100 99.000 202.08 1.0000 0.0000 1.01010E-02 0.7000 0 1
2995 B 30.95800 98.000 202.05 1.0000 0.0000 1.02041E-02 0.7000 0 1
2996 B 30.96500 96.000 202.02 1.0000 0.0000 1.04167E-02 0.7000 0 1
2997 B 30.97200 92.000 201.99 1.0000 0.0000 1.08696E-02 0.7002 0 1
2998 B 30.97900 90.000 201.96 1.0000 0.0000 1.11111E-02 0.7000 0 1
2999 B 30.98600 86.000 201.93 1.0000 0.0000 1.16279E-02 0.7000 0 1
3000 B 30.99300 100.00 201.90 1.0000 0.0000 1.00000E-02 0.7000 0 1
3001 B 31.00000 111.00 201.87 1.0000 0.0000 9.00901E-03 0.7000 0 1
3002 B 31.00700 104.00 201.84 1.0000 0.0000 9.61538E-03 0.7002 0 1
3003 B 31.01400 87.000 201.81 1.0000 0.0000 1.14943E-02 0.7000 0 1
3004 B 31.02100 101.00 201.78 1.0000 0.0000 9.90099E-03 0.7000 0 1
3005 B 31.02800 88.000 201.74 1.0000 0.0000 1.13636E-02 0.7000 0 1
3006 B 31.03500 112.00 201.71 1.0000 0.0000 8.92857E-03 0.7000 0 1
3007 B 31.04200 105.00 201.68 1.0000 0.0000 9.52381E-03 0.7002 0 1
3008 B 31.04900 97.000 201.65 1.0000 0.0000 1.03093E-02 0.7000 0 1
3009 B 31.05600 93.000 201.62 1.0000 0.0000 1.07527E-02 0.7000 0 1
3010 B 31.06300 103.00 201.59 1.0000 0.0000 9.70874E-03 0.7000 0 1
3011 B 31.07000 105.00 201.56 1.0000 0.0000 9.52381E-03 0.7000 0 1
3012 B 31.07700 108.00 201.53 1.0000 0.0000 9.25926E-03 0.7002 0 1
3013 B 31.08400 102.00 201.50 1.0000 0.0000 9.80392E-03 0.7000 0 1
3014 B 31.09100 103.00 201.47 1.0000 0.0000 9.70874E-03 0.7000 0 1
3015 B 31.09800 94.000 201.44 1.0000 0.0000 1.06383E-02 0.7000 0 1
3016 B 31.10500 87.000 201.41 1.0000 0.0000 1.14943E-02 0.7000 0 1
3017 B 31.11200 92.000 201.37 1.0000 0.0000 1.08696E-02 0.7002 0 1
3018 B 31.11900 97.000 201.34 1.0000 0.0000 1.03093E-02 0.7000 0 1
3019 B 31.12600 102.00 201.31 1.0000 0.0000 9.80392E-03 0.7000 0 1
3020 B 31.13300 108.00 201.28 1.0000 0.0000 9.25926E-03 0.7000 0 1
3021 B 31.14000 91.000 201.25 1.0000 0.0000 1.09890E-02 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 55
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3022 B 31.14700 110.00 201.22 1.0000 0.0000 9.09091E-03 0.7002 0 1
3023 B 31.15400 93.000 201.19 1.0000 0.0000 1.07527E-02 0.7000 0 1
3024 B 31.16100 105.00 201.16 1.0000 0.0000 9.52381E-03 0.7000 0 1
3025 B 31.16800 98.000 201.13 1.0000 0.0000 1.02041E-02 0.7000 0 1
3026 B 31.17500 100.00 201.10 1.0000 0.0000 1.00000E-02 0.7000 0 1
3027 B 31.18200 103.00 201.07 1.0000 0.0000 9.70874E-03 0.7002 0 1
3028 B 31.18900 111.00 201.04 1.0000 0.0000 9.00901E-03 0.7000 0 1
3029 B 31.19600 109.00 201.01 1.0000 0.0000 9.17431E-03 0.7000 0 1
3030 B 31.20300 104.00 200.97 1.0000 0.0000 9.61538E-03 0.7000 0 1
3031 B 31.21000 99.000 200.94 1.0000 0.0000 1.01010E-02 0.7000 0 1
3032 B 31.21700 91.000 200.91 1.0000 0.0000 1.09890E-02 0.7002 0 1
3033 B 31.22400 87.000 200.88 1.0000 0.0000 1.14943E-02 0.7000 0 1
3034 B 31.23100 103.00 200.85 1.0000 0.0000 9.70874E-03 0.7000 0 1
3035 B 31.23800 93.000 200.82 1.0000 0.0000 1.07527E-02 0.7000 0 1
3036 B 31.24500 92.000 200.79 1.0000 0.0000 1.08696E-02 0.7000 0 1
3037 B 31.25200 103.00 200.76 1.0000 0.0000 9.70874E-03 0.7002 0 1
3038 B 31.25900 94.000 200.73 1.0000 0.0000 1.06383E-02 0.7000 0 1
3039 B 31.26600 97.000 200.70 1.0000 0.0000 1.03093E-02 0.7000 0 1
3040 B 31.27300 106.00 200.67 1.0000 0.0000 9.43396E-03 0.7000 0 1
3041 B 31.28000 84.000 200.64 1.0000 0.0000 1.19048E-02 0.7000 0 1
3042 B 31.28700 92.000 200.61 1.0000 0.0000 1.08696E-02 0.7002 0 1
3043 B 31.29400 100.00 200.58 1.0000 0.0000 1.00000E-02 0.7000 0 1
3044 B 31.30100 94.000 200.54 1.0000 0.0000 1.06383E-02 0.7000 0 1
3045 B 31.30800 94.000 200.51 1.0000 0.0000 1.06383E-02 0.7000 0 1
3046 B 31.31500 80.000 200.48 1.0000 0.0000 1.25000E-02 0.7000 0 1
3047 B 31.32200 96.000 200.45 1.0000 0.0000 1.04167E-02 0.7002 0 1
3048 B 31.32900 98.000 200.42 1.0000 0.0000 1.02041E-02 0.7000 0 1
3049 B 31.33600 92.000 200.39 1.0000 0.0000 1.08696E-02 0.7000 0 1
3050 B 31.34300 104.00 200.36 1.0000 0.0000 9.61538E-03 0.7000 0 1
3051 B 31.35000 108.00 200.33 1.0000 0.0000 9.25926E-03 0.7000 0 1
3052 B 31.35700 101.00 200.30 1.0000 0.0000 9.90099E-03 0.7002 0 1
3053 B 31.36400 93.000 200.27 1.0000 0.0000 1.07527E-02 0.7000 0 1
3054 B 31.37100 105.00 200.24 1.0000 0.0000 9.52381E-03 0.7000 0 1
3055 B 31.37800 107.00 200.21 1.0000 0.0000 9.34579E-03 0.7000 0 1
3056 B 31.38500 115.00 200.18 1.0000 0.0000 8.69565E-03 0.7000 0 1
3057 B 31.39200 108.00 200.15 1.0000 0.0000 9.25926E-03 0.7002 0 1
3058 B 31.39900 94.000 200.12 1.0000 0.0000 1.06383E-02 0.7000 0 1
3059 B 31.40600 93.000 200.08 1.0000 0.0000 1.07527E-02 0.7000 0 1
3060 B 31.41300 92.000 200.05 1.0000 0.0000 1.08696E-02 0.7000 0 1
3061 B 31.42000 88.000 200.02 1.0000 0.0000 1.13636E-02 0.7000 0 1
3062 B 31.42700 103.00 199.99 1.0000 0.0000 9.70874E-03 0.7002 0 1
3063 B 31.43400 110.00 199.96 1.0000 0.0000 9.09091E-03 0.7000 0 1
3064 B 31.44100 91.000 199.93 1.0000 0.0000 1.09890E-02 0.7000 0 1
3065 B 31.44800 89.000 199.90 1.0000 0.0000 1.12360E-02 0.7000 0 1
3066 B 31.45500 110.00 199.87 1.0000 0.0000 9.09091E-03 0.7000 0 1
3067 B 31.46200 92.000 199.84 1.0000 0.0000 1.08696E-02 0.7002 0 1
3068 B 31.46900 123.00 199.81 1.0000 0.0000 8.13008E-03 0.7000 0 1
3069 B 31.47600 85.000 199.78 1.0000 0.0000 1.17647E-02 0.7000 0 1
3070 B 31.48300 92.000 199.75 1.0000 0.0000 1.08696E-02 0.7000 0 1
3071 B 31.49000 100.00 199.72 1.0000 0.0000 1.00000E-02 0.7000 0 1
3072 B 31.49700 100.00 199.69 1.0000 0.0000 1.00000E-02 0.7002 0 1
3073 B 31.50400 89.000 199.66 1.0000 0.0000 1.12360E-02 0.7000 0 1
3074 B 31.51100 88.000 199.62 1.0000 0.0000 1.13636E-02 0.7000 0 1
3075 B 31.51800 100.00 199.59 1.0000 0.0000 1.00000E-02 0.7000 0 1
3076 B 31.52500 104.00 199.56 1.0000 0.0000 9.61538E-03 0.7000 0 1
3077 B 31.53200 99.000 199.53 1.0000 0.0000 1.01010E-02 0.7002 0 1
3078 B 31.53900 90.000 199.50 1.0000 0.0000 1.11111E-02 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 56
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3079 B 31.54600 90.000 199.47 1.0000 0.0000 1.11111E-02 0.7000 0 1
3080 B 31.55300 96.000 199.44 1.0000 0.0000 1.04167E-02 0.7000 0 1
3081 B 31.56000 90.000 199.41 1.0000 0.0000 1.11111E-02 0.7000 0 1
3082 B 31.56700 103.00 199.38 1.0000 0.0000 9.70874E-03 0.7002 0 1
3083 B 31.57400 89.000 199.35 1.0000 0.0000 1.12360E-02 0.7000 0 1
3084 B 31.58100 89.000 199.32 1.0000 0.0000 1.12360E-02 0.7000 0 1
3085 B 31.58800 101.00 199.29 1.0000 0.0000 9.90099E-03 0.7000 0 1
3086 B 31.59500 94.000 199.26 1.0000 0.0000 1.06383E-02 0.7000 0 1
3087 B 31.60200 97.000 199.23 1.0000 0.0000 1.03093E-02 0.7002 0 1
3088 B 31.60900 101.00 199.20 1.0000 0.0000 9.90099E-03 0.7000 0 1
3089 B 31.61600 97.000 199.17 1.0000 0.0000 1.03093E-02 0.7000 0 1
3090 B 31.62300 103.00 199.14 1.0000 0.0000 9.70874E-03 0.7000 0 1
3091 B 31.63000 91.000 199.10 1.0000 0.0000 1.09890E-02 0.7000 0 1
3092 B 31.63700 86.000 199.07 1.0000 0.0000 1.16279E-02 0.7002 0 1
3093 B 31.64400 90.000 199.04 1.0000 0.0000 1.11111E-02 0.7000 0 1
3094 B 31.65100 93.000 199.01 1.0000 0.0000 1.07527E-02 0.7000 0 1
3095 B 31.65800 108.00 198.98 1.0000 0.0000 9.25926E-03 0.7000 0 1
3096 B 31.66500 86.000 198.95 1.0000 0.0000 1.16279E-02 0.7000 0 1
3097 B 31.67200 96.000 198.92 1.0000 0.0000 1.04167E-02 0.7002 0 1
3098 B 31.67900 100.00 198.89 1.0000 0.0000 1.00000E-02 0.7000 0 1
3099 B 31.68600 100.00 198.86 1.0000 0.0000 1.00000E-02 0.7000 0 1
3100 B 31.69300 101.00 198.83 1.0000 0.0000 9.90099E-03 0.7000 0 1
3101 B 31.70000 102.00 198.80 1.0000 0.0000 9.80392E-03 0.7000 0 1
3102 B 31.70700 113.00 198.77 1.0000 0.0000 8.84956E-03 0.7002 0 1
3103 B 31.71400 111.00 198.74 1.0000 0.0000 9.00901E-03 0.7000 0 1
3104 B 31.72100 110.00 198.71 1.0000 0.0000 9.09091E-03 0.7000 0 1
3105 B 31.72800 110.00 198.68 1.0000 0.0000 9.09091E-03 0.7000 0 1
3106 B 31.73500 111.00 198.65 1.0000 0.0000 9.00901E-03 0.7000 0 1
3107 B 31.74200 101.00 198.62 1.0000 0.0000 9.90099E-03 0.7002 0 1
3108 B 31.74900 101.00 198.59 1.0000 0.0000 9.90099E-03 0.7000 0 1
3109 B 31.75600 108.00 198.56 1.0000 0.0000 9.25926E-03 0.7000 0 1
3110 B 31.76300 107.00 198.52 1.0000 0.0000 9.34579E-03 0.7000 0 1
3111 B 31.77000 102.00 198.49 1.0000 0.0000 9.80392E-03 0.7000 0 1
3112 B 31.77700 92.000 198.46 1.0000 0.0000 1.08696E-02 0.7002 0 1
3113 B 31.78400 100.00 198.43 1.0000 0.0000 1.00000E-02 0.7000 0 1
3114 B 31.79100 105.00 198.40 1.0000 0.0000 9.52381E-03 0.7000 0 1
3115 B 31.79800 112.00 198.37 1.0000 0.0000 8.92857E-03 0.7000 0 1
3116 B 31.80500 103.00 198.34 1.0000 0.0000 9.70874E-03 0.7000 0 1
3117 B 31.81200 89.000 198.31 1.0000 0.0000 1.12360E-02 0.7002 0 1
3118 B 31.81900 109.00 198.28 1.0000 0.0000 9.17431E-03 0.7000 0 1
3119 B 31.82600 100.00 198.25 1.0000 0.0000 1.00000E-02 0.7000 0 1
3120 B 31.83300 98.000 198.22 1.0000 0.0000 1.02041E-02 0.7000 0 1
3121 B 31.84000 104.00 198.19 1.0000 0.0000 9.61538E-03 0.7000 0 1
3122 B 31.84700 105.00 198.16 1.0000 0.0000 9.52381E-03 0.7002 0 1
3123 B 31.85400 98.000 198.13 1.0000 0.0000 1.02041E-02 0.7000 0 1
3124 B 31.86100 94.000 198.10 1.0000 0.0000 1.06383E-02 0.7000 0 1
3125 B 31.86800 88.000 198.07 1.0000 0.0000 1.13636E-02 0.7000 0 1
3126 B 31.87500 94.000 198.04 1.0000 0.0000 1.06383E-02 0.7000 0 1
3127 B 31.88200 98.000 198.01 1.0000 0.0000 1.02041E-02 0.7002 0 1
3128 B 31.88900 94.000 197.98 1.0000 0.0000 1.06383E-02 0.7000 0 1
3129 B 31.89600 105.00 197.95 1.0000 0.0000 9.52381E-03 0.7000 0 1
3130 B 31.90300 95.000 197.92 1.0000 0.0000 1.05263E-02 0.7000 0 1
3131 B 31.91000 113.00 197.88 1.0000 0.0000 8.84956E-03 0.7000 0 1
3132 B 31.91700 94.000 197.85 1.0000 0.0000 1.06383E-02 0.7002 0 1
3133 B 31.92400 109.00 197.82 1.0000 0.0000 9.17431E-03 0.7000 0 1
3134 B 31.93100 116.00 197.79 1.0000 0.0000 8.62069E-03 0.7000 0 1
3135 B 31.93800 109.00 197.76 1.0000 0.0000 9.17431E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 57
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3136 B 31.94500 115.00 197.73 1.0000 0.0000 8.69565E-03 0.7000 0 1
3137 B 31.95200 110.00 197.70 1.0000 0.0000 9.09091E-03 0.7002 0 1
3138 B 31.95900 120.00 197.67 1.0000 0.0000 8.33333E-03 0.7000 0 1
3139 B 31.96600 113.00 197.64 1.0000 0.0000 8.84956E-03 0.7000 0 1
3140 B 31.97300 111.00 197.61 1.0000 0.0000 9.00901E-03 0.7000 0 1
3141 B 31.98000 117.00 197.58 1.0000 0.0000 8.54701E-03 0.7000 0 1
3142 B 31.98700 107.00 197.55 1.0000 0.0000 9.34579E-03 0.7002 0 1
3143 B 31.99400 107.00 197.52 1.0000 0.0000 9.34579E-03 0.7000 0 1
3144 B 32.00100 109.00 197.49 1.0000 0.0000 9.17431E-03 0.7000 0 1
3145 B 32.00800 98.000 197.46 1.0000 0.0000 1.02041E-02 0.7000 0 1
3146 B 32.01500 106.00 197.43 1.0000 0.0000 9.43396E-03 0.7000 0 1
3147 B 32.02200 120.00 197.40 1.0000 0.0000 8.33333E-03 0.7002 0 1
3148 B 32.02900 108.00 197.37 1.0000 0.0000 9.25926E-03 0.7000 0 1
3149 B 32.03600 109.00 197.34 1.0000 0.0000 9.17431E-03 0.7000 0 1
3150 B 32.04300 110.00 197.31 1.0000 0.0000 9.09091E-03 0.7000 0 1
3151 B 32.05000 118.00 197.28 1.0000 0.0000 8.47458E-03 0.7000 0 1
3152 B 32.05700 122.00 197.25 1.0000 0.0000 8.19672E-03 0.7002 0 1
3153 B 32.06400 116.00 197.22 1.0000 0.0000 8.62069E-03 0.7000 0 1
3154 B 32.07100 109.00 197.19 1.0000 0.0000 9.17431E-03 0.7000 0 1
3155 B 32.07800 106.00 197.16 1.0000 0.0000 9.43396E-03 0.7000 0 1
3156 B 32.08500 120.00 197.12 1.0000 0.0000 8.33333E-03 0.7000 0 1
3157 B 32.09200 112.00 197.09 1.0000 0.0000 8.92857E-03 0.7002 0 1
3158 B 32.09900 126.00 197.06 1.0000 0.0000 7.93651E-03 0.7000 0 1
3159 B 32.10600 95.000 197.03 1.0000 0.0000 1.05263E-02 0.7000 0 1
3160 B 32.11300 118.00 197.00 1.0000 0.0000 8.47458E-03 0.7000 0 1
3161 B 32.12000 140.00 196.97 1.0000 0.0000 7.14286E-03 0.7000 0 1
3162 B 32.12700 114.00 196.94 1.0000 0.0000 8.77193E-03 0.7002 0 1
3163 B 32.13400 113.00 196.91 1.0000 0.0000 8.84956E-03 0.7000 0 1
3164 B 32.14100 109.00 196.88 1.0000 0.0000 9.17431E-03 0.7000 0 1
3165 B 32.14800 102.00 196.85 1.0000 0.0000 9.80392E-03 0.7000 0 1
3166 B 32.15500 114.00 196.82 1.0000 0.0000 8.77193E-03 0.7000 0 1
3167 B 32.16200 119.00 196.79 1.0000 0.0000 8.40336E-03 0.7002 0 1
3168 B 32.16900 111.00 196.76 1.0000 0.0000 9.00901E-03 0.7000 0 1
3169 B 32.17600 113.00 196.73 1.0000 0.0000 8.84956E-03 0.7000 0 1
3170 B 32.18300 120.00 196.70 1.0000 0.0000 8.33333E-03 0.7000 0 1
3171 B 32.19000 144.00 196.67 1.0000 0.0000 6.94444E-03 0.7000 0 1
3172 B 32.19700 119.00 196.64 1.0000 0.0000 8.40336E-03 0.7002 0 1
3173 B 32.20400 134.00 196.61 1.0000 0.0000 7.46269E-03 0.7000 0 1
3174 B 32.21100 109.00 196.58 1.0000 0.0000 9.17431E-03 0.7000 0 1
3175 B 32.21800 125.00 196.55 1.0000 0.0000 8.00000E-03 0.7000 0 1
3176 B 32.22500 128.00 196.52 1.0000 0.0000 7.81250E-03 0.7000 0 1
3177 B 32.23200 109.00 196.49 1.0000 0.0000 9.17431E-03 0.7002 0 1
3178 B 32.23900 125.00 196.46 1.0000 0.0000 8.00000E-03 0.7000 0 1
3179 B 32.24600 125.00 196.43 1.0000 0.0000 8.00000E-03 0.7000 0 1
3180 B 32.25300 130.00 196.40 1.0000 0.0000 7.69231E-03 0.7000 0 1
3181 B 32.26000 134.00 196.37 1.0000 0.0000 7.46269E-03 0.7000 0 1
3182 B 32.26700 134.00 196.34 1.0000 0.0000 7.46269E-03 0.7002 0 1
3183 B 32.27400 134.00 196.31 1.0000 0.0000 7.46269E-03 0.7000 0 1
3184 B 32.28100 132.00 196.28 1.0000 0.0000 7.57576E-03 0.7000 0 1
3185 B 32.28800 130.00 196.25 1.0000 0.0000 7.69231E-03 0.7000 0 1
3186 B 32.29500 148.00 196.22 1.0000 0.0000 6.75676E-03 0.7000 0 1
3187 B 32.30200 146.00 196.18 1.0000 0.0000 6.84932E-03 0.7002 0 1
3188 B 32.30901 129.00 196.15 1.0000 0.0000 7.75194E-03 0.7000 0 1
3189 B 32.31600 122.00 196.12 1.0000 0.0000 8.19672E-03 0.7000 0 1
3190 B 32.32300 132.00 196.09 1.0000 0.0000 7.57576E-03 0.7000 0 1
3191 B 32.33000 142.00 196.06 1.0000 0.0000 7.04225E-03 0.7000 0 1
3192 B 32.33700 151.00 196.03 1.0000 0.0000 6.62252E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 58
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3193 B 32.34401 146.00 196.00 1.0000 0.0000 6.84932E-03 0.7000 0 1
3194 B 32.35100 131.00 195.97 1.0000 0.0000 7.63359E-03 0.7000 0 1
3195 B 32.35800 164.00 195.94 1.0000 0.0000 6.09756E-03 0.7000 0 1
3196 B 32.36500 166.00 195.91 1.0000 0.0000 6.02410E-03 0.7000 0 1
3197 B 32.37200 151.00 195.88 1.0000 0.0000 6.62252E-03 0.7002 0 1
3198 B 32.37901 143.00 195.85 1.0000 0.0000 6.99301E-03 0.7000 0 1
3199 B 32.38600 165.00 195.82 1.0000 0.0000 6.06061E-03 0.7000 0 1
3200 B 32.39300 161.00 195.79 1.0000 0.0000 6.21118E-03 0.7000 0 1
3201 B 32.40000 156.00 195.76 1.0000 0.0000 6.41026E-03 0.7000 0 1
3202 B 32.40700 149.00 195.73 1.0000 0.0000 6.71141E-03 0.7002 0 1
3203 B 32.41401 180.00 195.70 1.0000 0.0000 5.55556E-03 0.7000 0 1
3204 B 32.42100 183.00 195.67 1.0000 0.0000 5.46448E-03 0.7000 0 1
3205 B 32.42800 164.00 195.64 1.0000 0.0000 6.09756E-03 0.7000 0 1
3206 B 32.43500 192.00 195.61 1.0000 0.0000 5.20833E-03 0.7000 0 1
3207 B 32.44200 190.00 195.58 1.0000 0.0000 5.26316E-03 0.7002 0 1
3208 B 32.44901 203.00 195.55 1.0000 0.0000 4.92611E-03 0.7000 0 1
3209 B 32.45600 186.00 195.52 1.0000 0.0000 5.37634E-03 0.7000 0 1
3210 B 32.46300 181.00 195.49 1.0000 0.0000 5.52486E-03 0.7000 0 1
3211 B 32.47000 195.00 195.46 1.0000 0.0000 5.12821E-03 0.7000 0 1
3212 B 32.47700 207.00 195.43 1.0000 0.0000 4.83092E-03 0.7002 0 1
3213 B 32.48400 218.00 195.40 1.0000 0.0000 4.58716E-03 0.7000 0 1
3214 B 32.49100 223.00 195.37 1.0000 0.0000 4.48431E-03 0.7000 0 1
3215 B 32.49800 262.00 195.34 1.0000 0.0000 3.81679E-03 0.7000 0 1
3216 B 32.50500 251.00 195.31 1.0000 0.0000 3.98406E-03 0.7000 0 1
3217 B 32.51200 247.00 195.28 1.0000 0.0000 4.04858E-03 0.7002 0 1
3218 B 32.51900 240.00 195.25 1.0000 0.0000 4.16667E-03 0.7000 0 1
3219 B 32.52600 244.00 195.22 1.0000 0.0000 4.09836E-03 0.7000 0 1
3220 B 32.53300 272.00 195.19 1.0000 0.0000 3.67647E-03 0.7000 0 1
3221 B 32.54000 283.00 195.16 1.0000 0.0000 3.53357E-03 0.7000 0 1
3222 B 32.54700 311.00 195.13 1.0000 0.0000 3.21543E-03 0.7002 0 1
3223 B 32.55400 276.00 195.10 1.0000 0.0000 3.62319E-03 0.7000 0 1
3224 B 32.56100 300.00 195.07 1.0000 0.0000 3.33333E-03 0.7000 0 1
3225 B 32.56800 336.00 195.04 1.0000 0.0000 2.97619E-03 0.7000 0 1
3226 B 32.57500 354.00 195.01 1.0000 0.0000 2.82486E-03 0.7000 0 1
3227 B 32.58200 351.00 194.98 1.0000 0.0000 2.84900E-03 0.7002 0 1
3228 B 32.58900 372.00 194.95 1.0000 0.0000 2.68817E-03 0.7000 0 1
3229 B 32.59600 365.00 194.92 1.0000 0.0000 2.73973E-03 0.7000 0 1
3230 B 32.60300 371.00 194.89 1.0000 0.0000 2.69542E-03 0.7000 0 1
3231 B 32.61000 402.00 194.86 1.0000 0.0000 2.48756E-03 0.7000 0 1
3232 B 32.61700 410.00 194.83 1.0000 0.0000 2.43902E-03 0.7002 0 1
3233 B 32.62400 457.00 194.80 1.0000 0.0000 2.18818E-03 0.7000 0 1
3234 B 32.63100 492.00 194.77 1.0000 0.0000 2.03252E-03 0.7000 0 1
3235 B 32.63800 482.00 194.74 1.0000 0.0000 2.07469E-03 0.7000 0 1
3236 B 32.64500 508.00 194.71 1.0000 0.0000 1.96850E-03 0.7000 0 1
3237 B 32.65200 509.00 194.68 1.0000 0.0000 1.96464E-03 0.7002 0 1
3238 B 32.65900 520.00 194.65 1.0000 0.0000 1.92308E-03 0.7000 0 1
3239 B 32.66600 593.00 194.62 1.0000 0.0000 1.68634E-03 0.7000 0 1
3240 B 32.67300 628.00 194.59 1.0000 0.0000 1.59236E-03 0.7000 0 1
3241 B 32.68000 664.00 194.55 1.0000 0.0000 1.50602E-03 0.7000 0 1
3242 B 32.68700 693.00 194.52 1.0000 0.0000 1.44300E-03 0.7002 0 1
3243 B 32.69400 695.00 194.49 1.0000 0.0000 1.43885E-03 0.7000 0 1
3244 B 32.70100 718.00 194.46 1.0000 0.0000 1.39276E-03 0.7000 0 1
3245 B 32.70800 709.00 194.43 1.0000 0.0000 1.41044E-03 0.7000 0 1
3246 B 32.71500 771.00 194.40 1.0000 0.0000 1.29702E-03 0.7000 0 1
3247 B 32.72200 789.00 194.37 1.0000 0.0000 1.26743E-03 0.7002 0 1
3248 B 32.72900 803.00 194.34 1.0000 0.0000 1.24533E-03 0.7000 0 1
3249 B 32.73600 793.00 194.31 1.0000 0.0000 1.26103E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 59
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3250 B 32.74300 826.00 194.28 1.0000 0.0000 1.21065E-03 0.7000 0 1
3251 B 32.75000 834.00 194.25 1.0000 0.0000 1.19904E-03 0.7000 0 1
3252 . 32.75700 866.00 197.05 1.0000 0.0000 1.15473E-03 0.7002 5 1
3253 . 32.76400 903.00 197.28 1.0000 0.0000 1.10742E-03 0.7000 5 1
3254 . 32.77100 874.00 197.56 1.0000 0.0000 1.14416E-03 0.7000 5 1
3255 . 32.77800 830.00 197.89 1.0000 0.0000 1.20482E-03 0.7000 5 1
3256 . 32.78500 829.00 198.27 1.0000 0.0000 1.20627E-03 0.7000 5 1
3257 . 32.79200 883.00 198.73 1.0000 0.0000 1.13250E-03 0.7002 5 1
3258 . 32.79900 879.00 199.29 1.0000 0.0000 1.13766E-03 0.7000 5 1
3259 . 32.80600 866.00 199.97 1.0000 0.0000 1.15473E-03 0.7000 5 1
3260 . 32.81300 905.00 200.86 1.0000 0.0000 1.10497E-03 0.7000 5 1
3261 . 32.82000 905.00 202.11 1.0000 0.0000 1.10497E-03 0.7000 5 1
3262 . 32.82700 932.00 204.01 1.0000 0.0000 1.07296E-03 0.7002 5 1
3263 . 32.83400 911.00 207.19 1.0000 0.0000 1.09769E-03 0.7000 5 1
3264 . 32.84100 889.00 214.11 1.0000 0.0000 1.12486E-03 0.7000 5 2
3265 . 32.84800 876.00 223.81 1.0000 0.0000 1.14155E-03 0.7000 5 2
3266 . 32.85500 874.00 239.92 1.0000 0.0000 1.14416E-03 0.7000 5 2
3267 . 32.86200 932.00 265.15 1.0000 0.0000 1.07296E-03 0.7002 5 2
3268 . 32.86900 857.00 301.74 1.0000 0.0000 1.16686E-03 0.7000 5 2
3269 . 32.87600 878.00 350.18 1.0000 0.0000 1.13895E-03 0.7000 5 2
3270 . 32.88300 874.00 408.13 1.0000 0.0000 1.14416E-03 0.7000 5 2
3271 . 32.89000 839.00 469.32 1.0000 0.0000 1.19190E-03 0.7000 5 2
3272 . 32.89700 842.00 523.85 1.0000 0.0000 1.18765E-03 0.7002 5 2
3273 .1 32.90400 873.00 559.39 1.0000 0.0000 1.14548E-03 0.7000 5 2
3274 . 32.91100 861.00 565.70 1.0000 0.0000 1.16144E-03 0.7000 5 2
3275 . 32.91800 847.00 541.33 1.0000 0.0000 1.18064E-03 0.7000 5 2
3276 . 32.92500 838.00 495.04 1.0000 0.0000 1.19332E-03 0.7000 5 2
3277 . 32.93200 856.00 440.05 1.0000 0.0000 1.16822E-03 0.7002 5 2
3278 . 32.93900 835.00 388.61 1.0000 0.0000 1.19760E-03 0.7000 5 2
3279 . 32.94600 854.00 349.66 1.0000 0.0000 1.17096E-03 0.7000 5 2
3280 . 32.95300 848.00 327.79 1.0000 0.0000 1.17925E-03 0.7000 5 2
3281 . 32.96000 831.00 323.52 1.0000 0.0000 1.20337E-03 0.7000 5 2
3282 . 32.96700 785.00 333.70 1.0000 0.0000 1.27389E-03 0.7002 5 2
3283 . 32.97400 814.00 352.48 1.0000 0.0000 1.22850E-03 0.7000 5 2
3284 . 32.98100 849.00 372.20 1.0000 0.0000 1.17786E-03 0.7000 5 2
3285 .1 32.98800 832.00 384.76 1.0000 0.0000 1.20192E-03 0.7000 5 2
3286 . 32.99500 826.00 383.95 1.0000 0.0000 1.21065E-03 0.7000 5 2
3287 . 33.00200 851.00 368.53 1.0000 0.0000 1.17509E-03 0.7002 5 2
3288 . 33.00900 814.00 342.43 1.0000 0.0000 1.22850E-03 0.7000 5 2
3289 . 33.01600 807.00 311.69 1.0000 0.0000 1.23916E-03 0.7000 5 2
3290 . 33.02300 831.00 281.57 1.0000 0.0000 1.20337E-03 0.7000 5 2
3291 . 33.03000 812.00 255.66 1.0000 0.0000 1.23153E-03 0.7000 5 2
3292 . 33.03700 802.00 235.56 1.0000 0.0000 1.24688E-03 0.7002 5 2
3293 . 33.04400 798.00 221.32 1.0000 0.0000 1.25313E-03 0.7000 5 2
3294 . 33.05100 817.00 211.98 1.0000 0.0000 1.22399E-03 0.7000 5 2
3295 . 33.05800 816.00 206.20 1.0000 0.0000 1.22549E-03 0.7000 5 2
3296 . 33.06500 841.00 200.09 1.0000 0.0000 1.18906E-03 0.7000 6 1
3297 . 33.07200 801.00 198.23 1.0000 0.0000 1.24844E-03 0.7002 6 1
3298 . 33.07900 793.00 197.11 1.0000 0.0000 1.26103E-03 0.7000 6 1
3299 . 33.08600 819.00 196.38 1.0000 0.0000 1.22100E-03 0.7000 6 1
3300 . 33.09300 840.00 195.86 1.0000 0.0000 1.19048E-03 0.7000 6 1
3301 . 33.10000 836.00 195.45 1.0000 0.0000 1.19617E-03 0.7000 6 1
3302 . 33.10700 818.00 195.11 1.0000 0.0000 1.22249E-03 0.7002 6 1
3303 . 33.11400 825.00 194.83 1.0000 0.0000 1.21212E-03 0.7000 6 1
3304 . 33.12100 820.00 194.58 1.0000 0.0000 1.21951E-03 0.7000 6 1
3305 . 33.12800 813.00 194.37 1.0000 0.0000 1.23001E-03 0.7000 6 1
3306 . 33.13500 810.00 194.18 1.0000 0.0000 1.23457E-03 0.7000 6 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 60
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3307 . 33.14200 791.00 194.01 1.0000 0.0000 1.26422E-03 0.7002 6 1
3308 B 33.14900 792.00 192.55 1.0000 0.0000 1.26263E-03 0.7000 0 1
3309 B 33.15600 813.00 192.52 1.0000 0.0000 1.23001E-03 0.7000 0 1
3310 B 33.16300 768.00 192.49 1.0000 0.0000 1.30208E-03 0.7000 0 1
3311 B 33.17000 833.00 192.46 1.0000 0.0000 1.20048E-03 0.7000 0 1
3312 B 33.17700 816.00 192.43 1.0000 0.0000 1.22549E-03 0.7002 0 1
3313 B 33.18401 818.00 192.40 1.0000 0.0000 1.22249E-03 0.7000 0 1
3314 B 33.19100 839.00 192.37 1.0000 0.0000 1.19190E-03 0.7000 0 1
3315 B 33.19800 798.00 192.34 1.0000 0.0000 1.25313E-03 0.7000 0 1
3316 B 33.20500 822.00 192.31 1.0000 0.0000 1.21655E-03 0.7000 0 1
3317 B 33.21200 811.00 192.28 1.0000 0.0000 1.23305E-03 0.7002 0 1
3318 B 33.21901 813.00 192.25 1.0000 0.0000 1.23001E-03 0.7000 0 1
3319 B 33.22600 794.00 192.22 1.0000 0.0000 1.25945E-03 0.7000 0 1
3320 B 33.23300 818.00 192.19 1.0000 0.0000 1.22249E-03 0.7000 0 1
3321 B 33.24000 797.00 192.16 1.0000 0.0000 1.25471E-03 0.7000 0 1
3322 B 33.24700 830.00 192.13 1.0000 0.0000 1.20482E-03 0.7002 0 1
3323 B 33.25401 793.00 192.10 1.0000 0.0000 1.26103E-03 0.7000 0 1
3324 B 33.26100 788.00 192.07 1.0000 0.0000 1.26904E-03 0.7000 0 1
3325 B 33.26800 799.00 192.04 1.0000 0.0000 1.25156E-03 0.7000 0 1
3326 B 33.27500 808.00 192.01 1.0000 0.0000 1.23762E-03 0.7000 0 1
3327 B 33.28200 888.00 191.98 1.0000 0.0000 1.12613E-03 0.7002 0 1
3328 B 33.28901 798.00 191.95 1.0000 0.0000 1.25313E-03 0.7000 0 1
3329 B 33.29600 754.00 191.92 1.0000 0.0000 1.32626E-03 0.7000 0 1
3330 B 33.30300 790.00 191.89 1.0000 0.0000 1.26582E-03 0.7000 0 1
3331 B 33.31000 774.00 191.86 1.0000 0.0000 1.29199E-03 0.7000 0 1
3332 B 33.31700 792.00 191.83 1.0000 0.0000 1.26263E-03 0.7002 0 1
3333 B 33.32401 798.00 191.80 1.0000 0.0000 1.25313E-03 0.7000 0 1
3334 B 33.33100 820.00 191.77 1.0000 0.0000 1.21951E-03 0.7000 0 1
3335 B 33.33800 814.00 191.74 1.0000 0.0000 1.22850E-03 0.7000 0 1
3336 B 33.34500 810.00 191.71 1.0000 0.0000 1.23457E-03 0.7000 0 1
3337 B 33.35200 812.00 191.68 1.0000 0.0000 1.23153E-03 0.7002 0 1
3338 B 33.35900 813.00 191.65 1.0000 0.0000 1.23001E-03 0.7000 0 1
3339 B 33.36600 814.00 191.62 1.0000 0.0000 1.22850E-03 0.7000 0 1
3340 B 33.37300 792.00 191.59 1.0000 0.0000 1.26263E-03 0.7000 0 1
3341 B 33.38000 839.00 191.56 1.0000 0.0000 1.19190E-03 0.7000 0 1
3342 B 33.38700 781.00 191.53 1.0000 0.0000 1.28041E-03 0.7002 0 1
3343 B 33.39400 842.00 191.50 1.0000 0.0000 1.18765E-03 0.7000 0 1
3344 B 33.40100 801.00 191.47 1.0000 0.0000 1.24844E-03 0.7000 0 1
3345 B 33.40800 773.00 191.44 1.0000 0.0000 1.29366E-03 0.7000 0 1
3346 B 33.41500 787.00 191.41 1.0000 0.0000 1.27065E-03 0.7000 0 1
3347 B 33.42200 818.00 191.38 1.0000 0.0000 1.22249E-03 0.7002 0 1
3348 B 33.42900 786.00 191.35 1.0000 0.0000 1.27226E-03 0.7000 0 1
3349 B 33.43600 804.00 191.32 1.0000 0.0000 1.24378E-03 0.7000 0 1
3350 B 33.44300 810.00 191.29 1.0000 0.0000 1.23457E-03 0.7000 0 1
3351 B 33.45000 796.00 191.26 1.0000 0.0000 1.25628E-03 0.7000 0 1
3352 B 33.45700 792.00 191.23 1.0000 0.0000 1.26263E-03 0.7002 0 1
3353 B 33.46400 825.00 191.20 1.0000 0.0000 1.21212E-03 0.7000 0 1
3354 B 33.47100 773.00 191.17 1.0000 0.0000 1.29366E-03 0.7000 0 1
3355 B 33.47800 762.00 191.14 1.0000 0.0000 1.31234E-03 0.7000 0 1
3356 B 33.48500 776.00 191.11 1.0000 0.0000 1.28866E-03 0.7000 0 1
3357 B 33.49200 803.00 191.08 1.0000 0.0000 1.24533E-03 0.7002 0 1
3358 B 33.49900 804.00 191.05 1.0000 0.0000 1.24378E-03 0.7000 0 1
3359 B 33.50600 751.00 191.02 1.0000 0.0000 1.33156E-03 0.7000 0 1
3360 B 33.51300 770.00 190.99 1.0000 0.0000 1.29870E-03 0.7000 0 1
3361 B 33.52000 799.00 190.96 1.0000 0.0000 1.25156E-03 0.7000 0 1
3362 B 33.52700 788.00 190.94 1.0000 0.0000 1.26904E-03 0.7002 0 1
3363 B 33.53400 776.00 190.91 1.0000 0.0000 1.28866E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 61
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3364 . 33.54100 764.00 192.23 1.0000 0.0000 1.30890E-03 0.7000 7 1
3365 . 33.54800 763.00 192.32 1.0000 0.0000 1.31062E-03 0.7000 7 1
3366 . 33.55500 790.00 192.43 1.0000 0.0000 1.26582E-03 0.7000 7 1
3367 . 33.56200 736.00 192.57 1.0000 0.0000 1.35870E-03 0.7002 7 1
3368 . 33.56900 730.00 192.73 1.0000 0.0000 1.36986E-03 0.7000 7 1
3369 . 33.57600 712.00 192.92 1.0000 0.0000 1.40449E-03 0.7000 7 1
3370 . 33.58300 758.00 193.15 1.0000 0.0000 1.31926E-03 0.7000 7 1
3371 . 33.59000 737.00 193.44 1.0000 0.0000 1.35685E-03 0.7000 7 1
3372 . 33.59700 735.00 193.80 1.0000 0.0000 1.36054E-03 0.7002 7 1
3373 . 33.60400 723.00 194.29 1.0000 0.0000 1.38313E-03 0.7000 7 1
3374 . 33.61100 702.00 194.99 1.0000 0.0000 1.42450E-03 0.7000 7 1
3375 . 33.61800 723.00 196.11 1.0000 0.0000 1.38313E-03 0.7000 7 1
3376 . 33.62500 740.00 198.02 1.0000 0.0000 1.35135E-03 0.7000 7 1
3377 . 33.63200 727.00 202.07 1.0000 0.0000 1.37552E-03 0.7002 7 2
3378 . 33.63900 717.00 207.88 1.0000 0.0000 1.39470E-03 0.7000 7 2
3379 . 33.64600 693.00 217.36 1.0000 0.0000 1.44300E-03 0.7000 7 2
3380 . 33.65300 694.00 231.85 1.0000 0.0000 1.44092E-03 0.7000 7 2
3381 . 33.66000 705.00 252.25 1.0000 0.0000 1.41844E-03 0.7000 7 2
3382 . 33.66700 686.00 278.41 1.0000 0.0000 1.45773E-03 0.7002 7 2
3383 . 33.67400 689.00 308.53 1.0000 0.0000 1.45138E-03 0.7000 7 2
3384 . 33.68100 677.00 338.80 1.0000 0.0000 1.47710E-03 0.7000 7 2
3385 . 33.68800 698.00 363.70 1.0000 0.0000 1.43266E-03 0.7000 7 2
3386 .1 33.69500 711.00 377.02 1.0000 0.0000 1.40647E-03 0.7000 7 2
3387 . 33.70200 682.00 374.76 1.0000 0.0000 1.46628E-03 0.7002 7 2
3388 . 33.70900 659.00 357.97 1.0000 0.0000 1.51745E-03 0.7000 7 2
3389 . 33.71600 712.00 332.19 1.0000 0.0000 1.40449E-03 0.7000 7 2
3390 . 33.72300 651.00 304.07 1.0000 0.0000 1.53610E-03 0.7000 7 2
3391 . 33.73000 650.00 279.27 1.0000 0.0000 1.53846E-03 0.7000 7 2
3392 . 33.73700 653.00 261.55 1.0000 0.0000 1.53139E-03 0.7002 7 2
3393 . 33.74400 653.00 252.65 1.0000 0.0000 1.53139E-03 0.7000 7 2
3394 . 33.75100 655.00 252.36 1.0000 0.0000 1.52672E-03 0.7000 7 2
3395 . 33.75800 665.00 258.88 1.0000 0.0000 1.50376E-03 0.7000 7 2
3396 . 33.76500 656.00 269.20 1.0000 0.0000 1.52439E-03 0.7000 7 2
3397 . 33.77200 667.00 279.56 1.0000 0.0000 1.49925E-03 0.7002 7 2
3398 .1 33.77900 661.00 285.97 1.0000 0.0000 1.51286E-03 0.7000 7 2
3399 . 33.78600 619.00 285.46 1.0000 0.0000 1.61551E-03 0.7000 7 2
3400 . 33.79300 613.00 277.56 1.0000 0.0000 1.63132E-03 0.7000 7 2
3401 . 33.80000 617.00 264.35 1.0000 0.0000 1.62075E-03 0.7000 7 2
3402 . 33.80700 622.00 248.87 1.0000 0.0000 1.60772E-03 0.7002 7 2
3403 . 33.81400 612.00 233.77 1.0000 0.0000 1.63399E-03 0.7000 7 2
3404 . 33.82100 577.00 220.82 1.0000 0.0000 1.73310E-03 0.7000 7 2
3405 . 33.82800 622.00 210.79 1.0000 0.0000 1.60772E-03 0.7000 7 2
3406 . 33.83500 605.00 203.70 1.0000 0.0000 1.65289E-03 0.7000 7 2
3407 . 33.84200 595.00 199.06 1.0000 0.0000 1.68067E-03 0.7002 7 2
3408 . 33.84900 581.00 194.75 1.0000 0.0000 1.72117E-03 0.7000 8 1
3409 . 33.85600 565.00 193.14 1.0000 0.0000 1.76991E-03 0.7000 8 1
3410 . 33.86300 609.00 192.20 1.0000 0.0000 1.64204E-03 0.7000 8 1
3411 . 33.87000 599.00 191.63 1.0000 0.0000 1.66945E-03 0.7000 8 1
3412 . 33.87700 571.00 191.25 1.0000 0.0000 1.75131E-03 0.7002 8 1
3413 . 33.88400 555.00 190.97 1.0000 0.0000 1.80180E-03 0.7000 8 1
3414 . 33.89100 583.00 190.75 1.0000 0.0000 1.71527E-03 0.7000 8 1
3415 . 33.89800 585.00 190.57 1.0000 0.0000 1.70940E-03 0.7000 8 1
3416 . 33.90500 530.00 190.41 1.0000 0.0000 1.88679E-03 0.7000 8 1
3417 . 33.91200 550.00 190.27 1.0000 0.0000 1.81818E-03 0.7002 8 1
3418 . 33.91900 520.00 190.15 1.0000 0.0000 1.92308E-03 0.7000 8 1
3419 . 33.92600 519.00 190.04 1.0000 0.0000 1.92678E-03 0.7000 8 1
3420 . 33.93300 569.00 189.94 1.0000 0.0000 1.75747E-03 0.7000 8 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 62
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3421 B 33.94000 538.00 189.19 1.0000 0.0000 1.85874E-03 0.7000 0 1
3422 B 33.94700 555.00 189.16 1.0000 0.0000 1.80180E-03 0.7002 0 1
3423 B 33.95400 501.00 189.13 1.0000 0.0000 1.99601E-03 0.7000 0 1
3424 B 33.96100 512.00 189.10 1.0000 0.0000 1.95313E-03 0.7000 0 1
3425 B 33.96800 483.00 189.07 1.0000 0.0000 2.07039E-03 0.7000 0 1
3426 B 33.97500 482.00 189.04 1.0000 0.0000 2.07469E-03 0.7000 0 1
3427 B 33.98200 504.00 189.01 1.0000 0.0000 1.98413E-03 0.7002 0 1
3428 B 33.98900 490.00 188.98 1.0000 0.0000 2.04082E-03 0.7000 0 1
3429 B 33.99600 505.00 188.95 1.0000 0.0000 1.98020E-03 0.7000 0 1
3430 B 34.00300 488.00 188.92 1.0000 0.0000 2.04918E-03 0.7000 0 1
3431 B 34.01000 505.00 188.89 1.0000 0.0000 1.98020E-03 0.7000 0 1
3432 B 34.01700 522.00 188.86 1.0000 0.0000 1.91571E-03 0.7002 0 1
3433 B 34.02400 515.00 188.83 1.0000 0.0000 1.94175E-03 0.7000 0 1
3434 B 34.03100 473.00 188.80 1.0000 0.0000 2.11416E-03 0.7000 0 1
3435 B 34.03800 523.00 188.77 1.0000 0.0000 1.91205E-03 0.7000 0 1
3436 B 34.04500 473.00 188.74 1.0000 0.0000 2.11416E-03 0.7000 0 1
3437 B 34.05200 456.00 188.71 1.0000 0.0000 2.19298E-03 0.7002 0 1
3438 B 34.05901 473.00 188.68 1.0000 0.0000 2.11416E-03 0.7000 0 1
3439 B 34.06600 507.00 188.66 1.0000 0.0000 1.97239E-03 0.7000 0 1
3440 B 34.07300 459.00 188.63 1.0000 0.0000 2.17865E-03 0.7000 0 1
3441 B 34.08000 432.00 188.60 1.0000 0.0000 2.31481E-03 0.7000 0 1
3442 B 34.08700 445.00 188.57 1.0000 0.0000 2.24719E-03 0.7002 0 1
3443 B 34.09401 453.00 188.54 1.0000 0.0000 2.20751E-03 0.7000 0 1
3444 B 34.10100 472.00 188.51 1.0000 0.0000 2.11864E-03 0.7000 0 1
3445 B 34.10800 427.00 188.48 1.0000 0.0000 2.34192E-03 0.7000 0 1
3446 B 34.11500 426.00 188.45 1.0000 0.0000 2.34742E-03 0.7000 0 1
3447 B 34.12200 469.00 188.42 1.0000 0.0000 2.13220E-03 0.7002 0 1
3448 B 34.12901 451.00 188.39 1.0000 0.0000 2.21729E-03 0.7000 0 1
3449 B 34.13600 449.00 188.36 1.0000 0.0000 2.22717E-03 0.7000 0 1
3450 B 34.14300 423.00 188.33 1.0000 0.0000 2.36407E-03 0.7000 0 1
3451 B 34.15000 399.00 188.30 1.0000 0.0000 2.50627E-03 0.7000 0 1
3452 B 34.15700 430.00 188.27 1.0000 0.0000 2.32558E-03 0.7002 0 1
3453 B 34.16401 409.00 188.24 1.0000 0.0000 2.44499E-03 0.7000 0 1
3454 B 34.17100 416.00 188.21 1.0000 0.0000 2.40385E-03 0.7000 0 1
3455 B 34.17800 416.00 188.18 1.0000 0.0000 2.40385E-03 0.7000 0 1
3456 B 34.18500 434.00 188.15 1.0000 0.0000 2.30415E-03 0.7000 0 1
3457 B 34.19200 416.00 188.12 1.0000 0.0000 2.40385E-03 0.7002 0 1
3458 B 34.19901 419.00 188.10 1.0000 0.0000 2.38663E-03 0.7000 0 1
3459 B 34.20600 398.00 188.07 1.0000 0.0000 2.51256E-03 0.7000 0 1
3460 B 34.21300 387.00 188.04 1.0000 0.0000 2.58398E-03 0.7000 0 1
3461 B 34.22000 403.00 188.01 1.0000 0.0000 2.48139E-03 0.7000 0 1
3462 B 34.22700 412.00 187.98 1.0000 0.0000 2.42718E-03 0.7002 0 1
3463 B 34.23400 421.00 187.95 1.0000 0.0000 2.37530E-03 0.7000 0 1
3464 B 34.24100 370.00 187.92 1.0000 0.0000 2.70270E-03 0.7000 0 1
3465 B 34.24800 380.00 187.89 1.0000 0.0000 2.63158E-03 0.7000 0 1
3466 B 34.25500 395.00 187.86 1.0000 0.0000 2.53165E-03 0.7000 0 1
3467 B 34.26200 347.00 187.83 1.0000 0.0000 2.88184E-03 0.7002 0 1
3468 B 34.26900 405.00 187.80 1.0000 0.0000 2.46914E-03 0.7000 0 1
3469 B 34.27600 381.00 187.77 1.0000 0.0000 2.62467E-03 0.7000 0 1
3470 B 34.28300 383.00 187.74 1.0000 0.0000 2.61097E-03 0.7000 0 1
3471 B 34.29000 384.00 187.71 1.0000 0.0000 2.60417E-03 0.7000 0 1
3472 B 34.29700 401.00 187.68 1.0000 0.0000 2.49377E-03 0.7002 0 1
3473 B 34.30400 396.00 187.65 1.0000 0.0000 2.52525E-03 0.7000 0 1
3474 B 34.31100 357.00 187.62 1.0000 0.0000 2.80112E-03 0.7000 0 1
3475 B 34.31800 374.00 187.60 1.0000 0.0000 2.67380E-03 0.7000 0 1
3476 B 34.32500 373.00 187.57 1.0000 0.0000 2.68097E-03 0.7000 0 1
3477 B 34.33200 364.00 187.54 1.0000 0.0000 2.74725E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 63
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3478 B 34.33900 348.00 187.51 1.0000 0.0000 2.87356E-03 0.7000 0 1
3479 B 34.34600 329.00 187.48 1.0000 0.0000 3.03951E-03 0.7000 0 1
3480 B 34.35300 364.00 187.45 1.0000 0.0000 2.74725E-03 0.7000 0 1
3481 B 34.36000 318.00 187.42 1.0000 0.0000 3.14465E-03 0.7000 0 1
3482 B 34.36700 348.00 187.39 1.0000 0.0000 2.87356E-03 0.7002 0 1
3483 B 34.37400 342.00 187.36 1.0000 0.0000 2.92398E-03 0.7000 0 1
3484 B 34.38100 351.00 187.33 1.0000 0.0000 2.84900E-03 0.7000 0 1
3485 B 34.38800 332.00 187.30 1.0000 0.0000 3.01205E-03 0.7000 0 1
3486 B 34.39500 325.00 187.27 1.0000 0.0000 3.07692E-03 0.7000 0 1
3487 B 34.40200 328.00 187.24 1.0000 0.0000 3.04878E-03 0.7002 0 1
3488 B 34.40900 332.00 187.21 1.0000 0.0000 3.01205E-03 0.7000 0 1
3489 B 34.41600 324.00 187.18 1.0000 0.0000 3.08642E-03 0.7000 0 1
3490 B 34.42300 357.00 187.15 1.0000 0.0000 2.80112E-03 0.7000 0 1
3491 B 34.43000 332.00 187.13 1.0000 0.0000 3.01205E-03 0.7000 0 1
3492 B 34.43700 312.00 187.10 1.0000 0.0000 3.20513E-03 0.7002 0 1
3493 B 34.44400 317.00 187.07 1.0000 0.0000 3.15457E-03 0.7000 0 1
3494 B 34.45100 313.00 187.04 1.0000 0.0000 3.19489E-03 0.7000 0 1
3495 B 34.45800 317.00 187.01 1.0000 0.0000 3.15457E-03 0.7000 0 1
3496 B 34.46500 312.00 186.98 1.0000 0.0000 3.20513E-03 0.7000 0 1
3497 B 34.47200 305.00 186.95 1.0000 0.0000 3.27869E-03 0.7002 0 1
3498 B 34.47900 304.00 186.92 1.0000 0.0000 3.28947E-03 0.7000 0 1
3499 B 34.48600 313.00 186.89 1.0000 0.0000 3.19489E-03 0.7000 0 1
3500 B 34.49300 305.00 186.86 1.0000 0.0000 3.27869E-03 0.7000 0 1
3501 B 34.50000 305.00 186.83 1.0000 0.0000 3.27869E-03 0.7000 0 1
3502 B 34.50700 321.00 186.80 1.0000 0.0000 3.11526E-03 0.7002 0 1
3503 B 34.51400 306.00 186.77 1.0000 0.0000 3.26797E-03 0.7000 0 1
3504 B 34.52100 318.00 186.74 1.0000 0.0000 3.14465E-03 0.7000 0 1
3505 B 34.52800 316.00 186.72 1.0000 0.0000 3.16456E-03 0.7000 0 1
3506 B 34.53500 287.00 186.69 1.0000 0.0000 3.48432E-03 0.7000 0 1
3507 B 34.54200 290.00 186.66 1.0000 0.0000 3.44828E-03 0.7002 0 1
3508 B 34.54900 310.00 186.63 1.0000 0.0000 3.22581E-03 0.7000 0 1
3509 B 34.55600 313.00 186.60 1.0000 0.0000 3.19489E-03 0.7000 0 1
3510 B 34.56300 287.00 186.57 1.0000 0.0000 3.48432E-03 0.7000 0 1
3511 B 34.57000 335.00 186.54 1.0000 0.0000 2.98507E-03 0.7000 0 1
3512 B 34.57700 338.00 186.51 1.0000 0.0000 2.95858E-03 0.7002 0 1
3513 B 34.58400 307.00 186.48 1.0000 0.0000 3.25733E-03 0.7000 0 1
3514 B 34.59100 317.00 186.45 1.0000 0.0000 3.15457E-03 0.7000 0 1
3515 B 34.59800 269.00 186.42 1.0000 0.0000 3.71747E-03 0.7000 0 1
3516 B 34.60500 295.00 186.39 1.0000 0.0000 3.38983E-03 0.7000 0 1
3517 B 34.61200 316.00 186.36 1.0000 0.0000 3.16456E-03 0.7002 0 1
3518 B 34.61900 302.00 186.33 1.0000 0.0000 3.31126E-03 0.7000 0 1
3519 B 34.62600 288.00 186.31 1.0000 0.0000 3.47222E-03 0.7000 0 1
3520 B 34.63300 287.00 186.28 1.0000 0.0000 3.48432E-03 0.7000 0 1
3521 B 34.64000 282.00 186.25 1.0000 0.0000 3.54610E-03 0.7000 0 1
3522 B 34.64700 253.00 186.22 1.0000 0.0000 3.95257E-03 0.7002 0 1
3523 B 34.65400 299.00 186.19 1.0000 0.0000 3.34448E-03 0.7000 0 1
3524 B 34.66100 279.00 186.16 1.0000 0.0000 3.58423E-03 0.7000 0 1
3525 B 34.66800 265.00 186.13 1.0000 0.0000 3.77358E-03 0.7000 0 1
3526 B 34.67500 304.00 186.10 1.0000 0.0000 3.28947E-03 0.7000 0 1
3527 B 34.68200 253.00 186.07 1.0000 0.0000 3.95257E-03 0.7002 0 1
3528 B 34.68900 283.00 186.04 1.0000 0.0000 3.53357E-03 0.7000 0 1
3529 B 34.69600 282.00 186.01 1.0000 0.0000 3.54610E-03 0.7000 0 1
3530 B 34.70300 263.00 185.98 1.0000 0.0000 3.80228E-03 0.7000 0 1
3531 B 34.71000 251.00 185.95 1.0000 0.0000 3.98406E-03 0.7000 0 1
3532 B 34.71700 277.00 185.93 1.0000 0.0000 3.61011E-03 0.7002 0 1
3533 B 34.72400 260.00 185.90 1.0000 0.0000 3.84615E-03 0.7000 0 1
3534 B 34.73100 246.00 185.87 1.0000 0.0000 4.06504E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 64
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3535 B 34.73800 261.00 185.84 1.0000 0.0000 3.83142E-03 0.7000 0 1
3536 B 34.74500 285.00 185.81 1.0000 0.0000 3.50877E-03 0.7000 0 1
3537 B 34.75200 269.00 185.78 1.0000 0.0000 3.71747E-03 0.7002 0 1
3538 B 34.75900 269.00 185.75 1.0000 0.0000 3.71747E-03 0.7000 0 1
3539 B 34.76600 275.00 185.72 1.0000 0.0000 3.63636E-03 0.7000 0 1
3540 B 34.77300 259.00 185.69 1.0000 0.0000 3.86100E-03 0.7000 0 1
3541 B 34.78000 263.00 185.66 1.0000 0.0000 3.80228E-03 0.7000 0 1
3542 B 34.78700 267.00 185.63 1.0000 0.0000 3.74532E-03 0.7002 0 1
3543 B 34.79400 256.00 185.60 1.0000 0.0000 3.90625E-03 0.7000 0 1
3544 B 34.80100 261.00 185.58 1.0000 0.0000 3.83142E-03 0.7000 0 1
3545 B 34.80800 272.00 185.55 1.0000 0.0000 3.67647E-03 0.7000 0 1
3546 B 34.81500 225.00 185.52 1.0000 0.0000 4.44444E-03 0.7000 0 1
3547 B 34.82200 250.00 185.49 1.0000 0.0000 4.00000E-03 0.7002 0 1
3548 B 34.82900 269.00 185.46 1.0000 0.0000 3.71747E-03 0.7000 0 1
3549 B 34.83600 263.00 185.43 1.0000 0.0000 3.80228E-03 0.7000 0 1
3550 B 34.84300 247.00 185.40 1.0000 0.0000 4.04858E-03 0.7000 0 1
3551 B 34.85000 241.00 185.37 1.0000 0.0000 4.14938E-03 0.7000 0 1
3552 B 34.85700 231.00 185.34 1.0000 0.0000 4.32900E-03 0.7002 0 1
3553 B 34.86400 232.00 185.31 1.0000 0.0000 4.31034E-03 0.7000 0 1
3554 B 34.87100 259.00 185.28 1.0000 0.0000 3.86100E-03 0.7000 0 1
3555 B 34.87800 279.00 185.25 1.0000 0.0000 3.58423E-03 0.7000 0 1
3556 B 34.88500 227.00 185.23 1.0000 0.0000 4.40529E-03 0.7000 0 1
3557 B 34.89200 255.00 185.20 1.0000 0.0000 3.92157E-03 0.7002 0 1
3558 B 34.89900 239.00 185.17 1.0000 0.0000 4.18410E-03 0.7000 0 1
3559 B 34.90600 235.00 185.14 1.0000 0.0000 4.25532E-03 0.7000 0 1
3560 B 34.91300 229.00 185.11 1.0000 0.0000 4.36681E-03 0.7000 0 1
3561 B 34.92000 246.00 185.08 1.0000 0.0000 4.06504E-03 0.7000 0 1
3562 B 34.92700 241.00 185.05 1.0000 0.0000 4.14938E-03 0.7002 0 1
3563 B 34.93401 235.00 185.02 1.0000 0.0000 4.25532E-03 0.7000 0 1
3564 B 34.94100 241.00 184.99 1.0000 0.0000 4.14938E-03 0.7000 0 1
3565 B 34.94800 252.00 184.96 1.0000 0.0000 3.96825E-03 0.7000 0 1
3566 B 34.95500 235.00 184.93 1.0000 0.0000 4.25532E-03 0.7000 0 1
3567 B 34.96200 251.00 184.91 1.0000 0.0000 3.98406E-03 0.7002 0 1
3568 B 34.96901 225.00 184.88 1.0000 0.0000 4.44444E-03 0.7000 0 1
3569 B 34.97600 235.00 184.85 1.0000 0.0000 4.25532E-03 0.7000 0 1
3570 B 34.98300 229.00 184.82 1.0000 0.0000 4.36681E-03 0.7000 0 1
3571 B 34.99000 241.00 184.79 1.0000 0.0000 4.14938E-03 0.7000 0 1
3572 B 34.99700 218.00 184.76 1.0000 0.0000 4.58716E-03 0.7002 0 1
3573 B 35.00401 212.00 184.73 1.0000 0.0000 4.71698E-03 0.7000 0 1
3574 B 35.01100 231.00 184.70 1.0000 0.0000 4.32900E-03 0.7000 0 1
3575 B 35.01800 242.00 184.67 1.0000 0.0000 4.13223E-03 0.7000 0 1
3576 B 35.02500 225.00 184.64 1.0000 0.0000 4.44444E-03 0.7000 0 1
3577 B 35.03200 216.00 184.61 1.0000 0.0000 4.62963E-03 0.7002 0 1
3578 B 35.03901 241.00 184.59 1.0000 0.0000 4.14938E-03 0.7000 0 1
3579 B 35.04600 241.00 184.56 1.0000 0.0000 4.14938E-03 0.7000 0 1
3580 B 35.05300 224.00 184.53 1.0000 0.0000 4.46429E-03 0.7000 0 1
3581 B 35.06000 223.00 184.50 1.0000 0.0000 4.48431E-03 0.7000 0 1
3582 B 35.06700 236.00 184.47 1.0000 0.0000 4.23729E-03 0.7002 0 1
3583 B 35.07401 230.00 184.44 1.0000 0.0000 4.34783E-03 0.7000 0 1
3584 B 35.08100 235.00 184.41 1.0000 0.0000 4.25532E-03 0.7000 0 1
3585 B 35.08800 216.00 184.38 1.0000 0.0000 4.62963E-03 0.7000 0 1
3586 B 35.09500 206.00 184.35 1.0000 0.0000 4.85437E-03 0.7000 0 1
3587 B 35.10200 211.00 184.32 1.0000 0.0000 4.73934E-03 0.7002 0 1
3588 B 35.10900 232.00 184.29 1.0000 0.0000 4.31034E-03 0.7000 0 1
3589 B 35.11600 225.00 184.27 1.0000 0.0000 4.44444E-03 0.7000 0 1
3590 B 35.12300 211.00 184.24 1.0000 0.0000 4.73934E-03 0.7000 0 1
3591 B 35.13000 226.00 184.21 1.0000 0.0000 4.42478E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 65
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3592 B 35.13700 237.00 184.18 1.0000 0.0000 4.21941E-03 0.7002 0 1
3593 B 35.14400 206.00 184.15 1.0000 0.0000 4.85437E-03 0.7000 0 1
3594 B 35.15100 222.00 184.12 1.0000 0.0000 4.50450E-03 0.7000 0 1
3595 B 35.15800 241.00 184.09 1.0000 0.0000 4.14938E-03 0.7000 0 1
3596 B 35.16500 232.00 184.06 1.0000 0.0000 4.31034E-03 0.7000 0 1
3597 B 35.17200 223.00 184.03 1.0000 0.0000 4.48431E-03 0.7002 0 1
3598 B 35.17900 202.00 184.00 1.0000 0.0000 4.95049E-03 0.7000 0 1
3599 B 35.18600 217.00 183.98 1.0000 0.0000 4.60829E-03 0.7000 0 1
3600 B 35.19300 200.00 183.95 1.0000 0.0000 5.00000E-03 0.7000 0 1
3601 B 35.20000 208.00 183.92 1.0000 0.0000 4.80769E-03 0.7000 0 1
3602 B 35.20700 232.00 183.89 1.0000 0.0000 4.31034E-03 0.7002 0 1
3603 B 35.21400 203.00 183.86 1.0000 0.0000 4.92611E-03 0.7000 0 1
3604 B 35.22100 231.00 183.83 1.0000 0.0000 4.32900E-03 0.7000 0 1
3605 B 35.22800 231.00 183.80 1.0000 0.0000 4.32900E-03 0.7000 0 1
3606 B 35.23500 220.00 183.77 1.0000 0.0000 4.54545E-03 0.7000 0 1
3607 B 35.24200 222.00 183.74 1.0000 0.0000 4.50450E-03 0.7002 0 1
3608 B 35.24900 216.00 183.71 1.0000 0.0000 4.62963E-03 0.7000 0 1
3609 B 35.25600 210.00 183.69 1.0000 0.0000 4.76190E-03 0.7000 0 1
3610 B 35.26300 211.00 183.66 1.0000 0.0000 4.73934E-03 0.7000 0 1
3611 B 35.27000 217.00 183.63 1.0000 0.0000 4.60829E-03 0.7000 0 1
3612 B 35.27700 225.00 183.60 1.0000 0.0000 4.44444E-03 0.7002 0 1
3613 B 35.28400 223.00 183.57 1.0000 0.0000 4.48431E-03 0.7000 0 1
3614 B 35.29100 206.00 183.54 1.0000 0.0000 4.85437E-03 0.7000 0 1
3615 B 35.29800 215.00 183.51 1.0000 0.0000 4.65116E-03 0.7000 0 1
3616 B 35.30500 221.00 183.48 1.0000 0.0000 4.52489E-03 0.7000 0 1
3617 B 35.31200 203.00 183.45 1.0000 0.0000 4.92611E-03 0.7002 0 1
3618 B 35.31900 220.00 183.43 1.0000 0.0000 4.54545E-03 0.7000 0 1
3619 B 35.32600 239.00 183.40 1.0000 0.0000 4.18410E-03 0.7000 0 1
3620 B 35.33300 213.00 183.37 1.0000 0.0000 4.69484E-03 0.7000 0 1
3621 B 35.34000 204.00 183.34 1.0000 0.0000 4.90196E-03 0.7000 0 1
3622 B 35.34700 232.00 183.31 1.0000 0.0000 4.31034E-03 0.7002 0 1
3623 B 35.35400 212.00 183.28 1.0000 0.0000 4.71698E-03 0.7000 0 1
3624 B 35.36100 219.00 183.25 1.0000 0.0000 4.56621E-03 0.7000 0 1
3625 B 35.36800 219.00 183.22 1.0000 0.0000 4.56621E-03 0.7000 0 1
3626 B 35.37500 203.00 183.19 1.0000 0.0000 4.92611E-03 0.7000 0 1
3627 B 35.38200 198.00 183.16 1.0000 0.0000 5.05051E-03 0.7002 0 1
3628 B 35.38900 204.00 183.14 1.0000 0.0000 4.90196E-03 0.7000 0 1
3629 B 35.39600 206.00 183.11 1.0000 0.0000 4.85437E-03 0.7000 0 1
3630 B 35.40300 204.00 183.08 1.0000 0.0000 4.90196E-03 0.7000 0 1
3631 B 35.41000 188.00 183.05 1.0000 0.0000 5.31915E-03 0.7000 0 1
3632 B 35.41700 202.00 183.02 1.0000 0.0000 4.95049E-03 0.7002 0 1
3633 B 35.42400 215.00 182.99 1.0000 0.0000 4.65116E-03 0.7000 0 1
3634 B 35.43100 219.00 182.96 1.0000 0.0000 4.56621E-03 0.7000 0 1
3635 B 35.43800 205.00 182.93 1.0000 0.0000 4.87805E-03 0.7000 0 1
3636 B 35.44500 193.00 182.90 1.0000 0.0000 5.18135E-03 0.7000 0 1
3637 B 35.45200 198.00 182.88 1.0000 0.0000 5.05051E-03 0.7002 0 1
3638 B 35.45900 191.00 182.85 1.0000 0.0000 5.23560E-03 0.7000 0 1
3639 B 35.46600 197.00 182.82 1.0000 0.0000 5.07614E-03 0.7000 0 1
3640 B 35.47300 202.00 182.79 1.0000 0.0000 4.95049E-03 0.7000 0 1
3641 B 35.48000 211.00 182.76 1.0000 0.0000 4.73934E-03 0.7000 0 1
3642 B 35.48700 198.00 182.73 1.0000 0.0000 5.05051E-03 0.7002 0 1
3643 B 35.49400 194.00 182.70 1.0000 0.0000 5.15464E-03 0.7000 0 1
3644 B 35.50100 189.00 182.67 1.0000 0.0000 5.29101E-03 0.7000 0 1
3645 B 35.50800 188.00 182.64 1.0000 0.0000 5.31915E-03 0.7000 0 1
3646 B 35.51500 185.00 182.62 1.0000 0.0000 5.40541E-03 0.7000 0 1
3647 B 35.52200 193.00 182.59 1.0000 0.0000 5.18135E-03 0.7002 0 1
3648 B 35.52900 205.00 182.56 1.0000 0.0000 4.87805E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 66
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3649 B 35.53600 196.00 182.53 1.0000 0.0000 5.10204E-03 0.7000 0 1
3650 B 35.54300 172.00 182.50 1.0000 0.0000 5.81395E-03 0.7000 0 1
3651 B 35.55000 189.00 182.47 1.0000 0.0000 5.29101E-03 0.7000 0 1
3652 B 35.55700 197.00 182.44 1.0000 0.0000 5.07614E-03 0.7002 0 1
3653 B 35.56400 195.00 182.41 1.0000 0.0000 5.12821E-03 0.7000 0 1
3654 B 35.57100 199.00 182.39 1.0000 0.0000 5.02513E-03 0.7000 0 1
3655 B 35.57800 201.00 182.36 1.0000 0.0000 4.97512E-03 0.7000 0 1
3656 B 35.58500 204.00 182.33 1.0000 0.0000 4.90196E-03 0.7000 0 1
3657 B 35.59200 216.00 182.30 1.0000 0.0000 4.62963E-03 0.7002 0 1
3658 B 35.59900 208.00 182.27 1.0000 0.0000 4.80769E-03 0.7000 0 1
3659 B 35.60600 203.00 182.24 1.0000 0.0000 4.92611E-03 0.7000 0 1
3660 B 35.61300 183.00 182.21 1.0000 0.0000 5.46448E-03 0.7000 0 1
3661 B 35.62000 176.00 182.18 1.0000 0.0000 5.68182E-03 0.7000 0 1
3662 B 35.62700 185.00 182.15 1.0000 0.0000 5.40541E-03 0.7002 0 1
3663 B 35.63400 181.00 182.13 1.0000 0.0000 5.52486E-03 0.7000 0 1
3664 B 35.64100 209.00 182.10 1.0000 0.0000 4.78469E-03 0.7000 0 1
3665 B 35.64800 183.00 182.07 1.0000 0.0000 5.46448E-03 0.7000 0 1
3666 B 35.65500 191.00 182.04 1.0000 0.0000 5.23560E-03 0.7000 0 1
3667 B 35.66200 192.00 182.01 1.0000 0.0000 5.20833E-03 0.7002 0 1
3668 B 35.66900 185.00 181.98 1.0000 0.0000 5.40541E-03 0.7000 0 1
3669 B 35.67600 195.00 181.95 1.0000 0.0000 5.12821E-03 0.7000 0 1
3670 B 35.68300 186.00 181.92 1.0000 0.0000 5.37634E-03 0.7000 0 1
3671 B 35.69000 193.00 181.90 1.0000 0.0000 5.18135E-03 0.7000 0 1
3672 B 35.69700 201.00 181.87 1.0000 0.0000 4.97512E-03 0.7002 0 1
3673 B 35.70400 183.00 181.84 1.0000 0.0000 5.46448E-03 0.7000 0 1
3674 B 35.71100 188.00 181.81 1.0000 0.0000 5.31915E-03 0.7000 0 1
3675 B 35.71800 195.00 181.78 1.0000 0.0000 5.12821E-03 0.7000 0 1
3676 B 35.72500 182.00 181.75 1.0000 0.0000 5.49451E-03 0.7000 0 1
3677 B 35.73200 185.00 181.72 1.0000 0.0000 5.40541E-03 0.7002 0 1
3678 B 35.73900 199.00 181.69 1.0000 0.0000 5.02513E-03 0.7000 0 1
3679 B 35.74600 178.00 181.67 1.0000 0.0000 5.61798E-03 0.7000 0 1
3680 B 35.75300 211.00 181.64 1.0000 0.0000 4.73934E-03 0.7000 0 1
3681 B 35.76000 175.00 181.61 1.0000 0.0000 5.71429E-03 0.7000 0 1
3682 B 35.76700 210.00 181.58 1.0000 0.0000 4.76190E-03 0.7002 0 1
3683 B 35.77400 197.00 181.55 1.0000 0.0000 5.07614E-03 0.7000 0 1
3684 B 35.78100 193.00 181.52 1.0000 0.0000 5.18135E-03 0.7000 0 1
3685 B 35.78800 193.00 181.49 1.0000 0.0000 5.18135E-03 0.7000 0 1
3686 B 35.79500 194.00 181.46 1.0000 0.0000 5.15464E-03 0.7000 0 1
3687 B 35.80200 204.00 181.44 1.0000 0.0000 4.90196E-03 0.7002 0 1
3688 B 35.80901 188.00 181.41 1.0000 0.0000 5.31915E-03 0.7000 0 1
3689 . 35.81600 190.00 182.87 1.0000 0.0000 5.26316E-03 0.7000 9 1
3690 . 35.82300 175.00 182.98 1.0000 0.0000 5.71429E-03 0.7000 9 1
3691 . 35.83000 175.00 183.11 1.0000 0.0000 5.71429E-03 0.7000 9 1
3692 . 35.83700 175.00 183.26 1.0000 0.0000 5.71429E-03 0.7002 9 1
3693 . 35.84401 174.00 183.44 1.0000 0.0000 5.74713E-03 0.7000 9 1
3694 . 35.85100 196.00 183.66 1.0000 0.0000 5.10204E-03 0.7000 9 1
3695 . 35.85800 177.00 183.93 1.0000 0.0000 5.64972E-03 0.7000 9 1
3696 . 35.86500 178.00 184.25 1.0000 0.0000 5.61798E-03 0.7000 9 1
3697 . 35.87200 178.00 184.66 1.0000 0.0000 5.61798E-03 0.7002 9 1
3698 . 35.87901 176.00 185.21 1.0000 0.0000 5.68182E-03 0.7000 9 1
3699 . 35.88600 174.00 186.01 1.0000 0.0000 5.74713E-03 0.7000 9 1
3700 . 35.89300 168.00 187.29 1.0000 0.0000 5.95238E-03 0.7000 9 1
3701 . 35.90000 181.00 189.46 1.0000 0.0000 5.52486E-03 0.7000 9 1
3702 . 35.90700 183.00 193.97 1.0000 0.0000 5.46448E-03 0.7002 9 2
3703 . 35.91401 175.00 200.51 1.0000 0.0000 5.71429E-03 0.7000 9 2
3704 . 35.92100 199.00 211.09 1.0000 0.0000 5.02513E-03 0.7000 9 2
3705 . 35.92800 196.00 227.15 1.0000 0.0000 5.10204E-03 0.7000 9 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 67
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3706 . 35.93500 192.00 249.54 1.0000 0.0000 5.20833E-03 0.7000 9 2
3707 . 35.94200 185.00 278.00 1.0000 0.0000 5.40541E-03 0.7002 9 2
3708 . 35.94901 201.00 310.44 1.0000 0.0000 4.97512E-03 0.7000 9 2
3709 . 35.95600 185.00 342.58 1.0000 0.0000 5.40541E-03 0.7000 9 2
3710 . 35.96300 174.00 368.42 1.0000 0.0000 5.74713E-03 0.7000 9 2
3711 .1 35.97000 185.00 381.32 1.0000 0.0000 5.40541E-03 0.7000 9 2
3712 . 35.97700 197.00 377.28 1.0000 0.0000 5.07614E-03 0.7002 9 2
3713 . 35.98400 176.00 357.88 1.0000 0.0000 5.68182E-03 0.7000 9 2
3714 . 35.99100 188.00 329.18 1.0000 0.0000 5.31915E-03 0.7000 9 2
3715 . 35.99800 183.00 298.11 1.0000 0.0000 5.46448E-03 0.7000 9 2
3716 . 36.00500 183.00 270.43 1.0000 0.0000 5.46448E-03 0.7000 9 2
3717 . 36.01200 178.00 249.92 1.0000 0.0000 5.61798E-03 0.7002 9 2
3718 . 36.01900 180.00 238.43 1.0000 0.0000 5.55556E-03 0.7000 9 2
3719 . 36.02600 167.00 236.07 1.0000 0.0000 5.98802E-03 0.7000 9 2
3720 . 36.03300 170.00 241.54 1.0000 0.0000 5.88235E-03 0.7000 9 2
3721 . 36.04000 161.00 252.45 1.0000 0.0000 6.21118E-03 0.7000 9 2
3722 . 36.04700 177.00 265.60 1.0000 0.0000 5.64972E-03 0.7002 9 2
3723 . 36.05400 176.00 277.17 1.0000 0.0000 5.68182E-03 0.7000 9 2
3724 .1 36.06100 197.00 283.26 1.0000 0.0000 5.07614E-03 0.7000 9 2
3725 . 36.06800 161.00 281.31 1.0000 0.0000 6.21118E-03 0.7000 9 2
3726 . 36.07500 173.00 271.60 1.0000 0.0000 5.78035E-03 0.7000 9 2
3727 . 36.08200 187.00 256.78 1.0000 0.0000 5.34759E-03 0.7002 9 2
3728 . 36.08900 200.00 240.13 1.0000 0.0000 5.00000E-03 0.7000 9 2
3729 . 36.09600 184.00 224.37 1.0000 0.0000 5.43478E-03 0.7000 9 2
3730 . 36.10300 206.00 211.12 1.0000 0.0000 4.85437E-03 0.7000 9 2
3731 . 36.11000 198.00 201.06 1.0000 0.0000 5.05051E-03 0.7000 9 2
3732 . 36.11700 172.00 194.05 1.0000 0.0000 5.81395E-03 0.7002 9 2
3733 . 36.12400 158.00 187.96 1.0000 0.0000 6.32911E-03 0.7000 10 1
3734 . 36.13100 161.00 185.30 1.0000 0.0000 6.21118E-03 0.7000 10 1
3735 . 36.13800 178.00 183.75 1.0000 0.0000 5.61798E-03 0.7000 10 1
3736 . 36.14500 175.00 182.83 1.0000 0.0000 5.71429E-03 0.7000 10 1
3737 . 36.15200 175.00 182.27 1.0000 0.0000 5.71429E-03 0.7002 10 1
3738 . 36.15900 188.00 181.88 1.0000 0.0000 5.31915E-03 0.7000 10 1
3739 . 36.16600 186.00 181.60 1.0000 0.0000 5.37634E-03 0.7000 10 1
3740 . 36.17300 176.00 181.37 1.0000 0.0000 5.68182E-03 0.7000 10 1
3741 . 36.18000 186.00 181.18 1.0000 0.0000 5.37634E-03 0.7000 10 1
3742 . 36.18700 202.00 181.02 1.0000 0.0000 4.95049E-03 0.7002 10 1
3743 . 36.19400 164.00 180.87 1.0000 0.0000 6.09756E-03 0.7000 10 1
3744 . 36.20100 168.00 180.75 1.0000 0.0000 5.95238E-03 0.7000 10 1
3745 . 36.20800 172.00 180.63 1.0000 0.0000 5.81395E-03 0.7000 10 1
3746 B 36.21500 185.00 179.75 1.0000 0.0000 5.40541E-03 0.7000 0 1
3747 B 36.22200 178.00 179.72 1.0000 0.0000 5.61798E-03 0.7002 0 1
3748 B 36.22900 181.00 179.69 1.0000 0.0000 5.52486E-03 0.7000 0 1
3749 B 36.23600 181.00 179.66 1.0000 0.0000 5.52486E-03 0.7000 0 1
3750 B 36.24300 171.00 179.63 1.0000 0.0000 5.84795E-03 0.7000 0 1
3751 B 36.25000 164.00 179.60 1.0000 0.0000 6.09756E-03 0.7000 0 1
3752 B 36.25700 188.00 179.57 1.0000 0.0000 5.31915E-03 0.7002 0 1
3753 B 36.26400 173.00 179.55 1.0000 0.0000 5.78035E-03 0.7000 0 1
3754 B 36.27100 147.00 179.52 1.0000 0.0000 6.80272E-03 0.7000 0 1
3755 B 36.27800 170.00 179.49 1.0000 0.0000 5.88235E-03 0.7000 0 1
3756 B 36.28500 193.00 179.46 1.0000 0.0000 5.18135E-03 0.7000 0 1
3757 B 36.29200 164.00 179.43 1.0000 0.0000 6.09756E-03 0.7002 0 1
3758 B 36.29900 177.00 179.40 1.0000 0.0000 5.64972E-03 0.7000 0 1
3759 B 36.30600 162.00 179.37 1.0000 0.0000 6.17284E-03 0.7000 0 1
3760 B 36.31300 153.00 179.35 1.0000 0.0000 6.53595E-03 0.7000 0 1
3761 B 36.32000 174.00 179.32 1.0000 0.0000 5.74713E-03 0.7000 0 1
3762 B 36.32700 189.00 179.29 1.0000 0.0000 5.29101E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 68
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3763 B 36.33400 167.00 179.26 1.0000 0.0000 5.98802E-03 0.7000 0 1
3764 B 36.34100 162.00 179.23 1.0000 0.0000 6.17284E-03 0.7000 0 1
3765 B 36.34800 177.00 179.20 1.0000 0.0000 5.64972E-03 0.7000 0 1
3766 B 36.35500 165.00 179.18 1.0000 0.0000 6.06061E-03 0.7000 0 1
3767 B 36.36200 177.00 179.15 1.0000 0.0000 5.64972E-03 0.7002 0 1
3768 B 36.36900 181.00 179.12 1.0000 0.0000 5.52486E-03 0.7000 0 1
3769 B 36.37600 178.00 179.09 1.0000 0.0000 5.61798E-03 0.7000 0 1
3770 B 36.38300 187.00 179.06 1.0000 0.0000 5.34759E-03 0.7000 0 1
3771 B 36.39000 175.00 179.03 1.0000 0.0000 5.71429E-03 0.7000 0 1
3772 B 36.39700 175.00 179.00 1.0000 0.0000 5.71429E-03 0.7002 0 1
3773 B 36.40400 171.00 178.98 1.0000 0.0000 5.84795E-03 0.7000 0 1
3774 B 36.41100 192.00 178.95 1.0000 0.0000 5.20833E-03 0.7000 0 1
3775 B 36.41800 171.00 178.92 1.0000 0.0000 5.84795E-03 0.7000 0 1
3776 B 36.42500 169.00 178.89 1.0000 0.0000 5.91716E-03 0.7000 0 1
3777 B 36.43200 175.00 178.86 1.0000 0.0000 5.71429E-03 0.7002 0 1
3778 B 36.43900 190.00 178.83 1.0000 0.0000 5.26316E-03 0.7000 0 1
3779 B 36.44600 181.00 178.81 1.0000 0.0000 5.52486E-03 0.7000 0 1
3780 B 36.45300 194.00 178.78 1.0000 0.0000 5.15464E-03 0.7000 0 1
3781 B 36.46000 203.00 178.75 1.0000 0.0000 4.92611E-03 0.7000 0 1
3782 B 36.46700 180.00 178.72 1.0000 0.0000 5.55556E-03 0.7002 0 1
3783 B 36.47400 185.00 178.69 1.0000 0.0000 5.40541E-03 0.7000 0 1
3784 B 36.48100 177.00 178.66 1.0000 0.0000 5.64972E-03 0.7000 0 1
3785 B 36.48800 201.00 178.63 1.0000 0.0000 4.97512E-03 0.7000 0 1
3786 B 36.49500 192.00 178.61 1.0000 0.0000 5.20833E-03 0.7000 0 1
3787 B 36.50200 169.00 178.58 1.0000 0.0000 5.91716E-03 0.7002 0 1
3788 B 36.50900 175.00 178.55 1.0000 0.0000 5.71429E-03 0.7000 0 1
3789 B 36.51600 171.00 178.52 1.0000 0.0000 5.84795E-03 0.7000 0 1
3790 B 36.52300 181.00 178.49 1.0000 0.0000 5.52486E-03 0.7000 0 1
3791 B 36.53000 189.00 178.46 1.0000 0.0000 5.29101E-03 0.7000 0 1
3792 B 36.53700 176.00 178.44 1.0000 0.0000 5.68182E-03 0.7002 0 1
3793 B 36.54400 174.00 178.41 1.0000 0.0000 5.74713E-03 0.7000 0 1
3794 B 36.55100 190.00 178.38 1.0000 0.0000 5.26316E-03 0.7000 0 1
3795 B 36.55800 185.00 178.35 1.0000 0.0000 5.40541E-03 0.7000 0 1
3796 B 36.56500 168.00 178.32 1.0000 0.0000 5.95238E-03 0.7000 0 1
3797 B 36.57200 182.00 178.29 1.0000 0.0000 5.49451E-03 0.7002 0 1
3798 B 36.57900 193.00 178.27 1.0000 0.0000 5.18135E-03 0.7000 0 1
3799 B 36.58600 183.00 178.24 1.0000 0.0000 5.46448E-03 0.7000 0 1
3800 B 36.59300 176.00 178.21 1.0000 0.0000 5.68182E-03 0.7000 0 1
3801 B 36.60000 193.00 178.18 1.0000 0.0000 5.18135E-03 0.7000 0 1
3802 B 36.60700 181.00 178.15 1.0000 0.0000 5.52486E-03 0.7002 0 1
3803 B 36.61400 199.00 178.12 1.0000 0.0000 5.02513E-03 0.7000 0 1
3804 B 36.62100 176.00 178.09 1.0000 0.0000 5.68182E-03 0.7000 0 1
3805 B 36.62800 179.00 178.07 1.0000 0.0000 5.58659E-03 0.7000 0 1
3806 B 36.63500 195.00 178.04 1.0000 0.0000 5.12821E-03 0.7000 0 1
3807 B 36.64200 181.00 178.01 1.0000 0.0000 5.52486E-03 0.7002 0 1
3808 B 36.64900 170.00 177.98 1.0000 0.0000 5.88235E-03 0.7000 0 1
3809 B 36.65600 177.00 177.95 1.0000 0.0000 5.64972E-03 0.7000 0 1
3810 B 36.66300 181.00 177.92 1.0000 0.0000 5.52486E-03 0.7000 0 1
3811 B 36.67000 180.00 177.90 1.0000 0.0000 5.55556E-03 0.7000 0 1
3812 B 36.67700 189.00 177.87 1.0000 0.0000 5.29101E-03 0.7002 0 1
3813 B 36.68401 163.00 177.84 1.0000 0.0000 6.13497E-03 0.7000 0 1
3814 B 36.69100 169.00 177.81 1.0000 0.0000 5.91716E-03 0.7000 0 1
3815 B 36.69800 197.00 177.78 1.0000 0.0000 5.07614E-03 0.7000 0 1
3816 B 36.70500 192.00 177.75 1.0000 0.0000 5.20833E-03 0.7000 0 1
3817 B 36.71200 176.00 177.73 1.0000 0.0000 5.68182E-03 0.7002 0 1
3818 B 36.71901 188.00 177.70 1.0000 0.0000 5.31915E-03 0.7000 0 1
3819 B 36.72600 212.00 177.67 1.0000 0.0000 4.71698E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 69
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3820 B 36.73300 167.00 177.64 1.0000 0.0000 5.98802E-03 0.7000 0 1
3821 B 36.74000 172.00 177.61 1.0000 0.0000 5.81395E-03 0.7000 0 1
3822 B 36.74700 179.00 177.58 1.0000 0.0000 5.58659E-03 0.7002 0 1
3823 B 36.75401 196.00 177.56 1.0000 0.0000 5.10204E-03 0.7000 0 1
3824 B 36.76100 215.00 177.53 1.0000 0.0000 4.65116E-03 0.7000 0 1
3825 B 36.76800 193.00 177.50 1.0000 0.0000 5.18135E-03 0.7000 0 1
3826 B 36.77500 165.00 177.47 1.0000 0.0000 6.06061E-03 0.7000 0 1
3827 B 36.78200 192.00 177.44 1.0000 0.0000 5.20833E-03 0.7002 0 1
3828 B 36.78901 189.00 177.41 1.0000 0.0000 5.29101E-03 0.7000 0 1
3829 B 36.79600 192.00 177.39 1.0000 0.0000 5.20833E-03 0.7000 0 1
3830 B 36.80300 170.00 177.36 1.0000 0.0000 5.88235E-03 0.7000 0 1
3831 B 36.81000 194.00 177.33 1.0000 0.0000 5.15464E-03 0.7000 0 1
3832 B 36.81700 181.00 177.30 1.0000 0.0000 5.52486E-03 0.7002 0 1
3833 B 36.82401 202.00 177.27 1.0000 0.0000 4.95049E-03 0.7000 0 1
3834 B 36.83100 215.00 177.25 1.0000 0.0000 4.65116E-03 0.7000 0 1
3835 B 36.83800 187.00 177.22 1.0000 0.0000 5.34759E-03 0.7000 0 1
3836 B 36.84500 196.00 177.19 1.0000 0.0000 5.10204E-03 0.7000 0 1
3837 B 36.85200 206.00 177.16 1.0000 0.0000 4.85437E-03 0.7002 0 1
3838 B 36.85900 183.00 177.13 1.0000 0.0000 5.46448E-03 0.7000 0 1
3839 B 36.86600 194.00 177.10 1.0000 0.0000 5.15464E-03 0.7000 0 1
3840 B 36.87300 200.00 177.08 1.0000 0.0000 5.00000E-03 0.7000 0 1
3841 B 36.88000 186.00 177.05 1.0000 0.0000 5.37634E-03 0.7000 0 1
3842 B 36.88700 185.00 177.02 1.0000 0.0000 5.40541E-03 0.7002 0 1
3843 B 36.89400 172.00 176.99 1.0000 0.0000 5.81395E-03 0.7000 0 1
3844 B 36.90100 180.00 176.96 1.0000 0.0000 5.55556E-03 0.7000 0 1
3845 B 36.90800 186.00 176.93 1.0000 0.0000 5.37634E-03 0.7000 0 1
3846 B 36.91500 202.00 176.91 1.0000 0.0000 4.95049E-03 0.7000 0 1
3847 B 36.92200 225.00 176.88 1.0000 0.0000 4.44444E-03 0.7002 0 1
3848 B 36.92900 184.00 176.85 1.0000 0.0000 5.43478E-03 0.7000 0 1
3849 B 36.93600 205.00 176.82 1.0000 0.0000 4.87805E-03 0.7000 0 1
3850 B 36.94300 181.00 176.79 1.0000 0.0000 5.52486E-03 0.7000 0 1
3851 B 36.95000 179.00 176.76 1.0000 0.0000 5.58659E-03 0.7000 0 1
3852 B 36.95700 193.00 176.74 1.0000 0.0000 5.18135E-03 0.7002 0 1
3853 B 36.96400 191.00 176.71 1.0000 0.0000 5.23560E-03 0.7000 0 1
3854 B 36.97100 197.00 176.68 1.0000 0.0000 5.07614E-03 0.7000 0 1
3855 B 36.97800 201.00 176.65 1.0000 0.0000 4.97512E-03 0.7000 0 1
3856 B 36.98500 207.00 176.62 1.0000 0.0000 4.83092E-03 0.7000 0 1
3857 B 36.99200 194.00 176.60 1.0000 0.0000 5.15464E-03 0.7002 0 1
3858 B 36.99900 184.00 176.57 1.0000 0.0000 5.43478E-03 0.7000 0 1
3859 B 37.00600 184.00 176.54 1.0000 0.0000 5.43478E-03 0.7000 0 1
3860 B 37.01300 186.00 176.51 1.0000 0.0000 5.37634E-03 0.7000 0 1
3861 B 37.02000 206.00 176.48 1.0000 0.0000 4.85437E-03 0.7000 0 1
3862 B 37.02700 184.00 176.45 1.0000 0.0000 5.43478E-03 0.7002 0 1
3863 B 37.03400 195.00 176.43 1.0000 0.0000 5.12821E-03 0.7000 0 1
3864 B 37.04100 207.00 176.40 1.0000 0.0000 4.83092E-03 0.7000 0 1
3865 B 37.04800 191.00 176.37 1.0000 0.0000 5.23560E-03 0.7000 0 1
3866 B 37.05500 200.00 176.34 1.0000 0.0000 5.00000E-03 0.7000 0 1
3867 B 37.06200 195.00 176.31 1.0000 0.0000 5.12821E-03 0.7002 0 1
3868 B 37.06900 203.00 176.29 1.0000 0.0000 4.92611E-03 0.7000 0 1
3869 B 37.07600 198.00 176.26 1.0000 0.0000 5.05051E-03 0.7000 0 1
3870 B 37.08300 195.00 176.23 1.0000 0.0000 5.12821E-03 0.7000 0 1
3871 B 37.09000 189.00 176.20 1.0000 0.0000 5.29101E-03 0.7000 0 1
3872 B 37.09700 203.00 176.17 1.0000 0.0000 4.92611E-03 0.7002 0 1
3873 B 37.10400 204.00 176.14 1.0000 0.0000 4.90196E-03 0.7000 0 1
3874 B 37.11100 204.00 176.12 1.0000 0.0000 4.90196E-03 0.7000 0 1
3875 B 37.11800 204.00 176.09 1.0000 0.0000 4.90196E-03 0.7000 0 1
3876 B 37.12500 190.00 176.06 1.0000 0.0000 5.26316E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 70
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3877 B 37.13200 197.00 176.03 1.0000 0.0000 5.07614E-03 0.7002 0 1
3878 B 37.13900 192.00 176.00 1.0000 0.0000 5.20833E-03 0.7000 0 1
3879 B 37.14600 202.00 175.98 1.0000 0.0000 4.95049E-03 0.7000 0 1
3880 B 37.15300 204.00 175.95 1.0000 0.0000 4.90196E-03 0.7000 0 1
3881 B 37.16000 192.00 175.92 1.0000 0.0000 5.20833E-03 0.7000 0 1
3882 B 37.16700 206.00 175.89 1.0000 0.0000 4.85437E-03 0.7002 0 1
3883 B 37.17400 221.00 175.86 1.0000 0.0000 4.52489E-03 0.7000 0 1
3884 B 37.18100 206.00 175.84 1.0000 0.0000 4.85437E-03 0.7000 0 1
3885 B 37.18800 193.00 175.81 1.0000 0.0000 5.18135E-03 0.7000 0 1
3886 B 37.19500 185.00 175.78 1.0000 0.0000 5.40541E-03 0.7000 0 1
3887 B 37.20200 201.00 175.75 1.0000 0.0000 4.97512E-03 0.7002 0 1
3888 B 37.20900 211.00 175.72 1.0000 0.0000 4.73934E-03 0.7000 0 1
3889 B 37.21600 210.00 175.69 1.0000 0.0000 4.76190E-03 0.7000 0 1
3890 B 37.22300 201.00 175.67 1.0000 0.0000 4.97512E-03 0.7000 0 1
3891 B 37.23000 204.00 175.64 1.0000 0.0000 4.90196E-03 0.7000 0 1
3892 B 37.23700 206.00 175.61 1.0000 0.0000 4.85437E-03 0.7002 0 1
3893 B 37.24400 209.00 175.58 1.0000 0.0000 4.78469E-03 0.7000 0 1
3894 B 37.25100 192.00 175.55 1.0000 0.0000 5.20833E-03 0.7000 0 1
3895 B 37.25800 197.00 175.53 1.0000 0.0000 5.07614E-03 0.7000 0 1
3896 B 37.26500 196.00 175.50 1.0000 0.0000 5.10204E-03 0.7000 0 1
3897 B 37.27200 177.00 175.47 1.0000 0.0000 5.64972E-03 0.7002 0 1
3898 B 37.27900 196.00 175.44 1.0000 0.0000 5.10204E-03 0.7000 0 1
3899 B 37.28600 200.00 175.41 1.0000 0.0000 5.00000E-03 0.7000 0 1
3900 B 37.29300 209.00 175.39 1.0000 0.0000 4.78469E-03 0.7000 0 1
3901 B 37.30000 199.00 175.36 1.0000 0.0000 5.02513E-03 0.7000 0 1
3902 B 37.30700 199.00 175.33 1.0000 0.0000 5.02513E-03 0.7002 0 1
3903 B 37.31400 210.00 175.30 1.0000 0.0000 4.76190E-03 0.7000 0 1
3904 B 37.32100 215.00 175.27 1.0000 0.0000 4.65116E-03 0.7000 0 1
3905 B 37.32800 199.00 175.25 1.0000 0.0000 5.02513E-03 0.7000 0 1
3906 B 37.33500 178.00 175.22 1.0000 0.0000 5.61798E-03 0.7000 0 1
3907 B 37.34200 195.00 175.19 1.0000 0.0000 5.12821E-03 0.7002 0 1
3908 B 37.34900 211.00 175.16 1.0000 0.0000 4.73934E-03 0.7000 0 1
3909 B 37.35600 191.00 175.13 1.0000 0.0000 5.23560E-03 0.7000 0 1
3910 B 37.36300 209.00 175.10 1.0000 0.0000 4.78469E-03 0.7000 0 1
3911 B 37.37000 187.00 175.08 1.0000 0.0000 5.34759E-03 0.7000 0 1
3912 B 37.37700 194.00 175.05 1.0000 0.0000 5.15464E-03 0.7002 0 1
3913 B 37.38400 193.00 175.02 1.0000 0.0000 5.18135E-03 0.7000 0 1
3914 B 37.39100 207.00 174.99 1.0000 0.0000 4.83092E-03 0.7000 0 1
3915 B 37.39800 201.00 174.96 1.0000 0.0000 4.97512E-03 0.7000 0 1
3916 B 37.40500 215.00 174.94 1.0000 0.0000 4.65116E-03 0.7000 0 1
3917 B 37.41200 222.00 174.91 1.0000 0.0000 4.50450E-03 0.7002 0 1
3918 B 37.41900 237.00 174.88 1.0000 0.0000 4.21941E-03 0.7000 0 1
3919 B 37.42600 235.00 174.85 1.0000 0.0000 4.25532E-03 0.7000 0 1
3920 B 37.43300 221.00 174.82 1.0000 0.0000 4.52489E-03 0.7000 0 1
3921 B 37.44000 215.00 174.80 1.0000 0.0000 4.65116E-03 0.7000 0 1
3922 B 37.44700 220.00 174.77 1.0000 0.0000 4.54545E-03 0.7002 0 1
3923 B 37.45400 228.00 174.74 1.0000 0.0000 4.38596E-03 0.7000 0 1
3924 B 37.46100 220.00 174.71 1.0000 0.0000 4.54545E-03 0.7000 0 1
3925 B 37.46800 239.00 174.68 1.0000 0.0000 4.18410E-03 0.7000 0 1
3926 B 37.47500 243.00 174.66 1.0000 0.0000 4.11523E-03 0.7000 0 1
3927 B 37.48200 236.00 174.63 1.0000 0.0000 4.23729E-03 0.7002 0 1
3928 B 37.48900 238.00 174.60 1.0000 0.0000 4.20168E-03 0.7000 0 1
3929 B 37.49600 214.00 174.57 1.0000 0.0000 4.67290E-03 0.7000 0 1
3930 B 37.50300 232.00 174.54 1.0000 0.0000 4.31034E-03 0.7000 0 1
3931 B 37.51000 237.00 174.52 1.0000 0.0000 4.21941E-03 0.7000 0 1
3932 B 37.51700 235.00 174.49 1.0000 0.0000 4.25532E-03 0.7002 0 1
3933 B 37.52400 219.00 174.46 1.0000 0.0000 4.56621E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 71
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3934 B 37.53100 220.00 174.43 1.0000 0.0000 4.54545E-03 0.7000 0 1
3935 B 37.53800 215.00 174.40 1.0000 0.0000 4.65116E-03 0.7000 0 1
3936 B 37.54500 209.00 174.38 1.0000 0.0000 4.78469E-03 0.7000 0 1
3937 B 37.55200 205.00 174.35 1.0000 0.0000 4.87805E-03 0.7002 0 1
3938 B 37.55901 207.00 174.32 1.0000 0.0000 4.83092E-03 0.7000 0 1
3939 B 37.56600 232.00 174.29 1.0000 0.0000 4.31034E-03 0.7000 0 1
3940 B 37.57300 235.00 174.26 1.0000 0.0000 4.25532E-03 0.7000 0 1
3941 B 37.58000 252.00 174.24 1.0000 0.0000 3.96825E-03 0.7000 0 1
3942 B 37.58700 221.00 174.21 1.0000 0.0000 4.52489E-03 0.7002 0 1
3943 B 37.59401 246.00 174.18 1.0000 0.0000 4.06504E-03 0.7000 0 1
3944 B 37.60100 229.00 174.15 1.0000 0.0000 4.36681E-03 0.7000 0 1
3945 B 37.60800 242.00 174.13 1.0000 0.0000 4.13223E-03 0.7000 0 1
3946 B 37.61500 241.00 174.10 1.0000 0.0000 4.14938E-03 0.7000 0 1
3947 B 37.62200 242.00 174.07 1.0000 0.0000 4.13223E-03 0.7002 0 1
3948 B 37.62901 240.00 174.04 1.0000 0.0000 4.16667E-03 0.7000 0 1
3949 B 37.63600 250.00 174.01 1.0000 0.0000 4.00000E-03 0.7000 0 1
3950 B 37.64300 252.00 173.99 1.0000 0.0000 3.96825E-03 0.7000 0 1
3951 B 37.65000 235.00 173.96 1.0000 0.0000 4.25532E-03 0.7000 0 1
3952 B 37.65700 242.00 173.93 1.0000 0.0000 4.13223E-03 0.7002 0 1
3953 B 37.66401 238.00 173.90 1.0000 0.0000 4.20168E-03 0.7000 0 1
3954 B 37.67100 249.00 173.87 1.0000 0.0000 4.01606E-03 0.7000 0 1
3955 B 37.67800 239.00 173.85 1.0000 0.0000 4.18410E-03 0.7000 0 1
3956 B 37.68500 232.00 173.82 1.0000 0.0000 4.31034E-03 0.7000 0 1
3957 B 37.69200 259.00 173.79 1.0000 0.0000 3.86100E-03 0.7002 0 1
3958 B 37.69901 249.00 173.76 1.0000 0.0000 4.01606E-03 0.7000 0 1
3959 B 37.70600 243.00 173.73 1.0000 0.0000 4.11523E-03 0.7000 0 1
3960 B 37.71300 252.00 173.71 1.0000 0.0000 3.96825E-03 0.7000 0 1
3961 B 37.72000 259.00 173.68 1.0000 0.0000 3.86100E-03 0.7000 0 1
3962 B 37.72700 266.00 173.65 1.0000 0.0000 3.75940E-03 0.7002 0 1
3963 B 37.73400 257.00 173.62 1.0000 0.0000 3.89105E-03 0.7000 0 1
3964 B 37.74100 248.00 173.60 1.0000 0.0000 4.03226E-03 0.7000 0 1
3965 B 37.74800 257.00 173.57 1.0000 0.0000 3.89105E-03 0.7000 0 1
3966 B 37.75500 266.00 173.54 1.0000 0.0000 3.75940E-03 0.7000 0 1
3967 B 37.76200 257.00 173.51 1.0000 0.0000 3.89105E-03 0.7002 0 1
3968 B 37.76900 248.00 173.48 1.0000 0.0000 4.03226E-03 0.7000 0 1
3969 B 37.77600 255.00 173.46 1.0000 0.0000 3.92157E-03 0.7000 0 1
3970 B 37.78300 252.00 173.43 1.0000 0.0000 3.96825E-03 0.7000 0 1
3971 B 37.79000 253.00 173.40 1.0000 0.0000 3.95257E-03 0.7000 0 1
3972 B 37.79700 250.00 173.37 1.0000 0.0000 4.00000E-03 0.7002 0 1
3973 B 37.80400 261.00 173.34 1.0000 0.0000 3.83142E-03 0.7000 0 1
3974 B 37.81100 270.00 173.32 1.0000 0.0000 3.70370E-03 0.7000 0 1
3975 B 37.81800 284.00 173.29 1.0000 0.0000 3.52113E-03 0.7000 0 1
3976 B 37.82500 282.00 173.26 1.0000 0.0000 3.54610E-03 0.7000 0 1
3977 B 37.83200 251.00 173.23 1.0000 0.0000 3.98406E-03 0.7002 0 1
3978 B 37.83900 244.00 173.21 1.0000 0.0000 4.09836E-03 0.7000 0 1
3979 B 37.84600 266.00 173.18 1.0000 0.0000 3.75940E-03 0.7000 0 1
3980 B 37.85300 273.00 173.15 1.0000 0.0000 3.66300E-03 0.7000 0 1
3981 B 37.86000 256.00 173.12 1.0000 0.0000 3.90625E-03 0.7000 0 1
3982 B 37.86700 266.00 173.09 1.0000 0.0000 3.75940E-03 0.7002 0 1
3983 B 37.87400 263.00 173.07 1.0000 0.0000 3.80228E-03 0.7000 0 1
3984 B 37.88100 269.00 173.04 1.0000 0.0000 3.71747E-03 0.7000 0 1
3985 B 37.88800 263.00 173.01 1.0000 0.0000 3.80228E-03 0.7000 0 1
3986 B 37.89500 249.00 172.98 1.0000 0.0000 4.01606E-03 0.7000 0 1
3987 B 37.90200 280.00 172.95 1.0000 0.0000 3.57143E-03 0.7002 0 1
3988 B 37.90900 260.00 172.93 1.0000 0.0000 3.84615E-03 0.7000 0 1
3989 B 37.91600 235.00 172.90 1.0000 0.0000 4.25532E-03 0.7000 0 1
3990 B 37.92300 278.00 172.87 1.0000 0.0000 3.59712E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 72
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
3991 B 37.93000 289.00 172.84 1.0000 0.0000 3.46021E-03 0.7000 0 1
3992 B 37.93700 293.00 172.82 1.0000 0.0000 3.41297E-03 0.7002 0 1
3993 B 37.94400 294.00 172.79 1.0000 0.0000 3.40136E-03 0.7000 0 1
3994 B 37.95100 266.00 172.76 1.0000 0.0000 3.75940E-03 0.7000 0 1
3995 B 37.95800 265.00 172.73 1.0000 0.0000 3.77358E-03 0.7000 0 1
3996 B 37.96500 279.00 172.70 1.0000 0.0000 3.58423E-03 0.7000 0 1
3997 B 37.97200 269.00 172.68 1.0000 0.0000 3.71747E-03 0.7002 0 1
3998 B 37.97900 306.00 172.65 1.0000 0.0000 3.26797E-03 0.7000 0 1
3999 B 37.98600 302.00 172.62 1.0000 0.0000 3.31126E-03 0.7000 0 1
4000 B 37.99300 295.00 172.59 1.0000 0.0000 3.38983E-03 0.7000 0 1
4001 B 38.00000 280.00 172.57 1.0000 0.0000 3.57143E-03 0.7000 0 1
4002 B 38.00700 304.00 172.54 1.0000 0.0000 3.28947E-03 0.7002 0 1
4003 B 38.01400 274.00 172.51 1.0000 0.0000 3.64964E-03 0.7000 0 1
4004 B 38.02100 308.00 172.48 1.0000 0.0000 3.24675E-03 0.7000 0 1
4005 B 38.02800 300.00 172.45 1.0000 0.0000 3.33333E-03 0.7000 0 1
4006 B 38.03500 280.00 172.43 1.0000 0.0000 3.57143E-03 0.7000 0 1
4007 B 38.04200 298.00 172.40 1.0000 0.0000 3.35570E-03 0.7002 0 1
4008 B 38.04900 293.00 172.37 1.0000 0.0000 3.41297E-03 0.7000 0 1
4009 B 38.05600 282.00 172.34 1.0000 0.0000 3.54610E-03 0.7000 0 1
4010 B 38.06300 291.00 172.32 1.0000 0.0000 3.43643E-03 0.7000 0 1
4011 B 38.07000 313.00 172.29 1.0000 0.0000 3.19489E-03 0.7000 0 1
4012 B 38.07700 310.00 172.26 1.0000 0.0000 3.22581E-03 0.7002 0 1
4013 B 38.08400 298.00 172.23 1.0000 0.0000 3.35570E-03 0.7000 0 1
4014 B 38.09100 280.00 172.20 1.0000 0.0000 3.57143E-03 0.7000 0 1
4015 B 38.09800 282.00 172.18 1.0000 0.0000 3.54610E-03 0.7000 0 1
4016 B 38.10500 308.00 172.15 1.0000 0.0000 3.24675E-03 0.7000 0 1
4017 B 38.11200 309.00 172.12 1.0000 0.0000 3.23625E-03 0.7002 0 1
4018 B 38.11900 334.00 172.09 1.0000 0.0000 2.99401E-03 0.7000 0 1
4019 B 38.12600 325.00 172.07 1.0000 0.0000 3.07692E-03 0.7000 0 1
4020 B 38.13300 325.00 172.04 1.0000 0.0000 3.07692E-03 0.7000 0 1
4021 B 38.14000 331.00 172.01 1.0000 0.0000 3.02115E-03 0.7000 0 1
4022 B 38.14700 312.00 171.98 1.0000 0.0000 3.20513E-03 0.7002 0 1
4023 B 38.15400 308.00 171.96 1.0000 0.0000 3.24675E-03 0.7000 0 1
4024 B 38.16100 329.00 171.93 1.0000 0.0000 3.03951E-03 0.7000 0 1
4025 B 38.16800 326.00 171.90 1.0000 0.0000 3.06748E-03 0.7000 0 1
4026 B 38.17500 339.00 171.87 1.0000 0.0000 2.94985E-03 0.7000 0 1
4027 B 38.18200 340.00 171.84 1.0000 0.0000 2.94118E-03 0.7002 0 1
4028 B 38.18900 343.00 171.82 1.0000 0.0000 2.91545E-03 0.7000 0 1
4029 B 38.19600 329.00 171.79 1.0000 0.0000 3.03951E-03 0.7000 0 1
4030 B 38.20300 349.00 171.76 1.0000 0.0000 2.86533E-03 0.7000 0 1
4031 B 38.21000 350.00 171.73 1.0000 0.0000 2.85714E-03 0.7000 0 1
4032 B 38.21700 332.00 171.71 1.0000 0.0000 3.01205E-03 0.7002 0 1
4033 B 38.22400 347.00 171.68 1.0000 0.0000 2.88184E-03 0.7000 0 1
4034 B 38.23100 326.00 171.65 1.0000 0.0000 3.06748E-03 0.7000 0 1
4035 B 38.23800 345.00 171.62 1.0000 0.0000 2.89855E-03 0.7000 0 1
4036 B 38.24500 337.00 171.60 1.0000 0.0000 2.96736E-03 0.7000 0 1
4037 B 38.25200 334.00 171.57 1.0000 0.0000 2.99401E-03 0.7002 0 1
4038 B 38.25900 354.00 171.54 1.0000 0.0000 2.82486E-03 0.7000 0 1
4039 B 38.26600 367.00 171.51 1.0000 0.0000 2.72480E-03 0.7000 0 1
4040 B 38.27300 354.00 171.49 1.0000 0.0000 2.82486E-03 0.7000 0 1
4041 B 38.28000 343.00 171.46 1.0000 0.0000 2.91545E-03 0.7000 0 1
4042 B 38.28700 367.00 171.43 1.0000 0.0000 2.72480E-03 0.7002 0 1
4043 B 38.29400 368.00 171.40 1.0000 0.0000 2.71739E-03 0.7000 0 1
4044 B 38.30100 363.00 171.37 1.0000 0.0000 2.75482E-03 0.7000 0 1
4045 B 38.30800 358.00 171.35 1.0000 0.0000 2.79330E-03 0.7000 0 1
4046 B 38.31500 350.00 171.32 1.0000 0.0000 2.85714E-03 0.7000 0 1
4047 B 38.32200 374.00 171.29 1.0000 0.0000 2.67380E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 73
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4048 B 38.32900 375.00 171.26 1.0000 0.0000 2.66667E-03 0.7000 0 1
4049 B 38.33600 394.00 171.24 1.0000 0.0000 2.53807E-03 0.7000 0 1
4050 B 38.34300 375.00 171.21 1.0000 0.0000 2.66667E-03 0.7000 0 1
4051 B 38.35000 376.00 171.18 1.0000 0.0000 2.65957E-03 0.7000 0 1
4052 B 38.35700 382.00 171.15 1.0000 0.0000 2.61780E-03 0.7002 0 1
4053 B 38.36400 360.00 171.13 1.0000 0.0000 2.77778E-03 0.7000 0 1
4054 B 38.37100 365.00 171.10 1.0000 0.0000 2.73973E-03 0.7000 0 1
4055 B 38.37800 383.00 171.07 1.0000 0.0000 2.61097E-03 0.7000 0 1
4056 B 38.38500 386.00 171.04 1.0000 0.0000 2.59067E-03 0.7000 0 1
4057 B 38.39200 364.00 171.02 1.0000 0.0000 2.74725E-03 0.7002 0 1
4058 B 38.39900 360.00 170.99 1.0000 0.0000 2.77778E-03 0.7000 0 1
4059 B 38.40600 373.00 170.96 1.0000 0.0000 2.68097E-03 0.7000 0 1
4060 B 38.41300 371.00 170.93 1.0000 0.0000 2.69542E-03 0.7000 0 1
4061 B 38.42000 382.00 170.91 1.0000 0.0000 2.61780E-03 0.7000 0 1
4062 B 38.42700 403.00 170.88 1.0000 0.0000 2.48139E-03 0.7002 0 1
4063 B 38.43401 415.00 170.85 1.0000 0.0000 2.40964E-03 0.7000 0 1
4064 B 38.44100 437.00 170.82 1.0000 0.0000 2.28833E-03 0.7000 0 1
4065 B 38.44800 413.00 170.79 1.0000 0.0000 2.42131E-03 0.7000 0 1
4066 B 38.45500 407.00 170.77 1.0000 0.0000 2.45700E-03 0.7000 0 1
4067 B 38.46200 399.00 170.74 1.0000 0.0000 2.50627E-03 0.7002 0 1
4068 B 38.46901 409.00 170.71 1.0000 0.0000 2.44499E-03 0.7000 0 1
4069 B 38.47600 422.00 170.68 1.0000 0.0000 2.36967E-03 0.7000 0 1
4070 B 38.48300 436.00 170.66 1.0000 0.0000 2.29358E-03 0.7000 0 1
4071 B 38.49000 419.00 170.63 1.0000 0.0000 2.38663E-03 0.7000 0 1
4072 B 38.49700 427.00 170.60 1.0000 0.0000 2.34192E-03 0.7002 0 1
4073 B 38.50401 416.00 170.57 1.0000 0.0000 2.40385E-03 0.7000 0 1
4074 B 38.51100 394.00 170.55 1.0000 0.0000 2.53807E-03 0.7000 0 1
4075 B 38.51800 411.00 170.52 1.0000 0.0000 2.43309E-03 0.7000 0 1
4076 B 38.52500 410.00 170.49 1.0000 0.0000 2.43902E-03 0.7000 0 1
4077 B 38.53200 394.00 170.46 1.0000 0.0000 2.53807E-03 0.7002 0 1
4078 B 38.53901 431.00 170.44 1.0000 0.0000 2.32019E-03 0.7000 0 1
4079 B 38.54600 444.00 170.41 1.0000 0.0000 2.25225E-03 0.7000 0 1
4080 B 38.55300 453.00 170.38 1.0000 0.0000 2.20751E-03 0.7000 0 1
4081 B 38.56000 410.00 170.35 1.0000 0.0000 2.43902E-03 0.7000 0 1
4082 B 38.56700 416.00 170.33 1.0000 0.0000 2.40385E-03 0.7002 0 1
4083 B 38.57401 451.00 170.30 1.0000 0.0000 2.21729E-03 0.7000 0 1
4084 B 38.58100 469.00 170.27 1.0000 0.0000 2.13220E-03 0.7000 0 1
4085 B 38.58800 454.00 170.24 1.0000 0.0000 2.20264E-03 0.7000 0 1
4086 B 38.59500 448.00 170.22 1.0000 0.0000 2.23214E-03 0.7000 0 1
4087 B 38.60200 454.00 170.19 1.0000 0.0000 2.20264E-03 0.7002 0 1
4088 B 38.60900 448.00 170.16 1.0000 0.0000 2.23214E-03 0.7000 0 1
4089 B 38.61600 462.00 170.13 1.0000 0.0000 2.16450E-03 0.7000 0 1
4090 B 38.62300 493.00 170.11 1.0000 0.0000 2.02840E-03 0.7000 0 1
4091 B 38.63000 484.00 170.08 1.0000 0.0000 2.06612E-03 0.7000 0 1
4092 B 38.63700 477.00 170.05 1.0000 0.0000 2.09644E-03 0.7002 0 1
4093 B 38.64400 485.00 170.02 1.0000 0.0000 2.06186E-03 0.7000 0 1
4094 B 38.65100 495.00 170.00 1.0000 0.0000 2.02020E-03 0.7000 0 1
4095 B 38.65800 475.00 169.97 1.0000 0.0000 2.10526E-03 0.7000 0 1
4096 B 38.66500 469.00 169.94 1.0000 0.0000 2.13220E-03 0.7000 0 1
4097 B 38.67200 490.00 169.91 1.0000 0.0000 2.04082E-03 0.7002 0 1
4098 B 38.67900 465.00 169.89 1.0000 0.0000 2.15054E-03 0.7000 0 1
4099 B 38.68600 495.00 169.86 1.0000 0.0000 2.02020E-03 0.7000 0 1
4100 B 38.69300 505.00 169.83 1.0000 0.0000 1.98020E-03 0.7000 0 1
4101 B 38.70000 506.00 169.80 1.0000 0.0000 1.97628E-03 0.7000 0 1
4102 B 38.70700 500.00 169.78 1.0000 0.0000 2.00000E-03 0.7002 0 1
4103 B 38.71400 495.00 169.75 1.0000 0.0000 2.02020E-03 0.7000 0 1
4104 B 38.72100 500.00 169.72 1.0000 0.0000 2.00000E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 74
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4105 B 38.72800 514.00 169.69 1.0000 0.0000 1.94553E-03 0.7000 0 1
4106 B 38.73500 530.00 169.67 1.0000 0.0000 1.88679E-03 0.7000 0 1
4107 B 38.74200 516.00 169.64 1.0000 0.0000 1.93798E-03 0.7002 0 1
4108 B 38.74900 510.00 169.61 1.0000 0.0000 1.96078E-03 0.7000 0 1
4109 B 38.75600 508.00 169.58 1.0000 0.0000 1.96850E-03 0.7000 0 1
4110 B 38.76300 504.00 169.56 1.0000 0.0000 1.98413E-03 0.7000 0 1
4111 B 38.77000 511.00 169.53 1.0000 0.0000 1.95695E-03 0.7000 0 1
4112 B 38.77700 502.00 169.50 1.0000 0.0000 1.99203E-03 0.7002 0 1
4113 B 38.78400 516.00 169.48 1.0000 0.0000 1.93798E-03 0.7000 0 1
4114 B 38.79100 535.00 169.45 1.0000 0.0000 1.86916E-03 0.7000 0 1
4115 B 38.79800 499.00 169.42 1.0000 0.0000 2.00401E-03 0.7000 0 1
4116 B 38.80500 516.00 169.39 1.0000 0.0000 1.93798E-03 0.7000 0 1
4117 B 38.81200 527.00 169.37 1.0000 0.0000 1.89753E-03 0.7002 0 1
4118 B 38.81900 541.00 169.34 1.0000 0.0000 1.84843E-03 0.7000 0 1
4119 B 38.82600 560.00 169.31 1.0000 0.0000 1.78571E-03 0.7000 0 1
4120 B 38.83300 555.00 169.28 1.0000 0.0000 1.80180E-03 0.7000 0 1
4121 B 38.84000 558.00 169.26 1.0000 0.0000 1.79211E-03 0.7000 0 1
4122 B 38.84700 565.00 169.23 1.0000 0.0000 1.76991E-03 0.7002 0 1
4123 B 38.85400 491.00 169.20 1.0000 0.0000 2.03666E-03 0.7000 0 1
4124 B 38.86100 541.00 169.17 1.0000 0.0000 1.84843E-03 0.7000 0 1
4125 B 38.86800 589.00 169.15 1.0000 0.0000 1.69779E-03 0.7000 0 1
4126 B 38.87500 531.00 169.12 1.0000 0.0000 1.88324E-03 0.7000 0 1
4127 B 38.88200 538.00 169.09 1.0000 0.0000 1.85874E-03 0.7002 0 1
4128 B 38.88900 549.00 169.06 1.0000 0.0000 1.82149E-03 0.7000 0 1
4129 B 38.89600 549.00 169.04 1.0000 0.0000 1.82149E-03 0.7000 0 1
4130 B 38.90300 540.00 169.01 1.0000 0.0000 1.85185E-03 0.7000 0 1
4131 B 38.91000 552.00 168.98 1.0000 0.0000 1.81159E-03 0.7000 0 1
4132 B 38.91700 586.00 168.95 1.0000 0.0000 1.70648E-03 0.7002 0 1
4133 B 38.92400 560.00 168.93 1.0000 0.0000 1.78571E-03 0.7000 0 1
4134 B 38.93100 576.00 168.90 1.0000 0.0000 1.73611E-03 0.7000 0 1
4135 B 38.93800 561.00 168.87 1.0000 0.0000 1.78253E-03 0.7000 0 1
4136 B 38.94500 617.00 168.85 1.0000 0.0000 1.62075E-03 0.7000 0 1
4137 B 38.95200 570.00 168.82 1.0000 0.0000 1.75439E-03 0.7002 0 1
4138 B 38.95900 574.00 168.79 1.0000 0.0000 1.74216E-03 0.7000 0 1
4139 B 38.96600 582.00 168.76 1.0000 0.0000 1.71821E-03 0.7000 0 1
4140 B 38.97300 613.00 168.74 1.0000 0.0000 1.63132E-03 0.7000 0 1
4141 B 38.98000 581.00 168.71 1.0000 0.0000 1.72117E-03 0.7000 0 1
4142 B 38.98700 567.00 168.68 1.0000 0.0000 1.76367E-03 0.7002 0 1
4143 B 38.99400 611.00 168.65 1.0000 0.0000 1.63666E-03 0.7000 0 1
4144 B 39.00100 575.00 168.63 1.0000 0.0000 1.73913E-03 0.7000 0 1
4145 B 39.00800 603.00 168.60 1.0000 0.0000 1.65837E-03 0.7000 0 1
4146 B 39.01500 611.00 168.57 1.0000 0.0000 1.63666E-03 0.7000 0 1
4147 B 39.02200 620.00 168.54 1.0000 0.0000 1.61290E-03 0.7002 0 1
4148 B 39.02900 624.00 168.52 1.0000 0.0000 1.60256E-03 0.7000 0 1
4149 B 39.03600 614.00 168.49 1.0000 0.0000 1.62866E-03 0.7000 0 1
4150 B 39.04300 613.00 168.46 1.0000 0.0000 1.63132E-03 0.7000 0 1
4151 B 39.05000 604.00 168.44 1.0000 0.0000 1.65563E-03 0.7000 0 1
4152 B 39.05700 627.00 168.41 1.0000 0.0000 1.59490E-03 0.7002 0 1
4153 B 39.06400 639.00 168.38 1.0000 0.0000 1.56495E-03 0.7000 0 1
4154 B 39.07100 617.00 168.35 1.0000 0.0000 1.62075E-03 0.7000 0 1
4155 B 39.07800 608.00 168.33 1.0000 0.0000 1.64474E-03 0.7000 0 1
4156 B 39.08500 625.00 168.30 1.0000 0.0000 1.60000E-03 0.7000 0 1
4157 B 39.09200 632.00 168.27 1.0000 0.0000 1.58228E-03 0.7002 0 1
4158 B 39.09900 653.00 168.24 1.0000 0.0000 1.53139E-03 0.7000 0 1
4159 B 39.10600 619.00 168.22 1.0000 0.0000 1.61551E-03 0.7000 0 1
4160 B 39.11300 632.00 168.19 1.0000 0.0000 1.58228E-03 0.7000 0 1
4161 B 39.12000 626.00 168.16 1.0000 0.0000 1.59744E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 75
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4162 B 39.12700 678.00 168.14 1.0000 0.0000 1.47493E-03 0.7002 0 1
4163 B 39.13400 654.00 168.11 1.0000 0.0000 1.52905E-03 0.7000 0 1
4164 B 39.14100 621.00 168.08 1.0000 0.0000 1.61031E-03 0.7000 0 1
4165 B 39.14800 658.00 168.05 1.0000 0.0000 1.51976E-03 0.7000 0 1
4166 B 39.15500 677.00 168.03 1.0000 0.0000 1.47710E-03 0.7000 0 1
4167 B 39.16200 624.00 168.00 1.0000 0.0000 1.60256E-03 0.7002 0 1
4168 B 39.16900 602.00 167.97 1.0000 0.0000 1.66113E-03 0.7000 0 1
4169 B 39.17600 640.00 167.94 1.0000 0.0000 1.56250E-03 0.7000 0 1
4170 B 39.18300 623.00 167.92 1.0000 0.0000 1.60514E-03 0.7000 0 1
4171 B 39.19000 629.00 167.89 1.0000 0.0000 1.58983E-03 0.7000 0 1
4172 B 39.19700 619.00 167.86 1.0000 0.0000 1.61551E-03 0.7002 0 1
4173 B 39.20400 671.00 167.84 1.0000 0.0000 1.49031E-03 0.7000 0 1
4174 B 39.21100 634.00 167.81 1.0000 0.0000 1.57729E-03 0.7000 0 1
4175 B 39.21800 636.00 167.78 1.0000 0.0000 1.57233E-03 0.7000 0 1
4176 B 39.22500 647.00 167.75 1.0000 0.0000 1.54560E-03 0.7000 0 1
4177 B 39.23200 660.00 167.73 1.0000 0.0000 1.51515E-03 0.7002 0 1
4178 B 39.23900 646.00 167.70 1.0000 0.0000 1.54799E-03 0.7000 0 1
4179 B 39.24600 663.00 167.67 1.0000 0.0000 1.50830E-03 0.7000 0 1
4180 B 39.25300 668.00 167.65 1.0000 0.0000 1.49701E-03 0.7000 0 1
4181 B 39.26000 654.00 167.62 1.0000 0.0000 1.52905E-03 0.7000 0 1
4182 B 39.26700 656.00 167.59 1.0000 0.0000 1.52439E-03 0.7002 0 1
4183 B 39.27400 651.00 167.56 1.0000 0.0000 1.53610E-03 0.7000 0 1
4184 B 39.28100 685.00 167.54 1.0000 0.0000 1.45985E-03 0.7000 0 1
4185 B 39.28800 715.00 167.51 1.0000 0.0000 1.39860E-03 0.7000 0 1
4186 B 39.29500 654.00 167.48 1.0000 0.0000 1.52905E-03 0.7000 0 1
4187 B 39.30200 665.00 167.45 1.0000 0.0000 1.50376E-03 0.7002 0 1
4188 B 39.30901 662.00 167.43 1.0000 0.0000 1.51057E-03 0.7000 0 1
4189 B 39.31600 692.00 167.40 1.0000 0.0000 1.44509E-03 0.7000 0 1
4190 B 39.32300 691.00 167.37 1.0000 0.0000 1.44718E-03 0.7000 0 1
4191 B 39.33000 721.00 167.35 1.0000 0.0000 1.38696E-03 0.7000 0 1
4192 B 39.33700 683.00 167.32 1.0000 0.0000 1.46413E-03 0.7002 0 1
4193 B 39.34401 700.00 167.29 1.0000 0.0000 1.42857E-03 0.7000 0 1
4194 B 39.35100 706.00 167.26 1.0000 0.0000 1.41643E-03 0.7000 0 1
4195 . 39.35800 687.00 175.39 1.0000 0.0000 1.45560E-03 0.7000 11 1
4196 . 39.36500 689.00 176.14 1.0000 0.0000 1.45138E-03 0.7000 11 1
4197 . 39.37200 742.00 177.01 1.0000 0.0000 1.34771E-03 0.7002 11 1
4198 . 39.37901 734.00 178.01 1.0000 0.0000 1.36240E-03 0.7000 11 1
4199 . 39.38600 684.00 179.19 1.0000 0.0000 1.46199E-03 0.7000 11 1
4200 . 39.39300 703.00 180.57 1.0000 0.0000 1.42248E-03 0.7000 11 1
4201 . 39.40000 757.00 182.23 1.0000 0.0000 1.32100E-03 0.7000 11 1
4202 . 39.40700 661.00 184.27 1.0000 0.0000 1.51286E-03 0.7002 11 1
4203 . 39.41401 666.00 186.90 1.0000 0.0000 1.50150E-03 0.7000 11 1
4204 . 39.42100 716.00 190.54 1.0000 0.0000 1.39665E-03 0.7000 11 1
4205 . 39.42800 708.00 196.05 1.0000 0.0000 1.41243E-03 0.7000 11 1
4206 . 39.43500 698.00 205.09 1.0000 0.0000 1.43266E-03 0.7000 11 1
4207 . 39.44200 689.00 220.57 1.0000 0.0000 1.45138E-03 0.7002 11 1
4208 . 39.44901 689.00 247.15 1.0000 0.0000 1.45138E-03 0.7000 11 1
4209 . 39.45600 726.00 294.94 1.0000 0.0000 1.37741E-03 0.7000 11 2
4210 . 39.46300 707.00 363.74 1.0000 0.0000 1.41443E-03 0.7000 11 2
4211 . 39.47000 720.00 462.80 1.0000 0.0000 1.38889E-03 0.7000 11 2
4212 . 39.47700 703.00 593.51 1.0000 0.0000 1.42248E-03 0.7002 11 2
4213 . 39.48400 739.00 749.41 1.0000 0.0000 1.35318E-03 0.7000 11 2
4214 . 39.49100 682.00 913.60 1.0000 0.0000 1.46628E-03 0.7000 11 2
4215 . 39.49800 721.00 1059.5 1.0000 0.0000 1.38696E-03 0.7000 11 2
4216 .1 39.50500 722.00 1153.7 1.0000 0.0000 1.38504E-03 0.7000 11 2
4217 . 39.51200 712.00 1168.3 1.0000 0.0000 1.40449E-03 0.7002 11 2
4218 . 39.51900 720.00 1098.9 1.0000 0.0000 1.38889E-03 0.7000 11 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 76
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4219 . 39.52600 676.00 968.39 1.0000 0.0000 1.47929E-03 0.7000 11 2
4220 . 39.53300 715.00 810.57 1.0000 0.0000 1.39860E-03 0.7000 11 2
4221 . 39.54000 718.00 656.35 1.0000 0.0000 1.39276E-03 0.7000 11 2
4222 . 39.54700 720.00 527.29 1.0000 0.0000 1.38889E-03 0.7002 11 2
4223 . 39.55400 717.00 435.65 1.0000 0.0000 1.39470E-03 0.7000 11 2
4224 . 39.56100 703.00 385.80 1.0000 0.0000 1.42248E-03 0.7000 11 2
4225 . 39.56800 693.00 376.24 1.0000 0.0000 1.44300E-03 0.7000 11 2
4226 . 39.57500 691.00 401.98 1.0000 0.0000 1.44718E-03 0.7000 11 2
4227 . 39.58200 706.00 455.21 1.0000 0.0000 1.41643E-03 0.7002 11 2
4228 . 39.58900 687.00 525.16 1.0000 0.0000 1.45560E-03 0.7000 11 2
4229 . 39.59600 695.00 597.42 1.0000 0.0000 1.43885E-03 0.7000 11 2
4230 . 39.60300 680.00 654.74 1.0000 0.0000 1.47059E-03 0.7000 11 2
4231 .1 39.61000 708.00 679.66 1.0000 0.0000 1.41243E-03 0.7000 11 2
4232 . 39.61700 745.00 662.64 1.0000 0.0000 1.34228E-03 0.7002 11 2
4233 . 39.62400 731.00 608.32 1.0000 0.0000 1.36799E-03 0.7000 11 2
4234 . 39.63100 706.00 531.74 1.0000 0.0000 1.41643E-03 0.7000 11 2
4235 . 39.63800 687.00 449.01 1.0000 0.0000 1.45560E-03 0.7000 11 2
4236 . 39.64500 749.00 372.62 1.0000 0.0000 1.33511E-03 0.7000 11 2
4237 . 39.65200 692.00 309.74 1.0000 0.0000 1.44509E-03 0.7002 11 2
4238 . 39.65900 700.00 262.77 1.0000 0.0000 1.42857E-03 0.7000 11 2
4239 . 39.66600 679.00 222.89 1.0000 0.0000 1.47275E-03 0.7000 12 1
4240 . 39.67300 686.00 202.90 1.0000 0.0000 1.45773E-03 0.7000 12 1
4241 . 39.68000 701.00 190.90 1.0000 0.0000 1.42653E-03 0.7000 12 1
4242 . 39.68700 705.00 183.91 1.0000 0.0000 1.41844E-03 0.7002 12 1
4243 . 39.69400 696.00 179.79 1.0000 0.0000 1.43678E-03 0.7000 12 1
4244 . 39.70100 696.00 177.23 1.0000 0.0000 1.43678E-03 0.7000 12 1
4245 . 39.70800 706.00 175.50 1.0000 0.0000 1.41643E-03 0.7000 12 1
4246 . 39.71500 702.00 174.22 1.0000 0.0000 1.42450E-03 0.7000 12 1
4247 . 39.72200 662.00 173.20 1.0000 0.0000 1.51057E-03 0.7002 12 1
4248 . 39.72900 696.00 172.36 1.0000 0.0000 1.43678E-03 0.7000 12 1
4249 . 39.73600 692.00 171.66 1.0000 0.0000 1.44509E-03 0.7000 12 1
4250 . 39.74300 709.00 171.05 1.0000 0.0000 1.41044E-03 0.7000 12 1
4251 . 39.75000 704.00 170.52 1.0000 0.0000 1.42045E-03 0.7000 12 1
4252 . 39.75700 698.00 170.06 1.0000 0.0000 1.43266E-03 0.7002 12 1
4253 B 39.76400 656.00 165.67 1.0000 0.0000 1.52439E-03 0.7000 0 1
4254 B 39.77100 697.00 165.64 1.0000 0.0000 1.43472E-03 0.7000 0 1
4255 B 39.77800 713.00 165.61 1.0000 0.0000 1.40252E-03 0.7000 0 1
4256 B 39.78500 692.00 165.59 1.0000 0.0000 1.44509E-03 0.7000 0 1
4257 B 39.79200 697.00 165.56 1.0000 0.0000 1.43472E-03 0.7002 0 1
4258 B 39.79900 673.00 165.53 1.0000 0.0000 1.48588E-03 0.7000 0 1
4259 B 39.80600 625.00 165.50 1.0000 0.0000 1.60000E-03 0.7000 0 1
4260 B 39.81300 732.00 165.48 1.0000 0.0000 1.36612E-03 0.7000 0 1
4261 B 39.82000 659.00 165.45 1.0000 0.0000 1.51745E-03 0.7000 0 1
4262 B 39.82700 696.00 165.42 1.0000 0.0000 1.43678E-03 0.7002 0 1
4263 B 39.83400 696.00 165.40 1.0000 0.0000 1.43678E-03 0.7000 0 1
4264 B 39.84100 661.00 165.37 1.0000 0.0000 1.51286E-03 0.7000 0 1
4265 B 39.84800 679.00 165.34 1.0000 0.0000 1.47275E-03 0.7000 0 1
4266 B 39.85500 658.00 165.32 1.0000 0.0000 1.51976E-03 0.7000 0 1
4267 B 39.86200 636.00 165.29 1.0000 0.0000 1.57233E-03 0.7002 0 1
4268 B 39.86900 630.00 165.26 1.0000 0.0000 1.58730E-03 0.7000 0 1
4269 B 39.87600 663.00 165.24 1.0000 0.0000 1.50830E-03 0.7000 0 1
4270 B 39.88300 698.00 165.21 1.0000 0.0000 1.43266E-03 0.7000 0 1
4271 B 39.89000 694.00 165.18 1.0000 0.0000 1.44092E-03 0.7000 0 1
4272 B 39.89700 661.00 165.15 1.0000 0.0000 1.51286E-03 0.7002 0 1
4273 B 39.90400 658.00 165.13 1.0000 0.0000 1.51976E-03 0.7000 0 1
4274 B 39.91100 668.00 165.10 1.0000 0.0000 1.49701E-03 0.7000 0 1
4275 B 39.91800 628.00 165.07 1.0000 0.0000 1.59236E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 77
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4276 B 39.92500 660.00 165.05 1.0000 0.0000 1.51515E-03 0.7000 0 1
4277 B 39.93200 660.00 165.02 1.0000 0.0000 1.51515E-03 0.7002 0 1
4278 B 39.93900 648.00 164.99 1.0000 0.0000 1.54321E-03 0.7000 0 1
4279 B 39.94600 643.00 164.97 1.0000 0.0000 1.55521E-03 0.7000 0 1
4280 B 39.95300 620.00 164.94 1.0000 0.0000 1.61290E-03 0.7000 0 1
4281 B 39.96000 667.00 164.91 1.0000 0.0000 1.49925E-03 0.7000 0 1
4282 B 39.96700 631.00 164.89 1.0000 0.0000 1.58479E-03 0.7002 0 1
4283 B 39.97400 632.00 164.86 1.0000 0.0000 1.58228E-03 0.7000 0 1
4284 B 39.98100 650.00 164.83 1.0000 0.0000 1.53846E-03 0.7000 0 1
4285 B 39.98800 654.00 164.80 1.0000 0.0000 1.52905E-03 0.7000 0 1
4286 B 39.99500 635.00 164.78 1.0000 0.0000 1.57480E-03 0.7000 0 1
4287 B 40.00200 644.00 164.75 1.0000 0.0000 1.55280E-03 0.7002 0 1
4288 B 40.00900 651.00 164.72 1.0000 0.0000 1.53610E-03 0.7000 0 1
4289 B 40.01600 654.00 164.70 1.0000 0.0000 1.52905E-03 0.7000 0 1
4290 B 40.02300 612.00 164.67 1.0000 0.0000 1.63399E-03 0.7000 0 1
4291 B 40.03000 618.00 164.64 1.0000 0.0000 1.61812E-03 0.7000 0 1
4292 B 40.03700 662.00 164.62 1.0000 0.0000 1.51057E-03 0.7002 0 1
4293 B 40.04400 651.00 164.59 1.0000 0.0000 1.53610E-03 0.7000 0 1
4294 B 40.05100 624.00 164.56 1.0000 0.0000 1.60256E-03 0.7000 0 1
4295 B 40.05800 632.00 164.54 1.0000 0.0000 1.58228E-03 0.7000 0 1
4296 B 40.06500 660.00 164.51 1.0000 0.0000 1.51515E-03 0.7000 0 1
4297 B 40.07200 623.00 164.48 1.0000 0.0000 1.60514E-03 0.7002 0 1
4298 B 40.07900 636.00 164.46 1.0000 0.0000 1.57233E-03 0.7000 0 1
4299 B 40.08600 649.00 164.43 1.0000 0.0000 1.54083E-03 0.7000 0 1
4300 B 40.09300 626.00 164.40 1.0000 0.0000 1.59744E-03 0.7000 0 1
4301 B 40.10000 615.00 164.37 1.0000 0.0000 1.62602E-03 0.7000 0 1
4302 B 40.10700 639.00 164.35 1.0000 0.0000 1.56495E-03 0.7002 0 1
4303 B 40.11400 621.00 164.32 1.0000 0.0000 1.61031E-03 0.7000 0 1
4304 B 40.12100 583.00 164.29 1.0000 0.0000 1.71527E-03 0.7000 0 1
4305 B 40.12800 598.00 164.27 1.0000 0.0000 1.67224E-03 0.7000 0 1
4306 B 40.13500 622.00 164.24 1.0000 0.0000 1.60772E-03 0.7000 0 1
4307 B 40.14200 595.00 164.21 1.0000 0.0000 1.68067E-03 0.7002 0 1
4308 B 40.14900 627.00 164.19 1.0000 0.0000 1.59490E-03 0.7000 0 1
4309 B 40.15600 593.00 164.16 1.0000 0.0000 1.68634E-03 0.7000 0 1
4310 B 40.16300 547.00 164.13 1.0000 0.0000 1.82815E-03 0.7000 0 1
4311 B 40.17000 591.00 164.11 1.0000 0.0000 1.69205E-03 0.7000 0 1
4312 B 40.17700 620.00 164.08 1.0000 0.0000 1.61290E-03 0.7002 0 1
4313 B 40.18401 579.00 164.05 1.0000 0.0000 1.72712E-03 0.7000 0 1
4314 B 40.19100 577.00 164.03 1.0000 0.0000 1.73310E-03 0.7000 0 1
4315 B 40.19800 596.00 164.00 1.0000 0.0000 1.67785E-03 0.7000 0 1
4316 B 40.20500 600.00 163.97 1.0000 0.0000 1.66667E-03 0.7000 0 1
4317 B 40.21200 564.00 163.95 1.0000 0.0000 1.77305E-03 0.7002 0 1
4318 B 40.21901 553.00 163.92 1.0000 0.0000 1.80832E-03 0.7000 0 1
4319 B 40.22600 563.00 163.89 1.0000 0.0000 1.77620E-03 0.7000 0 1
4320 B 40.23300 522.00 163.87 1.0000 0.0000 1.91571E-03 0.7000 0 1
4321 B 40.24000 553.00 163.84 1.0000 0.0000 1.80832E-03 0.7000 0 1
4322 B 40.24700 556.00 163.81 1.0000 0.0000 1.79856E-03 0.7002 0 1
4323 B 40.25401 539.00 163.78 1.0000 0.0000 1.85529E-03 0.7000 0 1
4324 B 40.26100 561.00 163.76 1.0000 0.0000 1.78253E-03 0.7000 0 1
4325 B 40.26800 565.00 163.73 1.0000 0.0000 1.76991E-03 0.7000 0 1
4326 B 40.27500 525.00 163.70 1.0000 0.0000 1.90476E-03 0.7000 0 1
4327 B 40.28200 528.00 163.68 1.0000 0.0000 1.89394E-03 0.7002 0 1
4328 B 40.28901 528.00 163.65 1.0000 0.0000 1.89394E-03 0.7000 0 1
4329 B 40.29600 541.00 163.62 1.0000 0.0000 1.84843E-03 0.7000 0 1
4330 B 40.30300 556.00 163.60 1.0000 0.0000 1.79856E-03 0.7000 0 1
4331 B 40.31000 526.00 163.57 1.0000 0.0000 1.90114E-03 0.7000 0 1
4332 B 40.31700 520.00 163.54 1.0000 0.0000 1.92308E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 78
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4333 B 40.32401 537.00 163.52 1.0000 0.0000 1.86220E-03 0.7000 0 1
4334 B 40.33100 530.00 163.49 1.0000 0.0000 1.88679E-03 0.7000 0 1
4335 B 40.33800 552.00 163.46 1.0000 0.0000 1.81159E-03 0.7000 0 1
4336 B 40.34500 509.00 163.44 1.0000 0.0000 1.96464E-03 0.7000 0 1
4337 B 40.35200 526.00 163.41 1.0000 0.0000 1.90114E-03 0.7002 0 1
4338 B 40.35900 509.00 163.38 1.0000 0.0000 1.96464E-03 0.7000 0 1
4339 B 40.36600 539.00 163.36 1.0000 0.0000 1.85529E-03 0.7000 0 1
4340 B 40.37300 556.00 163.33 1.0000 0.0000 1.79856E-03 0.7000 0 1
4341 B 40.38000 498.00 163.30 1.0000 0.0000 2.00803E-03 0.7000 0 1
4342 B 40.38700 509.00 163.28 1.0000 0.0000 1.96464E-03 0.7002 0 1
4343 B 40.39400 508.00 163.25 1.0000 0.0000 1.96850E-03 0.7000 0 1
4344 B 40.40100 500.00 163.22 1.0000 0.0000 2.00000E-03 0.7000 0 1
4345 B 40.40800 502.00 163.20 1.0000 0.0000 1.99203E-03 0.7000 0 1
4346 B 40.41500 496.00 163.17 1.0000 0.0000 2.01613E-03 0.7000 0 1
4347 B 40.42200 488.00 163.14 1.0000 0.0000 2.04918E-03 0.7002 0 1
4348 B 40.42900 485.00 163.12 1.0000 0.0000 2.06186E-03 0.7000 0 1
4349 B 40.43600 468.00 163.09 1.0000 0.0000 2.13675E-03 0.7000 0 1
4350 B 40.44300 455.00 163.06 1.0000 0.0000 2.19780E-03 0.7000 0 1
4351 B 40.45000 484.00 163.04 1.0000 0.0000 2.06612E-03 0.7000 0 1
4352 B 40.45700 501.00 163.01 1.0000 0.0000 1.99601E-03 0.7002 0 1
4353 B 40.46400 498.00 162.98 1.0000 0.0000 2.00803E-03 0.7000 0 1
4354 B 40.47100 503.00 162.96 1.0000 0.0000 1.98807E-03 0.7000 0 1
4355 B 40.47800 467.00 162.93 1.0000 0.0000 2.14133E-03 0.7000 0 1
4356 B 40.48500 482.00 162.90 1.0000 0.0000 2.07469E-03 0.7000 0 1
4357 B 40.49200 484.00 162.88 1.0000 0.0000 2.06612E-03 0.7002 0 1
4358 B 40.49900 489.00 162.85 1.0000 0.0000 2.04499E-03 0.7000 0 1
4359 B 40.50600 457.00 162.82 1.0000 0.0000 2.18818E-03 0.7000 0 1
4360 B 40.51300 482.00 162.80 1.0000 0.0000 2.07469E-03 0.7000 0 1
4361 B 40.52000 457.00 162.77 1.0000 0.0000 2.18818E-03 0.7000 0 1
4362 B 40.52700 449.00 162.74 1.0000 0.0000 2.22717E-03 0.7002 0 1
4363 B 40.53400 445.00 162.72 1.0000 0.0000 2.24719E-03 0.7000 0 1
4364 B 40.54100 457.00 162.69 1.0000 0.0000 2.18818E-03 0.7000 0 1
4365 B 40.54800 443.00 162.66 1.0000 0.0000 2.25734E-03 0.7000 0 1
4366 B 40.55500 444.00 162.64 1.0000 0.0000 2.25225E-03 0.7000 0 1
4367 B 40.56200 453.00 162.61 1.0000 0.0000 2.20751E-03 0.7002 0 1
4368 B 40.56900 466.00 162.58 1.0000 0.0000 2.14592E-03 0.7000 0 1
4369 B 40.57600 444.00 162.56 1.0000 0.0000 2.25225E-03 0.7000 0 1
4370 B 40.58300 430.00 162.53 1.0000 0.0000 2.32558E-03 0.7000 0 1
4371 B 40.59000 434.00 162.50 1.0000 0.0000 2.30415E-03 0.7000 0 1
4372 B 40.59700 424.00 162.48 1.0000 0.0000 2.35849E-03 0.7002 0 1
4373 B 40.60400 415.00 162.45 1.0000 0.0000 2.40964E-03 0.7000 0 1
4374 B 40.61100 419.00 162.42 1.0000 0.0000 2.38663E-03 0.7000 0 1
4375 B 40.61800 434.00 162.40 1.0000 0.0000 2.30415E-03 0.7000 0 1
4376 B 40.62500 413.00 162.37 1.0000 0.0000 2.42131E-03 0.7000 0 1
4377 B 40.63200 427.00 162.34 1.0000 0.0000 2.34192E-03 0.7002 0 1
4378 B 40.63900 428.00 162.32 1.0000 0.0000 2.33645E-03 0.7000 0 1
4379 B 40.64600 433.00 162.29 1.0000 0.0000 2.30947E-03 0.7000 0 1
4380 B 40.65300 414.00 162.26 1.0000 0.0000 2.41546E-03 0.7000 0 1
4381 B 40.66000 425.00 162.24 1.0000 0.0000 2.35294E-03 0.7000 0 1
4382 B 40.66700 420.00 162.21 1.0000 0.0000 2.38095E-03 0.7002 0 1
4383 B 40.67400 427.00 162.18 1.0000 0.0000 2.34192E-03 0.7000 0 1
4384 B 40.68100 420.00 162.16 1.0000 0.0000 2.38095E-03 0.7000 0 1
4385 B 40.68800 404.00 162.13 1.0000 0.0000 2.47525E-03 0.7000 0 1
4386 B 40.69500 426.00 162.10 1.0000 0.0000 2.34742E-03 0.7000 0 1
4387 B 40.70200 412.00 162.08 1.0000 0.0000 2.42718E-03 0.7002 0 1
4388 B 40.70900 405.00 162.05 1.0000 0.0000 2.46914E-03 0.7000 0 1
4389 B 40.71600 405.00 162.02 1.0000 0.0000 2.46914E-03 0.7000 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 79
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4390 B 40.72300 433.00 162.00 1.0000 0.0000 2.30947E-03 0.7000 0 1
4391 B 40.73000 406.00 161.97 1.0000 0.0000 2.46305E-03 0.7000 0 1
4392 B 40.73700 407.00 161.94 1.0000 0.0000 2.45700E-03 0.7002 0 1
4393 B 40.74400 385.00 161.92 1.0000 0.0000 2.59740E-03 0.7000 0 1
4394 B 40.75100 373.00 161.89 1.0000 0.0000 2.68097E-03 0.7000 0 1
4395 B 40.75800 382.00 161.87 1.0000 0.0000 2.61780E-03 0.7000 0 1
4396 B 40.76500 391.00 161.84 1.0000 0.0000 2.55754E-03 0.7000 0 1
4397 B 40.77200 396.00 161.81 1.0000 0.0000 2.52525E-03 0.7002 0 1
4398 B 40.77900 378.00 161.79 1.0000 0.0000 2.64550E-03 0.7000 0 1
4399 B 40.78600 370.00 161.76 1.0000 0.0000 2.70270E-03 0.7000 0 1
4400 B 40.79300 366.00 161.73 1.0000 0.0000 2.73224E-03 0.7000 0 1
4401 B 40.80000 395.00 161.71 1.0000 0.0000 2.53165E-03 0.7000 0 1
4402 B 40.80700 362.00 161.68 1.0000 0.0000 2.76243E-03 0.7002 0 1
4403 B 40.81400 365.00 161.65 1.0000 0.0000 2.73973E-03 0.7000 0 1
4404 B 40.82100 382.00 161.63 1.0000 0.0000 2.61780E-03 0.7000 0 1
4405 B 40.82800 370.00 161.60 1.0000 0.0000 2.70270E-03 0.7000 0 1
4406 B 40.83500 371.00 161.57 1.0000 0.0000 2.69542E-03 0.7000 0 1
4407 B 40.84200 382.00 161.55 1.0000 0.0000 2.61780E-03 0.7002 0 1
4408 B 40.84900 379.00 161.52 1.0000 0.0000 2.63852E-03 0.7000 0 1
4409 B 40.85600 379.00 161.49 1.0000 0.0000 2.63852E-03 0.7000 0 1
4410 B 40.86300 399.00 161.47 1.0000 0.0000 2.50627E-03 0.7000 0 1
4411 B 40.87000 366.00 161.44 1.0000 0.0000 2.73224E-03 0.7000 0 1
4412 B 40.87700 376.00 161.41 1.0000 0.0000 2.65957E-03 0.7002 0 1
4413 B 40.88400 358.00 161.39 1.0000 0.0000 2.79330E-03 0.7000 0 1
4414 B 40.89100 360.00 161.36 1.0000 0.0000 2.77778E-03 0.7000 0 1
4415 B 40.89800 374.00 161.33 1.0000 0.0000 2.67380E-03 0.7000 0 1
4416 B 40.90500 326.00 161.31 1.0000 0.0000 3.06748E-03 0.7000 0 1
4417 B 40.91200 354.00 161.28 1.0000 0.0000 2.82486E-03 0.7002 0 1
4418 B 40.91900 357.00 161.26 1.0000 0.0000 2.80112E-03 0.7000 0 1
4419 B 40.92600 346.00 161.23 1.0000 0.0000 2.89017E-03 0.7000 0 1
4420 B 40.93300 358.00 161.20 1.0000 0.0000 2.79330E-03 0.7000 0 1
4421 B 40.94000 330.00 161.18 1.0000 0.0000 3.03030E-03 0.7000 0 1
4422 B 40.94700 344.00 161.15 1.0000 0.0000 2.90698E-03 0.7002 0 1
4423 B 40.95400 357.00 161.12 1.0000 0.0000 2.80112E-03 0.7000 0 1
4424 B 40.96100 339.00 161.10 1.0000 0.0000 2.94985E-03 0.7002 0 1
4425 B 40.96800 341.00 161.07 1.0000 0.0000 2.93255E-03 0.6997 0 1
4426 B 40.97500 329.00 161.04 1.0000 0.0000 3.03951E-03 0.7002 0 1
4427 B 40.98200 343.00 161.02 1.0000 0.0000 2.91545E-03 0.6997 0 1
4428 B 40.98900 351.00 160.99 1.0000 0.0000 2.84900E-03 0.7002 0 1
4429 B 40.99600 319.00 160.96 1.0000 0.0000 3.13480E-03 0.7002 0 1
4430 B 41.00300 329.00 160.94 1.0000 0.0000 3.03951E-03 0.6997 0 1
4431 B 41.01000 357.00 160.91 1.0000 0.0000 2.80112E-03 0.7002 0 1
4432 B 41.01700 325.00 160.88 1.0000 0.0000 3.07692E-03 0.6997 0 1
4433 B 41.02400 288.00 160.86 1.0000 0.0000 3.47222E-03 0.7002 0 1
4434 B 41.03100 318.00 160.83 1.0000 0.0000 3.14465E-03 0.7002 0 1
4435 B 41.03800 341.00 160.81 1.0000 0.0000 2.93255E-03 0.6997 0 1
4436 B 41.04500 318.00 160.78 1.0000 0.0000 3.14465E-03 0.7002 0 1
4437 B 41.05200 303.00 160.75 1.0000 0.0000 3.30033E-03 0.6997 0 1
4438 B 41.05900 327.00 160.73 1.0000 0.0000 3.05810E-03 0.7002 0 1
4439 B 41.06600 297.00 160.70 1.0000 0.0000 3.36700E-03 0.7002 0 1
4440 B 41.07300 301.00 160.67 1.0000 0.0000 3.32226E-03 0.6997 0 1
4441 B 41.08000 332.00 160.65 1.0000 0.0000 3.01205E-03 0.7002 0 1
4442 B 41.08700 326.00 160.62 1.0000 0.0000 3.06748E-03 0.6997 0 1
4443 B 41.09400 278.00 160.59 1.0000 0.0000 3.59712E-03 0.7002 0 1
4444 B 41.10100 303.00 160.57 1.0000 0.0000 3.30033E-03 0.7002 0 1
4445 B 41.10800 302.00 160.54 1.0000 0.0000 3.31126E-03 0.6997 0 1
4446 B 41.11500 296.00 160.51 1.0000 0.0000 3.37838E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 80
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4447 B 41.12200 290.00 160.49 1.0000 0.0000 3.44828E-03 0.6997 0 1
4448 B 41.12900 265.00 160.46 1.0000 0.0000 3.77358E-03 0.7002 0 1
4449 B 41.13600 276.00 160.44 1.0000 0.0000 3.62319E-03 0.7002 0 1
4450 B 41.14300 293.00 160.41 1.0000 0.0000 3.41297E-03 0.6997 0 1
4451 B 41.15000 294.00 160.38 1.0000 0.0000 3.40136E-03 0.7002 0 1
4452 B 41.15700 269.00 160.36 1.0000 0.0000 3.71747E-03 0.6997 0 1
4453 B 41.16400 281.00 160.33 1.0000 0.0000 3.55872E-03 0.7002 0 1
4454 B 41.17100 291.00 160.30 1.0000 0.0000 3.43643E-03 0.7002 0 1
4455 B 41.17800 275.00 160.28 1.0000 0.0000 3.63636E-03 0.6997 0 1
4456 B 41.18500 305.00 160.25 1.0000 0.0000 3.27869E-03 0.7002 0 1
4457 B 41.19200 291.00 160.22 1.0000 0.0000 3.43643E-03 0.6997 0 1
4458 B 41.19900 288.00 160.20 1.0000 0.0000 3.47222E-03 0.7002 0 1
4459 B 41.20600 288.00 160.17 1.0000 0.0000 3.47222E-03 0.7002 0 1
4460 B 41.21300 265.00 160.15 1.0000 0.0000 3.77358E-03 0.6997 0 1
4461 B 41.22000 263.00 160.12 1.0000 0.0000 3.80228E-03 0.7002 0 1
4462 B 41.22700 257.00 160.09 1.0000 0.0000 3.89105E-03 0.6997 0 1
4463 B 41.23400 272.00 160.07 1.0000 0.0000 3.67647E-03 0.7002 0 1
4464 B 41.24100 286.00 160.04 1.0000 0.0000 3.49650E-03 0.7002 0 1
4465 B 41.24800 297.00 160.01 1.0000 0.0000 3.36700E-03 0.6997 0 1
4466 B 41.25500 275.00 159.99 1.0000 0.0000 3.63636E-03 0.7002 0 1
4467 B 41.26200 280.00 159.96 1.0000 0.0000 3.57143E-03 0.6997 0 1
4468 B 41.26900 280.00 159.93 1.0000 0.0000 3.57143E-03 0.7002 0 1
4469 B 41.27600 265.00 159.91 1.0000 0.0000 3.77358E-03 0.7002 0 1
4470 B 41.28300 272.00 159.88 1.0000 0.0000 3.67647E-03 0.6997 0 1
4471 B 41.29000 281.00 159.86 1.0000 0.0000 3.55872E-03 0.7002 0 1
4472 B 41.29700 281.00 159.83 1.0000 0.0000 3.55872E-03 0.6997 0 1
4473 B 41.30400 277.00 159.80 1.0000 0.0000 3.61011E-03 0.7002 0 1
4474 B 41.31100 274.00 159.78 1.0000 0.0000 3.64964E-03 0.7002 0 1
4475 B 41.31800 279.00 159.75 1.0000 0.0000 3.58423E-03 0.6997 0 1
4476 B 41.32500 254.00 159.72 1.0000 0.0000 3.93701E-03 0.7002 0 1
4477 B 41.33200 263.00 159.70 1.0000 0.0000 3.80228E-03 0.6997 0 1
4478 B 41.33900 249.00 159.67 1.0000 0.0000 4.01606E-03 0.7002 0 1
4479 B 41.34600 251.00 159.65 1.0000 0.0000 3.98406E-03 0.7002 0 1
4480 B 41.35300 248.00 159.62 1.0000 0.0000 4.03226E-03 0.6997 0 1
4481 B 41.36000 274.00 159.59 1.0000 0.0000 3.64964E-03 0.7002 0 1
4482 B 41.36700 251.00 159.57 1.0000 0.0000 3.98406E-03 0.6997 0 1
4483 B 41.37400 248.00 159.54 1.0000 0.0000 4.03226E-03 0.7002 0 1
4484 B 41.38100 255.00 159.51 1.0000 0.0000 3.92157E-03 0.7002 0 1
4485 B 41.38800 268.00 159.49 1.0000 0.0000 3.73134E-03 0.6997 0 1
4486 B 41.39500 273.00 159.46 1.0000 0.0000 3.66300E-03 0.7002 0 1
4487 B 41.40200 271.00 159.44 1.0000 0.0000 3.69004E-03 0.6997 0 1
4488 B 41.40900 251.00 159.41 1.0000 0.0000 3.98406E-03 0.7002 0 1
4489 B 41.41600 251.00 159.38 1.0000 0.0000 3.98406E-03 0.7002 0 1
4490 B 41.42300 247.00 159.36 1.0000 0.0000 4.04858E-03 0.6997 0 1
4491 B 41.43000 244.00 159.33 1.0000 0.0000 4.09836E-03 0.7002 0 1
4492 B 41.43700 224.00 159.30 1.0000 0.0000 4.46429E-03 0.6997 0 1
4493 B 41.44400 249.00 159.28 1.0000 0.0000 4.01606E-03 0.7002 0 1
4494 B 41.45100 226.00 159.25 1.0000 0.0000 4.42478E-03 0.7002 0 1
4495 B 41.45800 243.00 159.23 1.0000 0.0000 4.11523E-03 0.6997 0 1
4496 B 41.46500 260.00 159.20 1.0000 0.0000 3.84615E-03 0.7002 0 1
4497 B 41.47200 248.00 159.17 1.0000 0.0000 4.03226E-03 0.6997 0 1
4498 B 41.47900 241.00 159.15 1.0000 0.0000 4.14938E-03 0.7002 0 1
4499 B 41.48600 243.00 159.12 1.0000 0.0000 4.11523E-03 0.7002 0 1
4500 B 41.49300 245.00 159.09 1.0000 0.0000 4.08163E-03 0.6997 0 1
4501 B 41.50000 225.00 159.07 1.0000 0.0000 4.44444E-03 0.7002 0 1
4502 B 41.50700 218.00 159.04 1.0000 0.0000 4.58716E-03 0.6997 0 1
4503 B 41.51400 224.00 159.02 1.0000 0.0000 4.46429E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 81
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4504 B 41.52100 240.00 158.99 1.0000 0.0000 4.16667E-03 0.7002 0 1
4505 B 41.52800 225.00 158.96 1.0000 0.0000 4.44444E-03 0.6997 0 1
4506 B 41.53500 232.00 158.94 1.0000 0.0000 4.31034E-03 0.7002 0 1
4507 B 41.54200 235.00 158.91 1.0000 0.0000 4.25532E-03 0.6997 0 1
4508 B 41.54900 197.00 158.88 1.0000 0.0000 5.07614E-03 0.7002 0 1
4509 B 41.55600 226.00 158.86 1.0000 0.0000 4.42478E-03 0.7002 0 1
4510 B 41.56300 232.00 158.83 1.0000 0.0000 4.31034E-03 0.6997 0 1
4511 B 41.57000 233.00 158.81 1.0000 0.0000 4.29185E-03 0.7002 0 1
4512 B 41.57700 227.00 158.78 1.0000 0.0000 4.40529E-03 0.6997 0 1
4513 B 41.58400 237.00 158.75 1.0000 0.0000 4.21941E-03 0.7002 0 1
4514 B 41.59100 224.00 158.73 1.0000 0.0000 4.46429E-03 0.7002 0 1
4515 B 41.59800 225.00 158.70 1.0000 0.0000 4.44444E-03 0.6997 0 1
4516 B 41.60500 226.00 158.67 1.0000 0.0000 4.42478E-03 0.7002 0 1
4517 B 41.61200 235.00 158.65 1.0000 0.0000 4.25532E-03 0.6997 0 1
4518 B 41.61900 220.00 158.62 1.0000 0.0000 4.54545E-03 0.7002 0 1
4519 B 41.62600 226.00 158.60 1.0000 0.0000 4.42478E-03 0.7002 0 1
4520 B 41.63300 210.00 158.57 1.0000 0.0000 4.76190E-03 0.6997 0 1
4521 B 41.64000 204.00 158.54 1.0000 0.0000 4.90196E-03 0.7002 0 1
4522 B 41.64700 217.00 158.52 1.0000 0.0000 4.60829E-03 0.6997 0 1
4523 B 41.65400 202.00 158.49 1.0000 0.0000 4.95049E-03 0.7002 0 1
4524 B 41.66100 246.00 158.47 1.0000 0.0000 4.06504E-03 0.7002 0 1
4525 B 41.66800 222.00 158.44 1.0000 0.0000 4.50450E-03 0.6997 0 1
4526 B 41.67500 224.00 158.41 1.0000 0.0000 4.46429E-03 0.7002 0 1
4527 B 41.68200 222.00 158.39 1.0000 0.0000 4.50450E-03 0.6997 0 1
4528 B 41.68900 230.00 158.36 1.0000 0.0000 4.34783E-03 0.7002 0 1
4529 B 41.69600 219.00 158.33 1.0000 0.0000 4.56621E-03 0.7002 0 1
4530 B 41.70300 216.00 158.31 1.0000 0.0000 4.62963E-03 0.6997 0 1
4531 B 41.71000 206.00 158.28 1.0000 0.0000 4.85437E-03 0.7002 0 1
4532 B 41.71700 216.00 158.26 1.0000 0.0000 4.62963E-03 0.6997 0 1
4533 B 41.72400 211.00 158.23 1.0000 0.0000 4.73934E-03 0.7002 0 1
4534 B 41.73100 199.00 158.20 1.0000 0.0000 5.02513E-03 0.7002 0 1
4535 B 41.73800 213.00 158.18 1.0000 0.0000 4.69484E-03 0.6997 0 1
4536 B 41.74500 227.00 158.15 1.0000 0.0000 4.40529E-03 0.7002 0 1
4537 B 41.75200 226.00 158.13 1.0000 0.0000 4.42478E-03 0.6997 0 1
4538 B 41.75900 213.00 158.10 1.0000 0.0000 4.69484E-03 0.7002 0 1
4539 B 41.76600 208.00 158.07 1.0000 0.0000 4.80769E-03 0.7002 0 1
4540 B 41.77300 199.00 158.05 1.0000 0.0000 5.02513E-03 0.6997 0 1
4541 B 41.78000 195.00 158.02 1.0000 0.0000 5.12821E-03 0.7002 0 1
4542 B 41.78700 202.00 158.00 1.0000 0.0000 4.95049E-03 0.6997 0 1
4543 B 41.79400 211.00 157.97 1.0000 0.0000 4.73934E-03 0.7002 0 1
4544 B 41.80100 189.00 157.94 1.0000 0.0000 5.29101E-03 0.7002 0 1
4545 B 41.80800 197.00 157.92 1.0000 0.0000 5.07614E-03 0.6997 0 1
4546 B 41.81500 194.00 157.89 1.0000 0.0000 5.15464E-03 0.7002 0 1
4547 B 41.82200 203.00 157.86 1.0000 0.0000 4.92611E-03 0.6997 0 1
4548 B 41.82900 201.00 157.84 1.0000 0.0000 4.97512E-03 0.7002 0 1
4549 B 41.83600 191.00 157.81 1.0000 0.0000 5.23560E-03 0.7002 0 1
4550 B 41.84300 191.00 157.79 1.0000 0.0000 5.23560E-03 0.6997 0 1
4551 B 41.85000 202.00 157.76 1.0000 0.0000 4.95049E-03 0.7002 0 1
4552 B 41.85700 183.00 157.73 1.0000 0.0000 5.46448E-03 0.6997 0 1
4553 B 41.86400 204.00 157.71 1.0000 0.0000 4.90196E-03 0.7002 0 1
4554 B 41.87100 211.00 157.68 1.0000 0.0000 4.73934E-03 0.7002 0 1
4555 B 41.87800 187.00 157.66 1.0000 0.0000 5.34759E-03 0.6997 0 1
4556 B 41.88500 214.00 157.63 1.0000 0.0000 4.67290E-03 0.7002 0 1
4557 B 41.89200 192.00 157.60 1.0000 0.0000 5.20833E-03 0.6997 0 1
4558 B 41.89900 189.00 157.58 1.0000 0.0000 5.29101E-03 0.7002 0 1
4559 B 41.90600 182.00 157.55 1.0000 0.0000 5.49451E-03 0.7002 0 1
4560 B 41.91300 189.00 157.53 1.0000 0.0000 5.29101E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 82
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4561 B 41.92000 200.00 157.50 1.0000 0.0000 5.00000E-03 0.7002 0 1
4562 B 41.92700 200.00 157.47 1.0000 0.0000 5.00000E-03 0.6997 0 1
4563 B 41.93400 190.00 157.45 1.0000 0.0000 5.26316E-03 0.7002 0 1
4564 B 41.94100 187.00 157.42 1.0000 0.0000 5.34759E-03 0.7002 0 1
4565 B 41.94800 209.00 157.40 1.0000 0.0000 4.78469E-03 0.6997 0 1
4566 B 41.95500 192.00 157.37 1.0000 0.0000 5.20833E-03 0.7002 0 1
4567 B 41.96200 197.00 157.34 1.0000 0.0000 5.07614E-03 0.6997 0 1
4568 B 41.96900 210.00 157.32 1.0000 0.0000 4.76190E-03 0.7002 0 1
4569 B 41.97600 179.00 157.29 1.0000 0.0000 5.58659E-03 0.7002 0 1
4570 B 41.98300 192.00 157.27 1.0000 0.0000 5.20833E-03 0.6997 0 1
4571 B 41.99000 191.00 157.24 1.0000 0.0000 5.23560E-03 0.7002 0 1
4572 B 41.99700 199.00 157.21 1.0000 0.0000 5.02513E-03 0.6997 0 1
4573 B 42.00400 178.00 157.19 1.0000 0.0000 5.61798E-03 0.7002 0 1
4574 B 42.01100 171.00 157.16 1.0000 0.0000 5.84795E-03 0.7002 0 1
4575 B 42.01800 184.00 157.14 1.0000 0.0000 5.43478E-03 0.6997 0 1
4576 B 42.02500 189.00 157.11 1.0000 0.0000 5.29101E-03 0.7002 0 1
4577 B 42.03200 167.00 157.08 1.0000 0.0000 5.98802E-03 0.6997 0 1
4578 B 42.03900 169.00 157.06 1.0000 0.0000 5.91716E-03 0.7002 0 1
4579 B 42.04600 181.00 157.03 1.0000 0.0000 5.52486E-03 0.7002 0 1
4580 B 42.05300 184.00 157.01 1.0000 0.0000 5.43478E-03 0.6997 0 1
4581 B 42.06000 207.00 156.98 1.0000 0.0000 4.83092E-03 0.7002 0 1
4582 B 42.06700 202.00 156.95 1.0000 0.0000 4.95049E-03 0.6997 0 1
4583 B 42.07400 174.00 156.93 1.0000 0.0000 5.74713E-03 0.7002 0 1
4584 B 42.08100 195.00 156.90 1.0000 0.0000 5.12821E-03 0.7002 0 1
4585 B 42.08800 179.00 156.88 1.0000 0.0000 5.58659E-03 0.6997 0 1
4586 B 42.09500 173.00 156.85 1.0000 0.0000 5.78035E-03 0.7002 0 1
4587 B 42.10200 178.00 156.82 1.0000 0.0000 5.61798E-03 0.6997 0 1
4588 B 42.10900 185.00 156.80 1.0000 0.0000 5.40541E-03 0.7002 0 1
4589 B 42.11600 177.00 156.77 1.0000 0.0000 5.64972E-03 0.7002 0 1
4590 B 42.12300 174.00 156.75 1.0000 0.0000 5.74713E-03 0.6997 0 1
4591 B 42.13000 164.00 156.72 1.0000 0.0000 6.09756E-03 0.7002 0 1
4592 B 42.13700 166.00 156.69 1.0000 0.0000 6.02410E-03 0.6997 0 1
4593 B 42.14400 171.00 156.67 1.0000 0.0000 5.84795E-03 0.7002 0 1
4594 B 42.15100 191.00 156.64 1.0000 0.0000 5.23560E-03 0.7002 0 1
4595 B 42.15800 188.00 156.62 1.0000 0.0000 5.31915E-03 0.6997 0 1
4596 B 42.16500 189.00 156.59 1.0000 0.0000 5.29101E-03 0.7002 0 1
4597 B 42.17200 187.00 156.56 1.0000 0.0000 5.34759E-03 0.6997 0 1
4598 B 42.17900 189.00 156.54 1.0000 0.0000 5.29101E-03 0.7002 0 1
4599 B 42.18600 177.00 156.51 1.0000 0.0000 5.64972E-03 0.7002 0 1
4600 B 42.19300 162.00 156.49 1.0000 0.0000 6.17284E-03 0.6997 0 1
4601 B 42.20000 152.00 156.46 1.0000 0.0000 6.57895E-03 0.7002 0 1
4602 B 42.20700 196.00 156.43 1.0000 0.0000 5.10204E-03 0.6997 0 1
4603 B 42.21400 176.00 156.41 1.0000 0.0000 5.68182E-03 0.7002 0 1
4604 B 42.22100 170.00 156.38 1.0000 0.0000 5.88235E-03 0.7002 0 1
4605 B 42.22800 177.00 156.36 1.0000 0.0000 5.64972E-03 0.6997 0 1
4606 B 42.23500 188.00 156.33 1.0000 0.0000 5.31915E-03 0.7002 0 1
4607 B 42.24200 179.00 156.30 1.0000 0.0000 5.58659E-03 0.6997 0 1
4608 B 42.24900 162.00 156.28 1.0000 0.0000 6.17284E-03 0.7002 0 1
4609 B 42.25600 151.00 156.25 1.0000 0.0000 6.62252E-03 0.7002 0 1
4610 B 42.26300 165.00 156.23 1.0000 0.0000 6.06061E-03 0.6997 0 1
4611 B 42.27000 185.00 156.20 1.0000 0.0000 5.40541E-03 0.7002 0 1
4612 B 42.27700 161.00 156.18 1.0000 0.0000 6.21118E-03 0.6997 0 1
4613 B 42.28400 165.00 156.15 1.0000 0.0000 6.06061E-03 0.7002 0 1
4614 B 42.29100 149.00 156.12 1.0000 0.0000 6.71141E-03 0.7002 0 1
4615 B 42.29800 178.00 156.10 1.0000 0.0000 5.61798E-03 0.6997 0 1
4616 B 42.30500 163.00 156.07 1.0000 0.0000 6.13497E-03 0.7002 0 1
4617 B 42.31200 168.00 156.05 1.0000 0.0000 5.95238E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 83
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4618 B 42.31900 160.00 156.02 1.0000 0.0000 6.25000E-03 0.7002 0 1
4619 B 42.32600 147.00 155.99 1.0000 0.0000 6.80272E-03 0.7002 0 1
4620 B 42.33300 172.00 155.97 1.0000 0.0000 5.81395E-03 0.6997 0 1
4621 B 42.34000 156.00 155.94 1.0000 0.0000 6.41026E-03 0.7002 0 1
4622 B 42.34700 147.00 155.92 1.0000 0.0000 6.80272E-03 0.6997 0 1
4623 B 42.35400 142.00 155.89 1.0000 0.0000 7.04225E-03 0.7002 0 1
4624 B 42.36100 139.00 155.87 1.0000 0.0000 7.19424E-03 0.7002 0 1
4625 B 42.36800 145.00 155.84 1.0000 0.0000 6.89655E-03 0.6997 0 1
4626 B 42.37500 166.00 155.81 1.0000 0.0000 6.02410E-03 0.7002 0 1
4627 B 42.38200 173.00 155.79 1.0000 0.0000 5.78035E-03 0.6997 0 1
4628 B 42.38900 169.00 155.76 1.0000 0.0000 5.91716E-03 0.7002 0 1
4629 B 42.39600 167.00 155.74 1.0000 0.0000 5.98802E-03 0.7002 0 1
4630 B 42.40300 161.00 155.71 1.0000 0.0000 6.21118E-03 0.6997 0 1
4631 B 42.41000 187.00 155.68 1.0000 0.0000 5.34759E-03 0.7002 0 1
4632 B 42.41700 172.00 155.66 1.0000 0.0000 5.81395E-03 0.6997 0 1
4633 B 42.42400 163.00 155.63 1.0000 0.0000 6.13497E-03 0.7002 0 1
4634 B 42.43100 158.00 155.61 1.0000 0.0000 6.32911E-03 0.7002 0 1
4635 B 42.43800 152.00 155.58 1.0000 0.0000 6.57895E-03 0.6997 0 1
4636 B 42.44500 148.00 155.56 1.0000 0.0000 6.75676E-03 0.7002 0 1
4637 B 42.45200 160.00 155.53 1.0000 0.0000 6.25000E-03 0.6997 0 1
4638 B 42.45900 169.00 155.50 1.0000 0.0000 5.91716E-03 0.7002 0 1
4639 B 42.46600 166.00 155.48 1.0000 0.0000 6.02410E-03 0.7002 0 1
4640 B 42.47300 166.00 155.45 1.0000 0.0000 6.02410E-03 0.6997 0 1
4641 B 42.48000 165.00 155.43 1.0000 0.0000 6.06061E-03 0.7002 0 1
4642 B 42.48700 163.00 155.40 1.0000 0.0000 6.13497E-03 0.6997 0 1
4643 B 42.49400 165.00 155.37 1.0000 0.0000 6.06061E-03 0.7002 0 1
4644 B 42.50100 162.00 155.35 1.0000 0.0000 6.17284E-03 0.7002 0 1
4645 B 42.50800 158.00 155.32 1.0000 0.0000 6.32911E-03 0.6997 0 1
4646 B 42.51500 151.00 155.30 1.0000 0.0000 6.62252E-03 0.7002 0 1
4647 B 42.52200 165.00 155.27 1.0000 0.0000 6.06061E-03 0.6997 0 1
4648 B 42.52900 173.00 155.25 1.0000 0.0000 5.78035E-03 0.7002 0 1
4649 B 42.53600 155.00 155.22 1.0000 0.0000 6.45161E-03 0.7002 0 1
4650 B 42.54300 174.00 155.19 1.0000 0.0000 5.74713E-03 0.6997 0 1
4651 B 42.55000 172.00 155.17 1.0000 0.0000 5.81395E-03 0.7002 0 1
4652 B 42.55700 153.00 155.14 1.0000 0.0000 6.53595E-03 0.6997 0 1
4653 B 42.56400 161.00 155.12 1.0000 0.0000 6.21118E-03 0.7002 0 1
4654 B 42.57100 169.00 155.09 1.0000 0.0000 5.91716E-03 0.7002 0 1
4655 B 42.57800 160.00 155.07 1.0000 0.0000 6.25000E-03 0.6997 0 1
4656 B 42.58500 169.00 155.04 1.0000 0.0000 5.91716E-03 0.7002 0 1
4657 B 42.59200 156.00 155.01 1.0000 0.0000 6.41026E-03 0.6997 0 1
4658 B 42.59900 171.00 154.99 1.0000 0.0000 5.84795E-03 0.7002 0 1
4659 B 42.60600 165.00 154.96 1.0000 0.0000 6.06061E-03 0.7002 0 1
4660 B 42.61300 160.00 154.94 1.0000 0.0000 6.25000E-03 0.6997 0 1
4661 B 42.62000 144.00 154.91 1.0000 0.0000 6.94444E-03 0.7002 0 1
4662 B 42.62700 167.00 154.89 1.0000 0.0000 5.98802E-03 0.6997 0 1
4663 B 42.63400 157.00 154.86 1.0000 0.0000 6.36943E-03 0.7002 0 1
4664 B 42.64100 150.00 154.83 1.0000 0.0000 6.66667E-03 0.7002 0 1
4665 B 42.64800 145.00 154.81 1.0000 0.0000 6.89655E-03 0.6997 0 1
4666 B 42.65500 161.00 154.78 1.0000 0.0000 6.21118E-03 0.7002 0 1
4667 B 42.66200 150.00 154.76 1.0000 0.0000 6.66667E-03 0.6997 0 1
4668 B 42.66900 152.00 154.73 1.0000 0.0000 6.57895E-03 0.7002 0 1
4669 B 42.67600 152.00 154.71 1.0000 0.0000 6.57895E-03 0.7002 0 1
4670 B 42.68300 158.00 154.68 1.0000 0.0000 6.32911E-03 0.6997 0 1
4671 B 42.69000 166.00 154.65 1.0000 0.0000 6.02410E-03 0.7002 0 1
4672 B 42.69700 151.00 154.63 1.0000 0.0000 6.62252E-03 0.6997 0 1
4673 B 42.70400 152.00 154.60 1.0000 0.0000 6.57895E-03 0.7002 0 1
4674 B 42.71100 145.00 154.58 1.0000 0.0000 6.89655E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 84
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4675 B 42.71800 143.00 154.55 1.0000 0.0000 6.99301E-03 0.6997 0 1
4676 B 42.72500 154.00 154.53 1.0000 0.0000 6.49351E-03 0.7002 0 1
4677 B 42.73200 143.00 154.50 1.0000 0.0000 6.99301E-03 0.6997 0 1
4678 B 42.73900 147.00 154.47 1.0000 0.0000 6.80272E-03 0.7002 0 1
4679 B 42.74600 169.00 154.45 1.0000 0.0000 5.91716E-03 0.7002 0 1
4680 B 42.75300 181.00 154.42 1.0000 0.0000 5.52486E-03 0.6997 0 1
4681 B 42.76000 155.00 154.40 1.0000 0.0000 6.45161E-03 0.7002 0 1
4682 B 42.76700 147.00 154.37 1.0000 0.0000 6.80272E-03 0.6997 0 1
4683 B 42.77400 159.00 154.35 1.0000 0.0000 6.28931E-03 0.7002 0 1
4684 B 42.78100 170.00 154.32 1.0000 0.0000 5.88235E-03 0.7002 0 1
4685 B 42.78800 170.00 154.29 1.0000 0.0000 5.88235E-03 0.6997 0 1
4686 B 42.79500 174.00 154.27 1.0000 0.0000 5.74713E-03 0.7002 0 1
4687 B 42.80200 170.00 154.24 1.0000 0.0000 5.88235E-03 0.6997 0 1
4688 B 42.80900 149.00 154.22 1.0000 0.0000 6.71141E-03 0.7002 0 1
4689 B 42.81600 161.00 154.19 1.0000 0.0000 6.21118E-03 0.7002 0 1
4690 B 42.82300 176.00 154.17 1.0000 0.0000 5.68182E-03 0.6997 0 1
4691 B 42.83000 124.00 154.14 1.0000 0.0000 8.06452E-03 0.7002 0 1
4692 B 42.83700 134.00 154.11 1.0000 0.0000 7.46269E-03 0.6997 0 1
4693 B 42.84400 137.00 154.09 1.0000 0.0000 7.29927E-03 0.7002 0 1
4694 B 42.85100 141.00 154.06 1.0000 0.0000 7.09220E-03 0.7002 0 1
4695 B 42.85800 151.00 154.04 1.0000 0.0000 6.62252E-03 0.6997 0 1
4696 B 42.86500 152.00 154.01 1.0000 0.0000 6.57895E-03 0.7002 0 1
4697 B 42.87200 154.00 153.99 1.0000 0.0000 6.49351E-03 0.6997 0 1
4698 B 42.87900 142.00 153.96 1.0000 0.0000 7.04225E-03 0.7002 0 1
4699 B 42.88600 142.00 153.94 1.0000 0.0000 7.04225E-03 0.7002 0 1
4700 B 42.89300 139.00 153.91 1.0000 0.0000 7.19424E-03 0.6997 0 1
4701 B 42.90000 135.00 153.88 1.0000 0.0000 7.40741E-03 0.7002 0 1
4702 B 42.90700 136.00 153.86 1.0000 0.0000 7.35294E-03 0.6997 0 1
4703 B 42.91400 153.00 153.83 1.0000 0.0000 6.53595E-03 0.7002 0 1
4704 B 42.92100 151.00 153.81 1.0000 0.0000 6.62252E-03 0.7002 0 1
4705 B 42.92800 158.00 153.78 1.0000 0.0000 6.32911E-03 0.6997 0 1
4706 B 42.93500 137.00 153.76 1.0000 0.0000 7.29927E-03 0.7002 0 1
4707 B 42.94200 142.00 153.73 1.0000 0.0000 7.04225E-03 0.6997 0 1
4708 B 42.94900 137.00 153.70 1.0000 0.0000 7.29927E-03 0.7002 0 1
4709 B 42.95600 153.00 153.68 1.0000 0.0000 6.53595E-03 0.7002 0 1
4710 B 42.96300 150.00 153.65 1.0000 0.0000 6.66667E-03 0.6997 0 1
4711 B 42.97000 156.00 153.63 1.0000 0.0000 6.41026E-03 0.7002 0 1
4712 B 42.97700 136.00 153.60 1.0000 0.0000 7.35294E-03 0.6997 0 1
4713 B 42.98400 161.00 153.58 1.0000 0.0000 6.21118E-03 0.7002 0 1
4714 B 42.99100 167.00 153.55 1.0000 0.0000 5.98802E-03 0.7002 0 1
4715 B 42.99800 168.00 153.53 1.0000 0.0000 5.95238E-03 0.6997 0 1
4716 B 43.00500 159.00 153.50 1.0000 0.0000 6.28931E-03 0.7002 0 1
4717 B 43.01200 159.00 153.47 1.0000 0.0000 6.28931E-03 0.6997 0 1
4718 B 43.01900 156.00 153.45 1.0000 0.0000 6.41026E-03 0.7002 0 1
4719 B 43.02600 144.00 153.42 1.0000 0.0000 6.94444E-03 0.7002 0 1
4720 B 43.03300 154.00 153.40 1.0000 0.0000 6.49351E-03 0.6997 0 1
4721 B 43.04000 162.00 153.37 1.0000 0.0000 6.17284E-03 0.7002 0 1
4722 B 43.04700 128.00 153.35 1.0000 0.0000 7.81250E-03 0.6997 0 1
4723 B 43.05400 161.00 153.32 1.0000 0.0000 6.21118E-03 0.7002 0 1
4724 B 43.06100 158.00 153.30 1.0000 0.0000 6.32911E-03 0.7002 0 1
4725 B 43.06800 142.00 153.27 1.0000 0.0000 7.04225E-03 0.6997 0 1
4726 B 43.07500 162.00 153.24 1.0000 0.0000 6.17284E-03 0.7002 0 1
4727 B 43.08200 148.00 153.22 1.0000 0.0000 6.75676E-03 0.6997 0 1
4728 B 43.08900 145.00 153.19 1.0000 0.0000 6.89655E-03 0.7002 0 1
4729 B 43.09600 144.00 153.17 1.0000 0.0000 6.94444E-03 0.7002 0 1
4730 B 43.10300 136.00 153.14 1.0000 0.0000 7.35294E-03 0.6997 0 1
4731 B 43.11000 145.00 153.12 1.0000 0.0000 6.89655E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 85
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4732 B 43.11700 137.00 153.09 1.0000 0.0000 7.29927E-03 0.6997 0 1
4733 B 43.12400 137.00 153.07 1.0000 0.0000 7.29927E-03 0.7002 0 1
4734 . 43.13100 151.00 153.66 1.0000 0.0000 6.62252E-03 0.7002 13 1
4735 . 43.13800 159.00 153.69 1.0000 0.0000 6.28931E-03 0.6997 13 1
4736 . 43.14500 148.00 153.73 1.0000 0.0000 6.75676E-03 0.7002 13 1
4737 . 43.15200 151.00 153.77 1.0000 0.0000 6.62252E-03 0.6997 13 1
4738 . 43.15900 147.00 153.84 1.0000 0.0000 6.80272E-03 0.7002 13 1
4739 . 43.16600 145.00 153.91 1.0000 0.0000 6.89655E-03 0.7002 13 1
4740 . 43.17300 147.00 154.00 1.0000 0.0000 6.80272E-03 0.6997 13 1
4741 . 43.18000 153.00 154.12 1.0000 0.0000 6.53595E-03 0.7002 13 1
4742 . 43.18700 149.00 154.27 1.0000 0.0000 6.71141E-03 0.6997 13 1
4743 . 43.19400 155.00 154.48 1.0000 0.0000 6.45161E-03 0.7002 13 1
4744 . 43.20100 137.00 154.78 1.0000 0.0000 7.29927E-03 0.7002 13 1
4745 . 43.20800 151.00 155.26 1.0000 0.0000 6.62252E-03 0.6997 13 1
4746 . 43.21500 160.00 156.07 1.0000 0.0000 6.25000E-03 0.7002 13 1
4747 . 43.22200 159.00 157.48 1.0000 0.0000 6.28931E-03 0.6997 13 1
4748 . 43.22900 159.00 159.86 1.0000 0.0000 6.28931E-03 0.7002 13 1
4749 . 43.23600 160.00 163.75 1.0000 0.0000 6.25000E-03 0.7002 13 1
4750 . 43.24300 163.00 169.97 1.0000 0.0000 6.13497E-03 0.6997 13 2
4751 . 43.25000 161.00 178.30 1.0000 0.0000 6.21118E-03 0.7002 13 2
4752 . 43.25700 161.00 188.98 1.0000 0.0000 6.21118E-03 0.6997 13 2
4753 . 43.26400 149.00 201.27 1.0000 0.0000 6.71141E-03 0.7002 13 2
4754 . 43.27100 158.00 213.69 1.0000 0.0000 6.32911E-03 0.7002 13 2
4755 . 43.27800 161.00 223.97 1.0000 0.0000 6.21118E-03 0.6997 13 2
4756 .1 43.28500 164.00 229.56 1.0000 0.0000 6.09756E-03 0.7002 13 2
4757 . 43.29200 157.00 228.69 1.0000 0.0000 6.36943E-03 0.6997 13 2
4758 . 43.29900 173.00 221.69 1.0000 0.0000 5.78035E-03 0.7002 13 2
4759 . 43.30600 192.00 210.68 1.0000 0.0000 5.20833E-03 0.7002 13 2
4760 . 43.31300 167.00 198.25 1.0000 0.0000 5.98802E-03 0.6997 13 2
4761 . 43.32000 147.00 186.52 1.0000 0.0000 6.80272E-03 0.7002 13 2
4762 . 43.32700 171.00 176.83 1.0000 0.0000 5.84795E-03 0.6997 13 2
4763 . 43.33400 177.00 169.84 1.0000 0.0000 5.64972E-03 0.7002 13 2
4764 . 43.34100 147.00 165.66 1.0000 0.0000 6.80272E-03 0.7002 13 2
4765 . 43.34800 162.00 164.10 1.0000 0.0000 6.17284E-03 0.6997 13 2
4766 . 43.35500 160.00 164.90 1.0000 0.0000 6.25000E-03 0.7002 13 2
4767 . 43.36200 161.00 167.75 1.0000 0.0000 6.21118E-03 0.6997 13 2
4768 . 43.36900 170.00 172.27 1.0000 0.0000 5.88235E-03 0.7002 13 2
4769 . 43.37600 155.00 177.89 1.0000 0.0000 6.45161E-03 0.7002 13 2
4770 . 43.38300 156.00 183.74 1.0000 0.0000 6.41026E-03 0.6997 13 2
4771 . 43.39000 158.00 188.65 1.0000 0.0000 6.32911E-03 0.7002 13 2
4772 .1 43.39700 166.00 191.29 1.0000 0.0000 6.02410E-03 0.6997 13 2
4773 . 43.40400 175.00 190.77 1.0000 0.0000 5.71429E-03 0.7002 13 2
4774 . 43.41100 161.00 187.18 1.0000 0.0000 6.21118E-03 0.7002 13 2
4775 . 43.41800 160.00 181.59 1.0000 0.0000 6.25000E-03 0.6997 13 2
4776 . 43.42500 156.00 175.24 1.0000 0.0000 6.41026E-03 0.7002 13 2
4777 . 43.43200 166.00 169.18 1.0000 0.0000 6.02410E-03 0.6997 13 2
4778 . 43.43900 164.00 163.40 1.0000 0.0000 6.09756E-03 0.7002 14 1
4779 . 43.44600 166.00 159.54 1.0000 0.0000 6.02410E-03 0.7002 14 1
4780 . 43.45300 185.00 156.83 1.0000 0.0000 5.40541E-03 0.6997 14 1
4781 . 43.46000 177.00 155.06 1.0000 0.0000 5.64972E-03 0.7002 14 1
4782 . 43.46700 186.00 153.98 1.0000 0.0000 5.37634E-03 0.6997 14 1
4783 . 43.47400 168.00 153.33 1.0000 0.0000 5.95238E-03 0.7002 14 1
4784 . 43.48100 203.00 152.94 1.0000 0.0000 4.92611E-03 0.7002 14 1
4785 . 43.48800 168.00 152.69 1.0000 0.0000 5.95238E-03 0.6997 14 1
4786 . 43.49500 192.00 152.52 1.0000 0.0000 5.20833E-03 0.7002 14 1
4787 . 43.50200 166.00 152.38 1.0000 0.0000 6.02410E-03 0.6997 14 1
4788 . 43.50900 186.00 152.28 1.0000 0.0000 5.37634E-03 0.7002 14 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 86
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4789 . 43.51600 168.00 152.18 1.0000 0.0000 5.95238E-03 0.7002 14 1
4790 . 43.52300 168.00 152.10 1.0000 0.0000 5.95238E-03 0.6997 14 1
4791 . 43.53000 174.00 152.03 1.0000 0.0000 5.74713E-03 0.7002 14 1
4792 . 43.53700 164.00 151.96 1.0000 0.0000 6.09756E-03 0.6997 14 1
4793 . 43.54400 159.00 151.90 1.0000 0.0000 6.28931E-03 0.7002 14 1
4794 B 43.55100 167.00 151.52 1.0000 0.0000 5.98802E-03 0.7002 0 1
4795 B 43.55800 177.00 151.49 1.0000 0.0000 5.64972E-03 0.6997 0 1
4796 B 43.56500 203.00 151.46 1.0000 0.0000 4.92611E-03 0.7002 0 1
4797 B 43.57200 172.00 151.44 1.0000 0.0000 5.81395E-03 0.6997 0 1
4798 B 43.57900 193.00 151.41 1.0000 0.0000 5.18135E-03 0.7002 0 1
4799 B 43.58600 197.00 151.39 1.0000 0.0000 5.07614E-03 0.7002 0 1
4800 B 43.59300 187.00 151.36 1.0000 0.0000 5.34759E-03 0.6997 0 1
4801 B 43.60000 195.00 151.34 1.0000 0.0000 5.12821E-03 0.7002 0 1
4802 B 43.60700 191.00 151.31 1.0000 0.0000 5.23560E-03 0.6997 0 1
4803 B 43.61400 187.00 151.29 1.0000 0.0000 5.34759E-03 0.7002 0 1
4804 B 43.62100 199.00 151.26 1.0000 0.0000 5.02513E-03 0.7002 0 1
4805 B 43.62800 183.00 151.24 1.0000 0.0000 5.46448E-03 0.6997 0 1
4806 B 43.63500 187.00 151.21 1.0000 0.0000 5.34759E-03 0.7002 0 1
4807 B 43.64200 197.00 151.19 1.0000 0.0000 5.07614E-03 0.6997 0 1
4808 B 43.64900 196.00 151.16 1.0000 0.0000 5.10204E-03 0.7002 0 1
4809 B 43.65600 209.00 151.14 1.0000 0.0000 4.78469E-03 0.7002 0 1
4810 B 43.66300 221.00 151.11 1.0000 0.0000 4.52489E-03 0.6997 0 1
4811 B 43.67000 187.00 151.09 1.0000 0.0000 5.34759E-03 0.7002 0 1
4812 B 43.67700 200.00 151.06 1.0000 0.0000 5.00000E-03 0.6997 0 1
4813 B 43.68400 224.00 151.03 1.0000 0.0000 4.46429E-03 0.7002 0 1
4814 B 43.69100 219.00 151.01 1.0000 0.0000 4.56621E-03 0.7002 0 1
4815 B 43.69800 212.00 150.98 1.0000 0.0000 4.71698E-03 0.6997 0 1
4816 B 43.70500 218.00 150.96 1.0000 0.0000 4.58716E-03 0.7002 0 1
4817 B 43.71200 218.00 150.93 1.0000 0.0000 4.58716E-03 0.6997 0 1
4818 B 43.71900 226.00 150.91 1.0000 0.0000 4.42478E-03 0.7002 0 1
4819 B 43.72600 214.00 150.88 1.0000 0.0000 4.67290E-03 0.7002 0 1
4820 B 43.73300 233.00 150.86 1.0000 0.0000 4.29185E-03 0.6997 0 1
4821 B 43.74000 225.00 150.83 1.0000 0.0000 4.44444E-03 0.7002 0 1
4822 B 43.74700 240.00 150.81 1.0000 0.0000 4.16667E-03 0.6997 0 1
4823 B 43.75400 244.00 150.78 1.0000 0.0000 4.09836E-03 0.7002 0 1
4824 B 43.76100 242.00 150.76 1.0000 0.0000 4.13223E-03 0.7002 0 1
4825 B 43.76800 258.00 150.73 1.0000 0.0000 3.87597E-03 0.6997 0 1
4826 B 43.77500 255.00 150.71 1.0000 0.0000 3.92157E-03 0.7002 0 1
4827 B 43.78200 239.00 150.68 1.0000 0.0000 4.18410E-03 0.6997 0 1
4828 B 43.78900 237.00 150.66 1.0000 0.0000 4.21941E-03 0.7002 0 1
4829 B 43.79600 240.00 150.63 1.0000 0.0000 4.16667E-03 0.7002 0 1
4830 B 43.80300 261.00 150.61 1.0000 0.0000 3.83142E-03 0.6997 0 1
4831 B 43.81000 258.00 150.58 1.0000 0.0000 3.87597E-03 0.7002 0 1
4832 B 43.81700 254.00 150.56 1.0000 0.0000 3.93701E-03 0.6997 0 1
4833 B 43.82400 263.00 150.53 1.0000 0.0000 3.80228E-03 0.7002 0 1
4834 B 43.83100 275.00 150.50 1.0000 0.0000 3.63636E-03 0.7002 0 1
4835 B 43.83800 284.00 150.48 1.0000 0.0000 3.52113E-03 0.6997 0 1
4836 B 43.84500 290.00 150.45 1.0000 0.0000 3.44828E-03 0.7002 0 1
4837 B 43.85200 286.00 150.43 1.0000 0.0000 3.49650E-03 0.6997 0 1
4838 B 43.85900 275.00 150.40 1.0000 0.0000 3.63636E-03 0.7002 0 1
4839 B 43.86600 287.00 150.38 1.0000 0.0000 3.48432E-03 0.7002 0 1
4840 B 43.87300 317.00 150.35 1.0000 0.0000 3.15457E-03 0.6997 0 1
4841 B 43.88000 328.00 150.33 1.0000 0.0000 3.04878E-03 0.7002 0 1
4842 B 43.88700 294.00 150.30 1.0000 0.0000 3.40136E-03 0.6997 0 1
4843 B 43.89400 329.00 150.28 1.0000 0.0000 3.03951E-03 0.7002 0 1
4844 B 43.90100 308.00 150.25 1.0000 0.0000 3.24675E-03 0.7002 0 1
4845 . 43.90800 335.00 150.33 1.0000 0.0000 2.98507E-03 0.6997 15 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 87
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4846 . 43.91500 323.00 150.31 1.0000 0.0000 3.09598E-03 0.7002 15 1
4847 . 43.92200 325.00 150.30 1.0000 0.0000 3.07692E-03 0.6997 15 1
4848 . 43.92900 333.00 150.29 1.0000 0.0000 3.00300E-03 0.7002 15 1
4849 . 43.93600 324.00 150.28 1.0000 0.0000 3.08642E-03 0.7002 15 1
4850 . 43.94300 341.00 150.27 1.0000 0.0000 2.93255E-03 0.6997 15 1
4851 . 43.95000 341.00 150.27 1.0000 0.0000 2.93255E-03 0.7002 15 1
4852 . 43.95700 343.00 150.27 1.0000 0.0000 2.91545E-03 0.6997 15 1
4853 . 43.96400 378.00 150.28 1.0000 0.0000 2.64550E-03 0.7002 15 1
4854 . 43.97100 371.00 150.30 1.0000 0.0000 2.69542E-03 0.7002 15 1
4855 . 43.97800 372.00 150.34 1.0000 0.0000 2.68817E-03 0.6997 15 1
4856 . 43.98500 369.00 150.42 1.0000 0.0000 2.71003E-03 0.7002 15 1
4857 . 43.99200 380.00 150.59 1.0000 0.0000 2.63158E-03 0.6997 15 1
4858 . 43.99900 402.00 150.88 1.0000 0.0000 2.48756E-03 0.7002 15 1
4859 . 44.00600 375.00 151.38 1.0000 0.0000 2.66667E-03 0.7002 15 1
4860 . 44.01300 369.00 152.17 1.0000 0.0000 2.71003E-03 0.6997 15 1
4861 . 44.02000 396.00 153.37 1.0000 0.0000 2.52525E-03 0.7002 15 2
4862 . 44.02700 389.00 154.89 1.0000 0.0000 2.57069E-03 0.6997 15 2
4863 . 44.03400 388.00 156.72 1.0000 0.0000 2.57732E-03 0.7002 15 2
4864 . 44.04100 397.00 158.66 1.0000 0.0000 2.51889E-03 0.7002 15 2
4865 . 44.04800 415.00 160.38 1.0000 0.0000 2.40964E-03 0.6997 15 2
4866 .1 44.05500 413.00 161.51 1.0000 0.0000 2.42131E-03 0.7002 15 2
4867 . 44.06200 405.00 161.69 1.0000 0.0000 2.46914E-03 0.6997 15 2
4868 . 44.06900 382.00 160.86 1.0000 0.0000 2.61780E-03 0.7002 15 2
4869 . 44.07600 412.00 159.28 1.0000 0.0000 2.42718E-03 0.7002 15 2
4870 . 44.08300 407.00 157.36 1.0000 0.0000 2.45700E-03 0.6997 15 2
4871 . 44.09000 395.00 155.45 1.0000 0.0000 2.53165E-03 0.7002 15 2
4872 . 44.09700 407.00 153.79 1.0000 0.0000 2.45700E-03 0.6997 15 2
4873 . 44.10400 415.00 152.53 1.0000 0.0000 2.40964E-03 0.7002 15 2
4874 . 44.11100 387.00 151.69 1.0000 0.0000 2.58398E-03 0.7002 15 2
4875 . 44.11800 390.00 151.27 1.0000 0.0000 2.56410E-03 0.6997 15 2
4876 . 44.12500 412.00 151.21 1.0000 0.0000 2.42718E-03 0.7002 15 2
4877 . 44.13200 415.00 151.47 1.0000 0.0000 2.40964E-03 0.6997 15 2
4878 . 44.13900 416.00 152.02 1.0000 0.0000 2.40385E-03 0.7002 15 2
4879 . 44.14600 413.00 152.79 1.0000 0.0000 2.42131E-03 0.7002 15 2
4880 . 44.15300 398.00 153.68 1.0000 0.0000 2.51256E-03 0.6997 15 2
4881 . 44.16000 401.00 154.54 1.0000 0.0000 2.49377E-03 0.7002 15 2
4882 . 44.16700 380.00 155.18 1.0000 0.0000 2.63158E-03 0.6997 15 2
4883 .1 44.17400 362.00 155.40 1.0000 0.0000 2.76243E-03 0.7002 15 2
4884 . 44.18100 365.00 155.12 1.0000 0.0000 2.73973E-03 0.7002 15 2
4885 . 44.18800 392.00 154.40 1.0000 0.0000 2.55102E-03 0.6997 15 2
4886 . 44.19500 395.00 153.45 1.0000 0.0000 2.53165E-03 0.7002 15 2
4887 . 44.20200 379.00 152.44 1.0000 0.0000 2.63852E-03 0.6997 15 2
4888 . 44.20900 407.00 151.53 1.0000 0.0000 2.45700E-03 0.7002 15 2
4889 . 44.21600 370.00 150.68 1.0000 0.0000 2.70270E-03 0.7002 16 1
4890 . 44.22300 386.00 150.12 1.0000 0.0000 2.59067E-03 0.6997 16 1
4891 . 44.23000 355.00 149.74 1.0000 0.0000 2.81690E-03 0.7002 16 1
4892 . 44.23700 352.00 149.48 1.0000 0.0000 2.84091E-03 0.6997 16 1
4893 . 44.24400 331.00 149.32 1.0000 0.0000 3.02115E-03 0.7002 16 1
4894 . 44.25100 312.00 149.21 1.0000 0.0000 3.20513E-03 0.7002 16 1
4895 . 44.25800 310.00 149.14 1.0000 0.0000 3.22581E-03 0.6997 16 1
4896 . 44.26500 329.00 149.09 1.0000 0.0000 3.03951E-03 0.7002 16 1
4897 . 44.27200 327.00 149.04 1.0000 0.0000 3.05810E-03 0.6997 16 1
4898 . 44.27900 323.00 149.00 1.0000 0.0000 3.09598E-03 0.7002 16 1
4899 . 44.28600 301.00 148.96 1.0000 0.0000 3.32226E-03 0.7002 16 1
4900 . 44.29300 301.00 148.93 1.0000 0.0000 3.32226E-03 0.6997 16 1
4901 . 44.30000 294.00 148.90 1.0000 0.0000 3.40136E-03 0.7002 16 1
4902 . 44.30700 314.00 148.86 1.0000 0.0000 3.18471E-03 0.6997 16 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 88
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4903 . 44.31400 311.00 148.83 1.0000 0.0000 3.21543E-03 0.7002 16 1
4904 . 44.32100 298.00 148.80 1.0000 0.0000 3.35570E-03 0.7002 16 1
4905 B 44.32800 271.00 148.72 1.0000 0.0000 3.69004E-03 0.6997 0 1
4906 B 44.33500 286.00 148.70 1.0000 0.0000 3.49650E-03 0.7002 0 1
4907 B 44.34200 282.00 148.67 1.0000 0.0000 3.54610E-03 0.6997 0 1
4908 B 44.34900 297.00 148.65 1.0000 0.0000 3.36700E-03 0.7002 0 1
4909 B 44.35600 271.00 148.62 1.0000 0.0000 3.69004E-03 0.7002 0 1
4910 B 44.36300 261.00 148.60 1.0000 0.0000 3.83142E-03 0.6997 0 1
4911 B 44.37000 233.00 148.57 1.0000 0.0000 4.29185E-03 0.7002 0 1
4912 B 44.37700 254.00 148.55 1.0000 0.0000 3.93701E-03 0.6997 0 1
4913 B 44.38400 250.00 148.52 1.0000 0.0000 4.00000E-03 0.7002 0 1
4914 B 44.39100 232.00 148.50 1.0000 0.0000 4.31034E-03 0.7002 0 1
4915 B 44.39800 238.00 148.47 1.0000 0.0000 4.20168E-03 0.6997 0 1
4916 B 44.40500 242.00 148.45 1.0000 0.0000 4.13223E-03 0.7002 0 1
4917 B 44.41200 239.00 148.42 1.0000 0.0000 4.18410E-03 0.6997 0 1
4918 B 44.41900 217.00 148.40 1.0000 0.0000 4.60829E-03 0.7002 0 1
4919 B 44.42600 229.00 148.37 1.0000 0.0000 4.36681E-03 0.7002 0 1
4920 B 44.43300 224.00 148.35 1.0000 0.0000 4.46429E-03 0.6997 0 1
4921 B 44.44000 213.00 148.32 1.0000 0.0000 4.69484E-03 0.7002 0 1
4922 B 44.44700 218.00 148.30 1.0000 0.0000 4.58716E-03 0.6997 0 1
4923 B 44.45400 226.00 148.27 1.0000 0.0000 4.42478E-03 0.7002 0 1
4924 B 44.46100 223.00 148.25 1.0000 0.0000 4.48431E-03 0.7002 0 1
4925 B 44.46800 207.00 148.22 1.0000 0.0000 4.83092E-03 0.6997 0 1
4926 B 44.47500 207.00 148.20 1.0000 0.0000 4.83092E-03 0.7002 0 1
4927 B 44.48200 198.00 148.17 1.0000 0.0000 5.05051E-03 0.6997 0 1
4928 B 44.48900 194.00 148.15 1.0000 0.0000 5.15464E-03 0.7002 0 1
4929 B 44.49600 195.00 148.12 1.0000 0.0000 5.12821E-03 0.7002 0 1
4930 B 44.50300 194.00 148.10 1.0000 0.0000 5.15464E-03 0.6997 0 1
4931 B 44.51000 190.00 148.07 1.0000 0.0000 5.26316E-03 0.7002 0 1
4932 B 44.51700 202.00 148.05 1.0000 0.0000 4.95049E-03 0.6997 0 1
4933 B 44.52400 186.00 148.02 1.0000 0.0000 5.37634E-03 0.7002 0 1
4934 B 44.53100 198.00 148.00 1.0000 0.0000 5.05051E-03 0.7002 0 1
4935 B 44.53800 189.00 147.97 1.0000 0.0000 5.29101E-03 0.6997 0 1
4936 B 44.54500 175.00 147.95 1.0000 0.0000 5.71429E-03 0.7002 0 1
4937 B 44.55200 170.00 147.93 1.0000 0.0000 5.88235E-03 0.6997 0 1
4938 B 44.55900 197.00 147.90 1.0000 0.0000 5.07614E-03 0.7002 0 1
4939 B 44.56600 175.00 147.88 1.0000 0.0000 5.71429E-03 0.7002 0 1
4940 B 44.57300 190.00 147.85 1.0000 0.0000 5.26316E-03 0.6997 0 1
4941 B 44.58000 164.00 147.83 1.0000 0.0000 6.09756E-03 0.7002 0 1
4942 B 44.58700 163.00 147.80 1.0000 0.0000 6.13497E-03 0.6997 0 1
4943 B 44.59400 166.00 147.78 1.0000 0.0000 6.02410E-03 0.7002 0 1
4944 B 44.60100 157.00 147.75 1.0000 0.0000 6.36943E-03 0.7002 0 1
4945 B 44.60800 170.00 147.73 1.0000 0.0000 5.88235E-03 0.6997 0 1
4946 B 44.61500 180.00 147.70 1.0000 0.0000 5.55556E-03 0.7002 0 1
4947 B 44.62200 164.00 147.68 1.0000 0.0000 6.09756E-03 0.6997 0 1
4948 B 44.62900 175.00 147.65 1.0000 0.0000 5.71429E-03 0.7002 0 1
4949 B 44.63600 160.00 147.63 1.0000 0.0000 6.25000E-03 0.7002 0 1
4950 B 44.64300 158.00 147.60 1.0000 0.0000 6.32911E-03 0.6997 0 1
4951 B 44.65000 153.00 147.58 1.0000 0.0000 6.53595E-03 0.7002 0 1
4952 B 44.65700 155.00 147.55 1.0000 0.0000 6.45161E-03 0.6997 0 1
4953 B 44.66400 152.00 147.53 1.0000 0.0000 6.57895E-03 0.7002 0 1
4954 B 44.67100 159.00 147.50 1.0000 0.0000 6.28931E-03 0.7002 0 1
4955 B 44.67800 168.00 147.48 1.0000 0.0000 5.95238E-03 0.6997 0 1
4956 B 44.68500 163.00 147.45 1.0000 0.0000 6.13497E-03 0.7002 0 1
4957 B 44.69200 142.00 147.43 1.0000 0.0000 7.04225E-03 0.6997 0 1
4958 B 44.69900 156.00 147.40 1.0000 0.0000 6.41026E-03 0.7002 0 1
4959 B 44.70600 157.00 147.38 1.0000 0.0000 6.36943E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 89
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
4960 B 44.71300 143.00 147.35 1.0000 0.0000 6.99301E-03 0.6997 0 1
4961 B 44.72000 142.00 147.33 1.0000 0.0000 7.04225E-03 0.7002 0 1
4962 B 44.72700 132.00 147.30 1.0000 0.0000 7.57576E-03 0.6997 0 1
4963 B 44.73400 134.00 147.28 1.0000 0.0000 7.46269E-03 0.7002 0 1
4964 B 44.74100 159.00 147.25 1.0000 0.0000 6.28931E-03 0.7002 0 1
4965 B 44.74800 135.00 147.23 1.0000 0.0000 7.40741E-03 0.6997 0 1
4966 B 44.75500 149.00 147.20 1.0000 0.0000 6.71141E-03 0.7002 0 1
4967 B 44.76200 148.00 147.18 1.0000 0.0000 6.75676E-03 0.6997 0 1
4968 B 44.76900 157.00 147.16 1.0000 0.0000 6.36943E-03 0.7002 0 1
4969 B 44.77600 156.00 147.13 1.0000 0.0000 6.41026E-03 0.7002 0 1
4970 B 44.78300 147.00 147.11 1.0000 0.0000 6.80272E-03 0.6997 0 1
4971 B 44.79000 150.00 147.08 1.0000 0.0000 6.66667E-03 0.7002 0 1
4972 B 44.79700 140.00 147.06 1.0000 0.0000 7.14286E-03 0.6997 0 1
4973 B 44.80400 145.00 147.03 1.0000 0.0000 6.89655E-03 0.7002 0 1
4974 B 44.81100 132.00 147.01 1.0000 0.0000 7.57576E-03 0.7002 0 1
4975 B 44.81800 141.00 146.98 1.0000 0.0000 7.09220E-03 0.6997 0 1
4976 B 44.82500 140.00 146.96 1.0000 0.0000 7.14286E-03 0.7002 0 1
4977 B 44.83200 141.00 146.93 1.0000 0.0000 7.09220E-03 0.6997 0 1
4978 B 44.83900 140.00 146.91 1.0000 0.0000 7.14286E-03 0.7002 0 1
4979 B 44.84600 138.00 146.88 1.0000 0.0000 7.24638E-03 0.7002 0 1
4980 B 44.85300 134.00 146.86 1.0000 0.0000 7.46269E-03 0.6997 0 1
4981 B 44.86000 126.00 146.83 1.0000 0.0000 7.93651E-03 0.7002 0 1
4982 B 44.86700 150.00 146.81 1.0000 0.0000 6.66667E-03 0.6997 0 1
4983 B 44.87400 121.00 146.78 1.0000 0.0000 8.26446E-03 0.7002 0 1
4984 B 44.88100 156.00 146.76 1.0000 0.0000 6.41026E-03 0.7002 0 1
4985 B 44.88800 145.00 146.73 1.0000 0.0000 6.89655E-03 0.6997 0 1
4986 B 44.89500 123.00 146.71 1.0000 0.0000 8.13008E-03 0.7002 0 1
4987 B 44.90200 139.00 146.68 1.0000 0.0000 7.19424E-03 0.6997 0 1
4988 B 44.90900 135.00 146.66 1.0000 0.0000 7.40741E-03 0.7002 0 1
4989 B 44.91600 124.00 146.64 1.0000 0.0000 8.06452E-03 0.7002 0 1
4990 B 44.92300 133.00 146.61 1.0000 0.0000 7.51880E-03 0.6997 0 1
4991 B 44.93000 132.00 146.59 1.0000 0.0000 7.57576E-03 0.7002 0 1
4992 B 44.93700 131.00 146.56 1.0000 0.0000 7.63359E-03 0.6997 0 1
4993 B 44.94400 133.00 146.54 1.0000 0.0000 7.51880E-03 0.7002 0 1
4994 B 44.95100 137.00 146.51 1.0000 0.0000 7.29927E-03 0.7002 0 1
4995 B 44.95800 147.00 146.49 1.0000 0.0000 6.80272E-03 0.6997 0 1
4996 B 44.96500 139.00 146.46 1.0000 0.0000 7.19424E-03 0.7002 0 1
4997 B 44.97200 125.00 146.44 1.0000 0.0000 8.00000E-03 0.6997 0 1
4998 B 44.97900 115.00 146.41 1.0000 0.0000 8.69565E-03 0.7002 0 1
4999 B 44.98600 134.00 146.39 1.0000 0.0000 7.46269E-03 0.7002 0 1
5000 B 44.99300 130.00 146.36 1.0000 0.0000 7.69231E-03 0.6997 0 1
5001 B 45.00000 132.00 146.34 1.0000 0.0000 7.57576E-03 0.7002 0 1
5002 B 45.00700 133.00 146.31 1.0000 0.0000 7.51880E-03 0.6997 0 1
5003 B 45.01400 135.00 146.29 1.0000 0.0000 7.40741E-03 0.7002 0 1
5004 B 45.02100 126.00 146.26 1.0000 0.0000 7.93651E-03 0.7002 0 1
5005 B 45.02800 131.00 146.24 1.0000 0.0000 7.63359E-03 0.6997 0 1
5006 B 45.03500 137.00 146.22 1.0000 0.0000 7.29927E-03 0.7002 0 1
5007 B 45.04200 132.00 146.19 1.0000 0.0000 7.57576E-03 0.6997 0 1
5008 B 45.04900 129.00 146.17 1.0000 0.0000 7.75194E-03 0.7002 0 1
5009 B 45.05600 134.00 146.14 1.0000 0.0000 7.46269E-03 0.7002 0 1
5010 B 45.06300 134.00 146.12 1.0000 0.0000 7.46269E-03 0.6997 0 1
5011 B 45.07000 119.00 146.09 1.0000 0.0000 8.40336E-03 0.7002 0 1
5012 B 45.07700 137.00 146.07 1.0000 0.0000 7.29927E-03 0.6997 0 1
5013 B 45.08400 130.00 146.04 1.0000 0.0000 7.69231E-03 0.7002 0 1
5014 B 45.09100 130.00 146.02 1.0000 0.0000 7.69231E-03 0.7002 0 1
5015 B 45.09800 130.00 145.99 1.0000 0.0000 7.69231E-03 0.6997 0 1
5016 B 45.10500 117.00 145.97 1.0000 0.0000 8.54701E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 90
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5017 B 45.11200 116.00 145.94 1.0000 0.0000 8.62069E-03 0.6997 0 1
5018 B 45.11900 126.00 145.92 1.0000 0.0000 7.93651E-03 0.7002 0 1
5019 B 45.12600 142.00 145.89 1.0000 0.0000 7.04225E-03 0.7002 0 1
5020 B 45.13300 136.00 145.87 1.0000 0.0000 7.35294E-03 0.6997 0 1
5021 B 45.14000 113.00 145.85 1.0000 0.0000 8.84956E-03 0.7002 0 1
5022 B 45.14700 124.00 145.82 1.0000 0.0000 8.06452E-03 0.6997 0 1
5023 B 45.15400 129.00 145.80 1.0000 0.0000 7.75194E-03 0.7002 0 1
5024 B 45.16100 121.00 145.77 1.0000 0.0000 8.26446E-03 0.7002 0 1
5025 B 45.16800 142.00 145.75 1.0000 0.0000 7.04225E-03 0.6997 0 1
5026 B 45.17500 131.00 145.72 1.0000 0.0000 7.63359E-03 0.7002 0 1
5027 B 45.18200 117.00 145.70 1.0000 0.0000 8.54701E-03 0.6997 0 1
5028 B 45.18900 126.00 145.67 1.0000 0.0000 7.93651E-03 0.7002 0 1
5029 B 45.19600 117.00 145.65 1.0000 0.0000 8.54701E-03 0.7002 0 1
5030 B 45.20300 126.00 145.62 1.0000 0.0000 7.93651E-03 0.6997 0 1
5031 B 45.21000 125.00 145.60 1.0000 0.0000 8.00000E-03 0.7002 0 1
5032 B 45.21700 124.00 145.57 1.0000 0.0000 8.06452E-03 0.6997 0 1
5033 B 45.22400 121.00 145.55 1.0000 0.0000 8.26446E-03 0.7002 0 1
5034 B 45.23100 132.00 145.53 1.0000 0.0000 7.57576E-03 0.7002 0 1
5035 B 45.23800 113.00 145.50 1.0000 0.0000 8.84956E-03 0.6997 0 1
5036 B 45.24500 126.00 145.48 1.0000 0.0000 7.93651E-03 0.7002 0 1
5037 B 45.25200 125.00 145.45 1.0000 0.0000 8.00000E-03 0.6997 0 1
5038 B 45.25900 104.00 145.43 1.0000 0.0000 9.61538E-03 0.7002 0 1
5039 B 45.26600 109.00 145.40 1.0000 0.0000 9.17431E-03 0.7002 0 1
5040 B 45.27300 121.00 145.38 1.0000 0.0000 8.26446E-03 0.6997 0 1
5041 B 45.28000 90.000 145.35 1.0000 0.0000 1.11111E-02 0.7002 0 1
5042 B 45.28700 115.00 145.33 1.0000 0.0000 8.69565E-03 0.6997 0 1
5043 B 45.29400 116.00 145.30 1.0000 0.0000 8.62069E-03 0.7002 0 1
5044 B 45.30100 122.00 145.28 1.0000 0.0000 8.19672E-03 0.7002 0 1
5045 B 45.30800 104.00 145.26 1.0000 0.0000 9.61538E-03 0.6997 0 1
5046 B 45.31500 121.00 145.23 1.0000 0.0000 8.26446E-03 0.7002 0 1
5047 B 45.32200 124.00 145.21 1.0000 0.0000 8.06452E-03 0.6997 0 1
5048 B 45.32900 116.00 145.18 1.0000 0.0000 8.62069E-03 0.7002 0 1
5049 B 45.33600 118.00 145.16 1.0000 0.0000 8.47458E-03 0.7002 0 1
5050 B 45.34300 117.00 145.13 1.0000 0.0000 8.54701E-03 0.6997 0 1
5051 B 45.35000 138.00 145.11 1.0000 0.0000 7.24638E-03 0.7002 0 1
5052 B 45.35700 130.00 145.08 1.0000 0.0000 7.69231E-03 0.6997 0 1
5053 B 45.36400 127.00 145.06 1.0000 0.0000 7.87402E-03 0.7002 0 1
5054 B 45.37100 130.00 145.03 1.0000 0.0000 7.69231E-03 0.7002 0 1
5055 B 45.37800 118.00 145.01 1.0000 0.0000 8.47458E-03 0.6997 0 1
5056 B 45.38500 136.00 144.99 1.0000 0.0000 7.35294E-03 0.7002 0 1
5057 B 45.39200 118.00 144.96 1.0000 0.0000 8.47458E-03 0.6997 0 1
5058 B 45.39900 103.00 144.94 1.0000 0.0000 9.70874E-03 0.7002 0 1
5059 B 45.40600 126.00 144.91 1.0000 0.0000 7.93651E-03 0.7002 0 1
5060 B 45.41300 124.00 144.89 1.0000 0.0000 8.06452E-03 0.6997 0 1
5061 B 45.42000 106.00 144.86 1.0000 0.0000 9.43396E-03 0.7002 0 1
5062 B 45.42700 121.00 144.84 1.0000 0.0000 8.26446E-03 0.6997 0 1
5063 B 45.43400 126.00 144.81 1.0000 0.0000 7.93651E-03 0.7002 0 1
5064 B 45.44100 127.00 144.79 1.0000 0.0000 7.87402E-03 0.7002 0 1
5065 B 45.44800 114.00 144.76 1.0000 0.0000 8.77193E-03 0.6997 0 1
5066 B 45.45500 120.00 144.74 1.0000 0.0000 8.33333E-03 0.7002 0 1
5067 B 45.46200 118.00 144.72 1.0000 0.0000 8.47458E-03 0.6997 0 1
5068 B 45.46900 122.00 144.69 1.0000 0.0000 8.19672E-03 0.7002 0 1
5069 B 45.47600 127.00 144.67 1.0000 0.0000 7.87402E-03 0.7002 0 1
5070 B 45.48300 132.00 144.64 1.0000 0.0000 7.57576E-03 0.6997 0 1
5071 B 45.49000 117.00 144.62 1.0000 0.0000 8.54701E-03 0.7002 0 1
5072 B 45.49700 121.00 144.59 1.0000 0.0000 8.26446E-03 0.6997 0 1
5073 B 45.50400 101.00 144.57 1.0000 0.0000 9.90099E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 91
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5074 B 45.51100 123.00 144.54 1.0000 0.0000 8.13008E-03 0.7002 0 1
5075 B 45.51800 120.00 144.52 1.0000 0.0000 8.33333E-03 0.6997 0 1
5076 B 45.52500 94.000 144.50 1.0000 0.0000 1.06383E-02 0.7002 0 1
5077 B 45.53200 119.00 144.47 1.0000 0.0000 8.40336E-03 0.6997 0 1
5078 B 45.53900 131.00 144.45 1.0000 0.0000 7.63359E-03 0.7002 0 1
5079 B 45.54600 124.00 144.42 1.0000 0.0000 8.06452E-03 0.7002 0 1
5080 B 45.55300 122.00 144.40 1.0000 0.0000 8.19672E-03 0.6997 0 1
5081 B 45.56000 104.00 144.37 1.0000 0.0000 9.61538E-03 0.7002 0 1
5082 B 45.56700 111.00 144.35 1.0000 0.0000 9.00901E-03 0.6997 0 1
5083 B 45.57400 120.00 144.32 1.0000 0.0000 8.33333E-03 0.7002 0 1
5084 B 45.58100 125.00 144.30 1.0000 0.0000 8.00000E-03 0.7002 0 1
5085 B 45.58800 132.00 144.28 1.0000 0.0000 7.57576E-03 0.6997 0 1
5086 B 45.59500 112.00 144.25 1.0000 0.0000 8.92857E-03 0.7002 0 1
5087 B 45.60200 98.000 144.23 1.0000 0.0000 1.02041E-02 0.6997 0 1
5088 B 45.60900 123.00 144.20 1.0000 0.0000 8.13008E-03 0.7002 0 1
5089 B 45.61600 119.00 144.18 1.0000 0.0000 8.40336E-03 0.7002 0 1
5090 B 45.62300 112.00 144.15 1.0000 0.0000 8.92857E-03 0.6997 0 1
5091 B 45.63000 109.00 144.13 1.0000 0.0000 9.17431E-03 0.7002 0 1
5092 B 45.63700 122.00 144.10 1.0000 0.0000 8.19672E-03 0.6997 0 1
5093 B 45.64400 116.00 144.08 1.0000 0.0000 8.62069E-03 0.7002 0 1
5094 B 45.65100 127.00 144.06 1.0000 0.0000 7.87402E-03 0.7002 0 1
5095 B 45.65800 104.00 144.03 1.0000 0.0000 9.61538E-03 0.6997 0 1
5096 B 45.66500 119.00 144.01 1.0000 0.0000 8.40336E-03 0.7002 0 1
5097 B 45.67200 130.00 143.98 1.0000 0.0000 7.69231E-03 0.6997 0 1
5098 B 45.67900 118.00 143.96 1.0000 0.0000 8.47458E-03 0.7002 0 1
5099 B 45.68600 114.00 143.93 1.0000 0.0000 8.77193E-03 0.7002 0 1
5100 B 45.69300 109.00 143.91 1.0000 0.0000 9.17431E-03 0.6997 0 1
5101 B 45.70000 115.00 143.89 1.0000 0.0000 8.69565E-03 0.7002 0 1
5102 B 45.70700 116.00 143.86 1.0000 0.0000 8.62069E-03 0.6997 0 1
5103 B 45.71400 113.00 143.84 1.0000 0.0000 8.84956E-03 0.7002 0 1
5104 B 45.72100 97.000 143.81 1.0000 0.0000 1.03093E-02 0.7002 0 1
5105 B 45.72800 112.00 143.79 1.0000 0.0000 8.92857E-03 0.6997 0 1
5106 B 45.73500 105.00 143.76 1.0000 0.0000 9.52381E-03 0.7002 0 1
5107 B 45.74200 129.00 143.74 1.0000 0.0000 7.75194E-03 0.6997 0 1
5108 B 45.74900 122.00 143.71 1.0000 0.0000 8.19672E-03 0.7002 0 1
5109 B 45.75600 112.00 143.69 1.0000 0.0000 8.92857E-03 0.7002 0 1
5110 B 45.76300 118.00 143.67 1.0000 0.0000 8.47458E-03 0.6997 0 1
5111 B 45.77000 120.00 143.64 1.0000 0.0000 8.33333E-03 0.7002 0 1
5112 B 45.77700 132.00 143.62 1.0000 0.0000 7.57576E-03 0.6997 0 1
5113 B 45.78400 124.00 143.59 1.0000 0.0000 8.06452E-03 0.7002 0 1
5114 B 45.79100 118.00 143.57 1.0000 0.0000 8.47458E-03 0.7002 0 1
5115 B 45.79800 105.00 143.54 1.0000 0.0000 9.52381E-03 0.6997 0 1
5116 B 45.80500 110.00 143.52 1.0000 0.0000 9.09091E-03 0.7002 0 1
5117 B 45.81200 133.00 143.50 1.0000 0.0000 7.51880E-03 0.6997 0 1
5118 B 45.81900 119.00 143.47 1.0000 0.0000 8.40336E-03 0.7002 0 1
5119 B 45.82600 113.00 143.45 1.0000 0.0000 8.84956E-03 0.7002 0 1
5120 B 45.83300 121.00 143.42 1.0000 0.0000 8.26446E-03 0.6997 0 1
5121 B 45.84000 108.00 143.40 1.0000 0.0000 9.25926E-03 0.7002 0 1
5122 B 45.84700 115.00 143.37 1.0000 0.0000 8.69565E-03 0.6997 0 1
5123 B 45.85400 124.00 143.35 1.0000 0.0000 8.06452E-03 0.7002 0 1
5124 B 45.86100 129.00 143.33 1.0000 0.0000 7.75194E-03 0.7002 0 1
5125 B 45.86800 123.00 143.30 1.0000 0.0000 8.13008E-03 0.6997 0 1
5126 B 45.87500 114.00 143.28 1.0000 0.0000 8.77193E-03 0.7002 0 1
5127 B 45.88200 113.00 143.25 1.0000 0.0000 8.84956E-03 0.6997 0 1
5128 B 45.88900 107.00 143.23 1.0000 0.0000 9.34579E-03 0.7002 0 1
5129 B 45.89600 116.00 143.20 1.0000 0.0000 8.62069E-03 0.7002 0 1
5130 B 45.90300 112.00 143.18 1.0000 0.0000 8.92857E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 92
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5131 B 45.91000 119.00 143.16 1.0000 0.0000 8.40336E-03 0.7002 0 1
5132 B 45.91700 111.00 143.13 1.0000 0.0000 9.00901E-03 0.6997 0 1
5133 B 45.92400 107.00 143.11 1.0000 0.0000 9.34579E-03 0.7002 0 1
5134 B 45.93100 132.00 143.08 1.0000 0.0000 7.57576E-03 0.7002 0 1
5135 B 45.93800 93.000 143.06 1.0000 0.0000 1.07527E-02 0.6997 0 1
5136 B 45.94500 122.00 143.03 1.0000 0.0000 8.19672E-03 0.7002 0 1
5137 B 45.95200 126.00 143.01 1.0000 0.0000 7.93651E-03 0.6997 0 1
5138 B 45.95900 130.00 142.99 1.0000 0.0000 7.69231E-03 0.7002 0 1
5139 B 45.96600 107.00 142.96 1.0000 0.0000 9.34579E-03 0.7002 0 1
5140 B 45.97300 98.000 142.94 1.0000 0.0000 1.02041E-02 0.6997 0 1
5141 B 45.98000 110.00 142.91 1.0000 0.0000 9.09091E-03 0.7002 0 1
5142 B 45.98700 117.00 142.89 1.0000 0.0000 8.54701E-03 0.6997 0 1
5143 B 45.99400 106.00 142.86 1.0000 0.0000 9.43396E-03 0.7002 0 1
5144 B 46.00100 114.00 142.84 1.0000 0.0000 8.77193E-03 0.7002 0 1
5145 B 46.00800 117.00 142.82 1.0000 0.0000 8.54701E-03 0.6997 0 1
5146 B 46.01500 117.00 142.79 1.0000 0.0000 8.54701E-03 0.7002 0 1
5147 B 46.02200 105.00 142.77 1.0000 0.0000 9.52381E-03 0.6997 0 1
5148 B 46.02900 115.00 142.74 1.0000 0.0000 8.69565E-03 0.7002 0 1
5149 B 46.03600 120.00 142.72 1.0000 0.0000 8.33333E-03 0.7002 0 1
5150 B 46.04300 116.00 142.69 1.0000 0.0000 8.62069E-03 0.6997 0 1
5151 B 46.05000 95.000 142.67 1.0000 0.0000 1.05263E-02 0.7002 0 1
5152 B 46.05700 122.00 142.65 1.0000 0.0000 8.19672E-03 0.6997 0 1
5153 B 46.06400 106.00 142.62 1.0000 0.0000 9.43396E-03 0.7002 0 1
5154 B 46.07100 127.00 142.60 1.0000 0.0000 7.87402E-03 0.7002 0 1
5155 B 46.07800 129.00 142.57 1.0000 0.0000 7.75194E-03 0.6997 0 1
5156 B 46.08500 119.00 142.55 1.0000 0.0000 8.40336E-03 0.7002 0 1
5157 B 46.09200 118.00 142.52 1.0000 0.0000 8.47458E-03 0.6997 0 1
5158 B 46.09900 123.00 142.50 1.0000 0.0000 8.13008E-03 0.7002 0 1
5159 B 46.10600 109.00 142.48 1.0000 0.0000 9.17431E-03 0.7002 0 1
5160 B 46.11300 112.00 142.45 1.0000 0.0000 8.92857E-03 0.6997 0 1
5161 B 46.12000 118.00 142.43 1.0000 0.0000 8.47458E-03 0.7002 0 1
5162 B 46.12700 117.00 142.40 1.0000 0.0000 8.54701E-03 0.6997 0 1
5163 B 46.13400 111.00 142.38 1.0000 0.0000 9.00901E-03 0.7002 0 1
5164 B 46.14100 124.00 142.36 1.0000 0.0000 8.06452E-03 0.7002 0 1
5165 B 46.14800 119.00 142.33 1.0000 0.0000 8.40336E-03 0.6997 0 1
5166 B 46.15500 118.00 142.31 1.0000 0.0000 8.47458E-03 0.7002 0 1
5167 B 46.16200 126.00 142.28 1.0000 0.0000 7.93651E-03 0.6997 0 1
5168 B 46.16900 109.00 142.26 1.0000 0.0000 9.17431E-03 0.7002 0 1
5169 B 46.17600 126.00 142.23 1.0000 0.0000 7.93651E-03 0.7002 0 1
5170 B 46.18300 121.00 142.21 1.0000 0.0000 8.26446E-03 0.6997 0 1
5171 B 46.19000 139.00 142.19 1.0000 0.0000 7.19424E-03 0.7002 0 1
5172 B 46.19700 124.00 142.16 1.0000 0.0000 8.06452E-03 0.6997 0 1
5173 B 46.20400 112.00 142.14 1.0000 0.0000 8.92857E-03 0.7002 0 1
5174 B 46.21100 121.00 142.11 1.0000 0.0000 8.26446E-03 0.7002 0 1
5175 B 46.21800 117.00 142.09 1.0000 0.0000 8.54701E-03 0.6997 0 1
5176 B 46.22500 114.00 142.07 1.0000 0.0000 8.77193E-03 0.7002 0 1
5177 B 46.23200 115.00 142.04 1.0000 0.0000 8.69565E-03 0.6997 0 1
5178 B 46.23900 112.00 142.02 1.0000 0.0000 8.92857E-03 0.7002 0 1
5179 B 46.24600 120.00 141.99 1.0000 0.0000 8.33333E-03 0.7002 0 1
5180 B 46.25300 118.00 141.97 1.0000 0.0000 8.47458E-03 0.6997 0 1
5181 B 46.26000 122.00 141.94 1.0000 0.0000 8.19672E-03 0.7002 0 1
5182 B 46.26700 135.00 141.92 1.0000 0.0000 7.40741E-03 0.6997 0 1
5183 B 46.27400 112.00 141.90 1.0000 0.0000 8.92857E-03 0.7002 0 1
5184 B 46.28100 112.00 141.87 1.0000 0.0000 8.92857E-03 0.7002 0 1
5185 B 46.28800 99.000 141.85 1.0000 0.0000 1.01010E-02 0.6997 0 1
5186 B 46.29500 115.00 141.82 1.0000 0.0000 8.69565E-03 0.7002 0 1
5187 B 46.30200 112.00 141.80 1.0000 0.0000 8.92857E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 93
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5188 B 46.30900 104.00 141.78 1.0000 0.0000 9.61538E-03 0.7002 0 1
5189 B 46.31600 117.00 141.75 1.0000 0.0000 8.54701E-03 0.7002 0 1
5190 B 46.32300 118.00 141.73 1.0000 0.0000 8.47458E-03 0.6997 0 1
5191 B 46.33000 118.00 141.70 1.0000 0.0000 8.47458E-03 0.7002 0 1
5192 B 46.33700 122.00 141.68 1.0000 0.0000 8.19672E-03 0.6997 0 1
5193 B 46.34400 119.00 141.66 1.0000 0.0000 8.40336E-03 0.7002 0 1
5194 B 46.35100 114.00 141.63 1.0000 0.0000 8.77193E-03 0.7002 0 1
5195 B 46.35800 111.00 141.61 1.0000 0.0000 9.00901E-03 0.6997 0 1
5196 B 46.36500 126.00 141.58 1.0000 0.0000 7.93651E-03 0.7002 0 1
5197 B 46.37200 129.00 141.56 1.0000 0.0000 7.75194E-03 0.6997 0 1
5198 B 46.37900 125.00 141.53 1.0000 0.0000 8.00000E-03 0.7002 0 1
5199 B 46.38600 123.00 141.51 1.0000 0.0000 8.13008E-03 0.7002 0 1
5200 B 46.39300 120.00 141.49 1.0000 0.0000 8.33333E-03 0.6997 0 1
5201 B 46.40000 120.00 141.46 1.0000 0.0000 8.33333E-03 0.7002 0 1
5202 B 46.40700 136.00 141.44 1.0000 0.0000 7.35294E-03 0.6997 0 1
5203 B 46.41400 137.00 141.41 1.0000 0.0000 7.29927E-03 0.7002 0 1
5204 B 46.42100 124.00 141.39 1.0000 0.0000 8.06452E-03 0.7002 0 1
5205 B 46.42800 127.00 141.37 1.0000 0.0000 7.87402E-03 0.6997 0 1
5206 B 46.43500 130.00 141.34 1.0000 0.0000 7.69231E-03 0.7002 0 1
5207 B 46.44200 135.00 141.32 1.0000 0.0000 7.40741E-03 0.6997 0 1
5208 B 46.44900 117.00 141.29 1.0000 0.0000 8.54701E-03 0.7002 0 1
5209 B 46.45600 127.00 141.27 1.0000 0.0000 7.87402E-03 0.7002 0 1
5210 B 46.46300 140.00 141.25 1.0000 0.0000 7.14286E-03 0.6997 0 1
5211 B 46.47000 138.00 141.22 1.0000 0.0000 7.24638E-03 0.7002 0 1
5212 B 46.47700 115.00 141.20 1.0000 0.0000 8.69565E-03 0.6997 0 1
5213 B 46.48400 129.00 141.17 1.0000 0.0000 7.75194E-03 0.7002 0 1
5214 B 46.49100 107.00 141.15 1.0000 0.0000 9.34579E-03 0.7002 0 1
5215 B 46.49800 129.00 141.13 1.0000 0.0000 7.75194E-03 0.6997 0 1
5216 B 46.50500 121.00 141.10 1.0000 0.0000 8.26446E-03 0.7002 0 1
5217 B 46.51200 111.00 141.08 1.0000 0.0000 9.00901E-03 0.6997 0 1
5218 B 46.51900 126.00 141.05 1.0000 0.0000 7.93651E-03 0.7002 0 1
5219 B 46.52600 126.00 141.03 1.0000 0.0000 7.93651E-03 0.7002 0 1
5220 B 46.53300 122.00 141.01 1.0000 0.0000 8.19672E-03 0.6997 0 1
5221 B 46.54000 116.00 140.98 1.0000 0.0000 8.62069E-03 0.7002 0 1
5222 B 46.54700 127.00 140.96 1.0000 0.0000 7.87402E-03 0.6997 0 1
5223 B 46.55400 129.00 140.93 1.0000 0.0000 7.75194E-03 0.7002 0 1
5224 B 46.56100 114.00 140.91 1.0000 0.0000 8.77193E-03 0.7002 0 1
5225 B 46.56800 109.00 140.89 1.0000 0.0000 9.17431E-03 0.6997 0 1
5226 B 46.57500 120.00 140.86 1.0000 0.0000 8.33333E-03 0.7002 0 1
5227 B 46.58200 110.00 140.84 1.0000 0.0000 9.09091E-03 0.6997 0 1
5228 B 46.58900 108.00 140.81 1.0000 0.0000 9.25926E-03 0.7002 0 1
5229 B 46.59600 102.00 140.79 1.0000 0.0000 9.80392E-03 0.7002 0 1
5230 B 46.60300 122.00 140.77 1.0000 0.0000 8.19672E-03 0.6997 0 1
5231 B 46.61000 114.00 140.74 1.0000 0.0000 8.77193E-03 0.7002 0 1
5232 B 46.61700 125.00 140.72 1.0000 0.0000 8.00000E-03 0.6997 0 1
5233 B 46.62400 127.00 140.69 1.0000 0.0000 7.87402E-03 0.7002 0 1
5234 B 46.63100 129.00 140.67 1.0000 0.0000 7.75194E-03 0.7002 0 1
5235 B 46.63800 117.00 140.65 1.0000 0.0000 8.54701E-03 0.6997 0 1
5236 B 46.64500 126.00 140.62 1.0000 0.0000 7.93651E-03 0.7002 0 1
5237 B 46.65200 133.00 140.60 1.0000 0.0000 7.51880E-03 0.6997 0 1
5238 B 46.65900 123.00 140.57 1.0000 0.0000 8.13008E-03 0.7002 0 1
5239 B 46.66600 117.00 140.55 1.0000 0.0000 8.54701E-03 0.7002 0 1
5240 B 46.67300 134.00 140.53 1.0000 0.0000 7.46269E-03 0.6997 0 1
5241 B 46.68000 112.00 140.50 1.0000 0.0000 8.92857E-03 0.7002 0 1
5242 B 46.68700 128.00 140.48 1.0000 0.0000 7.81250E-03 0.6997 0 1
5243 B 46.69400 119.00 140.45 1.0000 0.0000 8.40336E-03 0.7002 0 1
5244 B 46.70100 137.00 140.43 1.0000 0.0000 7.29927E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 94
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5245 B 46.70800 134.00 140.41 1.0000 0.0000 7.46269E-03 0.6997 0 1
5246 B 46.71500 127.00 140.38 1.0000 0.0000 7.87402E-03 0.7002 0 1
5247 B 46.72200 131.00 140.36 1.0000 0.0000 7.63359E-03 0.6997 0 1
5248 B 46.72900 127.00 140.33 1.0000 0.0000 7.87402E-03 0.7002 0 1
5249 B 46.73600 117.00 140.31 1.0000 0.0000 8.54701E-03 0.7002 0 1
5250 B 46.74300 112.00 140.29 1.0000 0.0000 8.92857E-03 0.6997 0 1
5251 B 46.75000 125.00 140.26 1.0000 0.0000 8.00000E-03 0.7002 0 1
5252 B 46.75700 128.00 140.24 1.0000 0.0000 7.81250E-03 0.6997 0 1
5253 B 46.76400 134.00 140.21 1.0000 0.0000 7.46269E-03 0.7002 0 1
5254 B 46.77100 121.00 140.19 1.0000 0.0000 8.26446E-03 0.7002 0 1
5255 B 46.77800 114.00 140.17 1.0000 0.0000 8.77193E-03 0.6997 0 1
5256 B 46.78500 126.00 140.14 1.0000 0.0000 7.93651E-03 0.7002 0 1
5257 B 46.79200 117.00 140.12 1.0000 0.0000 8.54701E-03 0.6997 0 1
5258 B 46.79900 135.00 140.10 1.0000 0.0000 7.40741E-03 0.7002 0 1
5259 B 46.80600 116.00 140.07 1.0000 0.0000 8.62069E-03 0.7002 0 1
5260 B 46.81300 141.00 140.05 1.0000 0.0000 7.09220E-03 0.6997 0 1
5261 B 46.82000 124.00 140.02 1.0000 0.0000 8.06452E-03 0.7002 0 1
5262 B 46.82700 122.00 140.00 1.0000 0.0000 8.19672E-03 0.6997 0 1
5263 B 46.83400 139.00 139.98 1.0000 0.0000 7.19424E-03 0.7002 0 1
5264 B 46.84100 147.00 139.95 1.0000 0.0000 6.80272E-03 0.7002 0 1
5265 B 46.84800 134.00 139.93 1.0000 0.0000 7.46269E-03 0.6997 0 1
5266 B 46.85500 127.00 139.90 1.0000 0.0000 7.87402E-03 0.7002 0 1
5267 B 46.86200 131.00 139.88 1.0000 0.0000 7.63359E-03 0.6997 0 1
5268 B 46.86900 125.00 139.86 1.0000 0.0000 8.00000E-03 0.7002 0 1
5269 B 46.87600 124.00 139.83 1.0000 0.0000 8.06452E-03 0.7002 0 1
5270 B 46.88300 135.00 139.81 1.0000 0.0000 7.40741E-03 0.6997 0 1
5271 B 46.89000 126.00 139.78 1.0000 0.0000 7.93651E-03 0.7002 0 1
5272 B 46.89700 117.00 139.76 1.0000 0.0000 8.54701E-03 0.6997 0 1
5273 B 46.90400 139.00 139.74 1.0000 0.0000 7.19424E-03 0.7002 0 1
5274 B 46.91100 131.00 139.71 1.0000 0.0000 7.63359E-03 0.7002 0 1
5275 B 46.91800 104.00 139.69 1.0000 0.0000 9.61538E-03 0.6997 0 1
5276 B 46.92500 128.00 139.67 1.0000 0.0000 7.81250E-03 0.7002 0 1
5277 B 46.93200 128.00 139.64 1.0000 0.0000 7.81250E-03 0.6997 0 1
5278 B 46.93900 135.00 139.62 1.0000 0.0000 7.40741E-03 0.7002 0 1
5279 B 46.94600 138.00 139.59 1.0000 0.0000 7.24638E-03 0.7002 0 1
5280 B 46.95300 131.00 139.57 1.0000 0.0000 7.63359E-03 0.6997 0 1
5281 B 46.96000 119.00 139.55 1.0000 0.0000 8.40336E-03 0.7002 0 1
5282 B 46.96700 125.00 139.52 1.0000 0.0000 8.00000E-03 0.6997 0 1
5283 B 46.97400 140.00 139.50 1.0000 0.0000 7.14286E-03 0.7002 0 1
5284 B 46.98100 125.00 139.47 1.0000 0.0000 8.00000E-03 0.7002 0 1
5285 B 46.98800 131.00 139.45 1.0000 0.0000 7.63359E-03 0.6997 0 1
5286 B 46.99500 143.00 139.43 1.0000 0.0000 6.99301E-03 0.7002 0 1
5287 B 47.00200 144.00 139.40 1.0000 0.0000 6.94444E-03 0.6997 0 1
5288 B 47.00900 134.00 139.38 1.0000 0.0000 7.46269E-03 0.7002 0 1
5289 B 47.01600 113.00 139.36 1.0000 0.0000 8.84956E-03 0.7002 0 1
5290 B 47.02300 139.00 139.33 1.0000 0.0000 7.19424E-03 0.6997 0 1
5291 B 47.03000 131.00 139.31 1.0000 0.0000 7.63359E-03 0.7002 0 1
5292 B 47.03700 122.00 139.28 1.0000 0.0000 8.19672E-03 0.6997 0 1
5293 B 47.04400 141.00 139.26 1.0000 0.0000 7.09220E-03 0.7002 0 1
5294 B 47.05100 145.00 139.24 1.0000 0.0000 6.89655E-03 0.7002 0 1
5295 B 47.05800 144.00 139.21 1.0000 0.0000 6.94444E-03 0.6997 0 1
5296 B 47.06500 144.00 139.19 1.0000 0.0000 6.94444E-03 0.7002 0 1
5297 B 47.07200 123.00 139.17 1.0000 0.0000 8.13008E-03 0.6997 0 1
5298 B 47.07900 127.00 139.14 1.0000 0.0000 7.87402E-03 0.7002 0 1
5299 B 47.08600 123.00 139.12 1.0000 0.0000 8.13008E-03 0.7002 0 1
5300 B 47.09300 127.00 139.09 1.0000 0.0000 7.87402E-03 0.6997 0 1
5301 B 47.10000 146.00 139.07 1.0000 0.0000 6.84932E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 95
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5302 B 47.10700 145.00 139.05 1.0000 0.0000 6.89655E-03 0.6997 0 1
5303 B 47.11400 152.00 139.02 1.0000 0.0000 6.57895E-03 0.7002 0 1
5304 B 47.12100 141.00 139.00 1.0000 0.0000 7.09220E-03 0.7002 0 1
5305 B 47.12800 138.00 138.98 1.0000 0.0000 7.24638E-03 0.6997 0 1
5306 B 47.13500 124.00 138.95 1.0000 0.0000 8.06452E-03 0.7002 0 1
5307 B 47.14200 156.00 138.93 1.0000 0.0000 6.41026E-03 0.6997 0 1
5308 B 47.14900 132.00 138.90 1.0000 0.0000 7.57576E-03 0.7002 0 1
5309 B 47.15600 143.00 138.88 1.0000 0.0000 6.99301E-03 0.7002 0 1
5310 B 47.16300 150.00 138.86 1.0000 0.0000 6.66667E-03 0.6997 0 1
5311 B 47.17000 153.00 138.83 1.0000 0.0000 6.53595E-03 0.7002 0 1
5312 B 47.17700 150.00 138.81 1.0000 0.0000 6.66667E-03 0.6997 0 1
5313 B 47.18400 140.00 138.79 1.0000 0.0000 7.14286E-03 0.7002 0 1
5314 B 47.19100 139.00 138.76 1.0000 0.0000 7.19424E-03 0.7002 0 1
5315 B 47.19800 147.00 138.74 1.0000 0.0000 6.80272E-03 0.6997 0 1
5316 B 47.20500 149.00 138.71 1.0000 0.0000 6.71141E-03 0.7002 0 1
5317 B 47.21200 144.00 138.69 1.0000 0.0000 6.94444E-03 0.6997 0 1
5318 B 47.21900 147.00 138.67 1.0000 0.0000 6.80272E-03 0.7002 0 1
5319 B 47.22600 125.00 138.64 1.0000 0.0000 8.00000E-03 0.7002 0 1
5320 B 47.23300 136.00 138.62 1.0000 0.0000 7.35294E-03 0.6997 0 1
5321 B 47.24000 136.00 138.60 1.0000 0.0000 7.35294E-03 0.7002 0 1
5322 B 47.24700 152.00 138.57 1.0000 0.0000 6.57895E-03 0.6997 0 1
5323 B 47.25400 136.00 138.55 1.0000 0.0000 7.35294E-03 0.7002 0 1
5324 B 47.26100 142.00 138.52 1.0000 0.0000 7.04225E-03 0.7002 0 1
5325 B 47.26800 137.00 138.50 1.0000 0.0000 7.29927E-03 0.6997 0 1
5326 B 47.27500 131.00 138.48 1.0000 0.0000 7.63359E-03 0.7002 0 1
5327 B 47.28200 132.00 138.45 1.0000 0.0000 7.57576E-03 0.6997 0 1
5328 B 47.28900 145.00 138.43 1.0000 0.0000 6.89655E-03 0.7002 0 1
5329 B 47.29600 156.00 138.41 1.0000 0.0000 6.41026E-03 0.7002 0 1
5330 B 47.30300 157.00 138.38 1.0000 0.0000 6.36943E-03 0.6997 0 1
5331 B 47.31000 153.00 138.36 1.0000 0.0000 6.53595E-03 0.7002 0 1
5332 B 47.31700 153.00 138.34 1.0000 0.0000 6.53595E-03 0.6997 0 1
5333 B 47.32400 157.00 138.31 1.0000 0.0000 6.36943E-03 0.7002 0 1
5334 B 47.33100 144.00 138.29 1.0000 0.0000 6.94444E-03 0.7002 0 1
5335 B 47.33800 134.00 138.26 1.0000 0.0000 7.46269E-03 0.6997 0 1
5336 B 47.34500 140.00 138.24 1.0000 0.0000 7.14286E-03 0.7002 0 1
5337 B 47.35200 127.00 138.22 1.0000 0.0000 7.87402E-03 0.6997 0 1
5338 B 47.35900 141.00 138.19 1.0000 0.0000 7.09220E-03 0.7002 0 1
5339 B 47.36600 146.00 138.17 1.0000 0.0000 6.84932E-03 0.7002 0 1
5340 B 47.37300 141.00 138.15 1.0000 0.0000 7.09220E-03 0.6997 0 1
5341 B 47.38000 144.00 138.12 1.0000 0.0000 6.94444E-03 0.7002 0 1
5342 B 47.38700 144.00 138.10 1.0000 0.0000 6.94444E-03 0.6997 0 1
5343 B 47.39400 167.00 138.07 1.0000 0.0000 5.98802E-03 0.7002 0 1
5344 B 47.40100 154.00 138.05 1.0000 0.0000 6.49351E-03 0.7002 0 1
5345 B 47.40800 158.00 138.03 1.0000 0.0000 6.32911E-03 0.6997 0 1
5346 B 47.41500 154.00 138.00 1.0000 0.0000 6.49351E-03 0.7002 0 1
5347 B 47.42200 135.00 137.98 1.0000 0.0000 7.40741E-03 0.6997 0 1
5348 B 47.42900 144.00 137.96 1.0000 0.0000 6.94444E-03 0.7002 0 1
5349 B 47.43600 150.00 137.93 1.0000 0.0000 6.66667E-03 0.7002 0 1
5350 B 47.44300 136.00 137.91 1.0000 0.0000 7.35294E-03 0.6997 0 1
5351 B 47.45000 127.00 137.89 1.0000 0.0000 7.87402E-03 0.7002 0 1
5352 B 47.45700 161.00 137.86 1.0000 0.0000 6.21118E-03 0.6997 0 1
5353 B 47.46400 147.00 137.84 1.0000 0.0000 6.80272E-03 0.7002 0 1
5354 B 47.47100 171.00 137.82 1.0000 0.0000 5.84795E-03 0.7002 0 1
5355 B 47.47800 154.00 137.79 1.0000 0.0000 6.49351E-03 0.6997 0 1
5356 B 47.48500 151.00 137.77 1.0000 0.0000 6.62252E-03 0.7002 0 1
5357 B 47.49200 154.00 137.74 1.0000 0.0000 6.49351E-03 0.6997 0 1
5358 B 47.49900 159.00 137.72 1.0000 0.0000 6.28931E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 96
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5359 B 47.50600 159.00 137.70 1.0000 0.0000 6.28931E-03 0.7002 0 1
5360 B 47.51300 158.00 137.67 1.0000 0.0000 6.32911E-03 0.6997 0 1
5361 B 47.52000 151.00 137.65 1.0000 0.0000 6.62252E-03 0.7002 0 1
5362 B 47.52700 138.00 137.63 1.0000 0.0000 7.24638E-03 0.6997 0 1
5363 B 47.53400 152.00 137.60 1.0000 0.0000 6.57895E-03 0.7002 0 1
5364 B 47.54100 152.00 137.58 1.0000 0.0000 6.57895E-03 0.7002 0 1
5365 B 47.54800 129.00 137.56 1.0000 0.0000 7.75194E-03 0.6997 0 1
5366 B 47.55500 152.00 137.53 1.0000 0.0000 6.57895E-03 0.7002 0 1
5367 B 47.56200 152.00 137.51 1.0000 0.0000 6.57895E-03 0.6997 0 1
5368 B 47.56900 140.00 137.49 1.0000 0.0000 7.14286E-03 0.7002 0 1
5369 B 47.57600 140.00 137.46 1.0000 0.0000 7.14286E-03 0.7002 0 1
5370 B 47.58300 142.00 137.44 1.0000 0.0000 7.04225E-03 0.6997 0 1
5371 B 47.59000 159.00 137.41 1.0000 0.0000 6.28931E-03 0.7002 0 1
5372 B 47.59700 157.00 137.39 1.0000 0.0000 6.36943E-03 0.6997 0 1
5373 B 47.60400 149.00 137.37 1.0000 0.0000 6.71141E-03 0.7002 0 1
5374 B 47.61100 146.00 137.34 1.0000 0.0000 6.84932E-03 0.7002 0 1
5375 B 47.61800 164.00 137.32 1.0000 0.0000 6.09756E-03 0.6997 0 1
5376 B 47.62500 156.00 137.30 1.0000 0.0000 6.41026E-03 0.7002 0 1
5377 B 47.63200 155.00 137.27 1.0000 0.0000 6.45161E-03 0.6997 0 1
5378 B 47.63900 155.00 137.25 1.0000 0.0000 6.45161E-03 0.7002 0 1
5379 B 47.64600 163.00 137.23 1.0000 0.0000 6.13497E-03 0.7002 0 1
5380 B 47.65300 135.00 137.20 1.0000 0.0000 7.40741E-03 0.6997 0 1
5381 B 47.66000 158.00 137.18 1.0000 0.0000 6.32911E-03 0.7002 0 1
5382 B 47.66700 134.00 137.16 1.0000 0.0000 7.46269E-03 0.6997 0 1
5383 B 47.67400 162.00 137.13 1.0000 0.0000 6.17284E-03 0.7002 0 1
5384 B 47.68100 149.00 137.11 1.0000 0.0000 6.71141E-03 0.7002 0 1
5385 B 47.68800 150.00 137.08 1.0000 0.0000 6.66667E-03 0.6997 0 1
5386 B 47.69500 150.00 137.06 1.0000 0.0000 6.66667E-03 0.7002 0 1
5387 B 47.70200 160.00 137.04 1.0000 0.0000 6.25000E-03 0.6997 0 1
5388 B 47.70900 166.00 137.01 1.0000 0.0000 6.02410E-03 0.7002 0 1
5389 B 47.71600 166.00 136.99 1.0000 0.0000 6.02410E-03 0.7002 0 1
5390 B 47.72300 167.00 136.97 1.0000 0.0000 5.98802E-03 0.6997 0 1
5391 B 47.73000 155.00 136.94 1.0000 0.0000 6.45161E-03 0.7002 0 1
5392 B 47.73700 160.00 136.92 1.0000 0.0000 6.25000E-03 0.6997 0 1
5393 B 47.74400 153.00 136.90 1.0000 0.0000 6.53595E-03 0.7002 0 1
5394 B 47.75100 163.00 136.87 1.0000 0.0000 6.13497E-03 0.7002 0 1
5395 B 47.75800 158.00 136.85 1.0000 0.0000 6.32911E-03 0.6997 0 1
5396 B 47.76500 167.00 136.83 1.0000 0.0000 5.98802E-03 0.7002 0 1
5397 B 47.77200 172.00 136.80 1.0000 0.0000 5.81395E-03 0.6997 0 1
5398 B 47.77900 162.00 136.78 1.0000 0.0000 6.17284E-03 0.7002 0 1
5399 B 47.78600 166.00 136.76 1.0000 0.0000 6.02410E-03 0.7002 0 1
5400 B 47.79300 178.00 136.73 1.0000 0.0000 5.61798E-03 0.6997 0 1
5401 B 47.80000 154.00 136.71 1.0000 0.0000 6.49351E-03 0.7002 0 1
5402 B 47.80700 152.00 136.69 1.0000 0.0000 6.57895E-03 0.6997 0 1
5403 B 47.81400 157.00 136.66 1.0000 0.0000 6.36943E-03 0.7002 0 1
5404 B 47.82100 169.00 136.64 1.0000 0.0000 5.91716E-03 0.7002 0 1
5405 B 47.82800 166.00 136.62 1.0000 0.0000 6.02410E-03 0.6997 0 1
5406 B 47.83500 175.00 136.59 1.0000 0.0000 5.71429E-03 0.7002 0 1
5407 B 47.84200 159.00 136.57 1.0000 0.0000 6.28931E-03 0.6997 0 1
5408 B 47.84900 165.00 136.55 1.0000 0.0000 6.06061E-03 0.7002 0 1
5409 B 47.85600 134.00 136.52 1.0000 0.0000 7.46269E-03 0.7002 0 1
5410 B 47.86300 174.00 136.50 1.0000 0.0000 5.74713E-03 0.6997 0 1
5411 B 47.87000 158.00 136.47 1.0000 0.0000 6.32911E-03 0.7002 0 1
5412 B 47.87700 181.00 136.45 1.0000 0.0000 5.52486E-03 0.6997 0 1
5413 B 47.88400 154.00 136.43 1.0000 0.0000 6.49351E-03 0.7002 0 1
5414 B 47.89100 165.00 136.40 1.0000 0.0000 6.06061E-03 0.7002 0 1
5415 B 47.89800 162.00 136.38 1.0000 0.0000 6.17284E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 97
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5416 B 47.90500 165.00 136.36 1.0000 0.0000 6.06061E-03 0.7002 0 1
5417 B 47.91200 173.00 136.33 1.0000 0.0000 5.78035E-03 0.6997 0 1
5418 B 47.91900 168.00 136.31 1.0000 0.0000 5.95238E-03 0.7002 0 1
5419 B 47.92600 168.00 136.29 1.0000 0.0000 5.95238E-03 0.7002 0 1
5420 B 47.93300 173.00 136.26 1.0000 0.0000 5.78035E-03 0.6997 0 1
5421 B 47.94000 165.00 136.24 1.0000 0.0000 6.06061E-03 0.7002 0 1
5422 B 47.94700 170.00 136.22 1.0000 0.0000 5.88235E-03 0.6997 0 1
5423 B 47.95400 168.00 136.19 1.0000 0.0000 5.95238E-03 0.7002 0 1
5424 B 47.96100 168.00 136.17 1.0000 0.0000 5.95238E-03 0.7002 0 1
5425 B 47.96800 178.00 136.15 1.0000 0.0000 5.61798E-03 0.6997 0 1
5426 B 47.97500 195.00 136.12 1.0000 0.0000 5.12821E-03 0.7002 0 1
5427 B 47.98200 176.00 136.10 1.0000 0.0000 5.68182E-03 0.6997 0 1
5428 B 47.98900 184.00 136.08 1.0000 0.0000 5.43478E-03 0.7002 0 1
5429 B 47.99600 173.00 136.05 1.0000 0.0000 5.78035E-03 0.7002 0 1
5430 B 48.00300 184.00 136.03 1.0000 0.0000 5.43478E-03 0.6997 0 1
5431 B 48.01000 163.00 136.01 1.0000 0.0000 6.13497E-03 0.7002 0 1
5432 B 48.01700 178.00 135.98 1.0000 0.0000 5.61798E-03 0.6997 0 1
5433 B 48.02400 189.00 135.96 1.0000 0.0000 5.29101E-03 0.7002 0 1
5434 B 48.03100 177.00 135.94 1.0000 0.0000 5.64972E-03 0.7002 0 1
5435 B 48.03800 186.00 135.91 1.0000 0.0000 5.37634E-03 0.6997 0 1
5436 B 48.04500 196.00 135.89 1.0000 0.0000 5.10204E-03 0.7002 0 1
5437 B 48.05200 188.00 135.87 1.0000 0.0000 5.31915E-03 0.6997 0 1
5438 B 48.05900 173.00 135.84 1.0000 0.0000 5.78035E-03 0.7002 0 1
5439 B 48.06600 177.00 135.82 1.0000 0.0000 5.64972E-03 0.7002 0 1
5440 B 48.07300 190.00 135.80 1.0000 0.0000 5.26316E-03 0.6997 0 1
5441 B 48.08000 187.00 135.77 1.0000 0.0000 5.34759E-03 0.7002 0 1
5442 B 48.08700 175.00 135.75 1.0000 0.0000 5.71429E-03 0.6997 0 1
5443 B 48.09400 186.00 135.73 1.0000 0.0000 5.37634E-03 0.7002 0 1
5444 B 48.10100 172.00 135.70 1.0000 0.0000 5.81395E-03 0.7002 0 1
5445 B 48.10800 193.00 135.68 1.0000 0.0000 5.18135E-03 0.6997 0 1
5446 B 48.11500 182.00 135.66 1.0000 0.0000 5.49451E-03 0.7002 0 1
5447 B 48.12200 191.00 135.63 1.0000 0.0000 5.23560E-03 0.6997 0 1
5448 B 48.12900 179.00 135.61 1.0000 0.0000 5.58659E-03 0.7002 0 1
5449 B 48.13600 191.00 135.59 1.0000 0.0000 5.23560E-03 0.7002 0 1
5450 B 48.14300 200.00 135.56 1.0000 0.0000 5.00000E-03 0.6997 0 1
5451 B 48.15000 197.00 135.54 1.0000 0.0000 5.07614E-03 0.7002 0 1
5452 B 48.15700 216.00 135.52 1.0000 0.0000 4.62963E-03 0.6997 0 1
5453 B 48.16400 199.00 135.49 1.0000 0.0000 5.02513E-03 0.7002 0 1
5454 B 48.17100 174.00 135.47 1.0000 0.0000 5.74713E-03 0.7002 0 1
5455 B 48.17800 188.00 135.45 1.0000 0.0000 5.31915E-03 0.6997 0 1
5456 B 48.18500 195.00 135.42 1.0000 0.0000 5.12821E-03 0.7002 0 1
5457 B 48.19200 181.00 135.40 1.0000 0.0000 5.52486E-03 0.6997 0 1
5458 B 48.19900 186.00 135.38 1.0000 0.0000 5.37634E-03 0.7002 0 1
5459 B 48.20600 187.00 135.35 1.0000 0.0000 5.34759E-03 0.7002 0 1
5460 B 48.21300 180.00 135.33 1.0000 0.0000 5.55556E-03 0.6997 0 1
5461 B 48.22000 187.00 135.31 1.0000 0.0000 5.34759E-03 0.7002 0 1
5462 B 48.22700 191.00 135.28 1.0000 0.0000 5.23560E-03 0.6997 0 1
5463 B 48.23400 186.00 135.26 1.0000 0.0000 5.37634E-03 0.7002 0 1
5464 B 48.24100 194.00 135.24 1.0000 0.0000 5.15464E-03 0.7002 0 1
5465 B 48.24800 196.00 135.21 1.0000 0.0000 5.10204E-03 0.6997 0 1
5466 B 48.25500 195.00 135.19 1.0000 0.0000 5.12821E-03 0.7002 0 1
5467 B 48.26200 203.00 135.17 1.0000 0.0000 4.92611E-03 0.6997 0 1
5468 B 48.26900 182.00 135.14 1.0000 0.0000 5.49451E-03 0.7002 0 1
5469 B 48.27600 202.00 135.12 1.0000 0.0000 4.95049E-03 0.7002 0 1
5470 B 48.28300 200.00 135.10 1.0000 0.0000 5.00000E-03 0.6997 0 1
5471 B 48.29000 181.00 135.07 1.0000 0.0000 5.52486E-03 0.7002 0 1
5472 B 48.29700 202.00 135.05 1.0000 0.0000 4.95049E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 98
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5473 B 48.30400 214.00 135.03 1.0000 0.0000 4.67290E-03 0.7002 0 1
5474 B 48.31100 213.00 135.00 1.0000 0.0000 4.69484E-03 0.7002 0 1
5475 B 48.31800 210.00 134.98 1.0000 0.0000 4.76190E-03 0.6997 0 1
5476 B 48.32500 216.00 134.96 1.0000 0.0000 4.62963E-03 0.7002 0 1
5477 B 48.33200 179.00 134.94 1.0000 0.0000 5.58659E-03 0.6997 0 1
5478 B 48.33900 186.00 134.91 1.0000 0.0000 5.37634E-03 0.7002 0 1
5479 B 48.34600 199.00 134.89 1.0000 0.0000 5.02513E-03 0.7002 0 1
5480 B 48.35300 214.00 134.87 1.0000 0.0000 4.67290E-03 0.6997 0 1
5481 B 48.36000 198.00 134.84 1.0000 0.0000 5.05051E-03 0.7002 0 1
5482 B 48.36700 205.00 134.82 1.0000 0.0000 4.87805E-03 0.6997 0 1
5483 B 48.37400 234.00 134.80 1.0000 0.0000 4.27350E-03 0.7002 0 1
5484 B 48.38100 213.00 134.77 1.0000 0.0000 4.69484E-03 0.7002 0 1
5485 B 48.38800 187.00 134.75 1.0000 0.0000 5.34759E-03 0.6997 0 1
5486 B 48.39500 212.00 134.73 1.0000 0.0000 4.71698E-03 0.7002 0 1
5487 B 48.40200 219.00 134.70 1.0000 0.0000 4.56621E-03 0.6997 0 1
5488 B 48.40900 205.00 134.68 1.0000 0.0000 4.87805E-03 0.7002 0 1
5489 B 48.41600 213.00 134.66 1.0000 0.0000 4.69484E-03 0.7002 0 1
5490 B 48.42300 210.00 134.63 1.0000 0.0000 4.76190E-03 0.6997 0 1
5491 B 48.43000 234.00 134.61 1.0000 0.0000 4.27350E-03 0.7002 0 1
5492 B 48.43700 208.00 134.59 1.0000 0.0000 4.80769E-03 0.6997 0 1
5493 B 48.44400 203.00 134.56 1.0000 0.0000 4.92611E-03 0.7002 0 1
5494 B 48.45100 214.00 134.54 1.0000 0.0000 4.67290E-03 0.7002 0 1
5495 B 48.45800 226.00 134.52 1.0000 0.0000 4.42478E-03 0.6997 0 1
5496 B 48.46500 219.00 134.49 1.0000 0.0000 4.56621E-03 0.7002 0 1
5497 B 48.47200 216.00 134.47 1.0000 0.0000 4.62963E-03 0.6997 0 1
5498 B 48.47900 213.00 134.45 1.0000 0.0000 4.69484E-03 0.7002 0 1
5499 B 48.48600 214.00 134.42 1.0000 0.0000 4.67290E-03 0.7002 0 1
5500 B 48.49300 218.00 134.40 1.0000 0.0000 4.58716E-03 0.6997 0 1
5501 B 48.50000 207.00 134.38 1.0000 0.0000 4.83092E-03 0.7002 0 1
5502 B 48.50700 205.00 134.36 1.0000 0.0000 4.87805E-03 0.6997 0 1
5503 B 48.51400 204.00 134.33 1.0000 0.0000 4.90196E-03 0.7002 0 1
5504 B 48.52100 214.00 134.31 1.0000 0.0000 4.67290E-03 0.7002 0 1
5505 B 48.52800 214.00 134.29 1.0000 0.0000 4.67290E-03 0.6997 0 1
5506 B 48.53500 231.00 134.26 1.0000 0.0000 4.32900E-03 0.7002 0 1
5507 B 48.54200 227.00 134.24 1.0000 0.0000 4.40529E-03 0.6997 0 1
5508 B 48.54900 211.00 134.22 1.0000 0.0000 4.73934E-03 0.7002 0 1
5509 B 48.55600 218.00 134.19 1.0000 0.0000 4.58716E-03 0.7002 0 1
5510 B 48.56300 240.00 134.17 1.0000 0.0000 4.16667E-03 0.6997 0 1
5511 B 48.57000 243.00 134.15 1.0000 0.0000 4.11523E-03 0.7002 0 1
5512 B 48.57700 230.00 134.12 1.0000 0.0000 4.34783E-03 0.6997 0 1
5513 B 48.58400 215.00 134.10 1.0000 0.0000 4.65116E-03 0.7002 0 1
5514 B 48.59100 203.00 134.08 1.0000 0.0000 4.92611E-03 0.7002 0 1
5515 B 48.59800 220.00 134.05 1.0000 0.0000 4.54545E-03 0.6997 0 1
5516 B 48.60500 222.00 134.03 1.0000 0.0000 4.50450E-03 0.7002 0 1
5517 B 48.61200 248.00 134.01 1.0000 0.0000 4.03226E-03 0.6997 0 1
5518 B 48.61900 213.00 133.99 1.0000 0.0000 4.69484E-03 0.7002 0 1
5519 B 48.62600 222.00 133.96 1.0000 0.0000 4.50450E-03 0.7002 0 1
5520 B 48.63300 211.00 133.94 1.0000 0.0000 4.73934E-03 0.6997 0 1
5521 B 48.64000 247.00 133.92 1.0000 0.0000 4.04858E-03 0.7002 0 1
5522 B 48.64700 218.00 133.89 1.0000 0.0000 4.58716E-03 0.6997 0 1
5523 B 48.65400 215.00 133.87 1.0000 0.0000 4.65116E-03 0.7002 0 1
5524 B 48.66100 218.00 133.85 1.0000 0.0000 4.58716E-03 0.7002 0 1
5525 B 48.66800 213.00 133.82 1.0000 0.0000 4.69484E-03 0.6997 0 1
5526 B 48.67500 233.00 133.80 1.0000 0.0000 4.29185E-03 0.7002 0 1
5527 B 48.68200 253.00 133.78 1.0000 0.0000 3.95257E-03 0.6997 0 1
5528 B 48.68900 244.00 133.75 1.0000 0.0000 4.09836E-03 0.7002 0 1
5529 B 48.69600 236.00 133.73 1.0000 0.0000 4.23729E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 99
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5530 B 48.70300 229.00 133.71 1.0000 0.0000 4.36681E-03 0.6997 0 1
5531 B 48.71000 227.00 133.69 1.0000 0.0000 4.40529E-03 0.7002 0 1
5532 B 48.71700 251.00 133.66 1.0000 0.0000 3.98406E-03 0.6997 0 1
5533 B 48.72400 225.00 133.64 1.0000 0.0000 4.44444E-03 0.7002 0 1
5534 B 48.73100 208.00 133.62 1.0000 0.0000 4.80769E-03 0.7002 0 1
5535 B 48.73800 222.00 133.59 1.0000 0.0000 4.50450E-03 0.6997 0 1
5536 B 48.74500 223.00 133.57 1.0000 0.0000 4.48431E-03 0.7002 0 1
5537 B 48.75200 223.00 133.55 1.0000 0.0000 4.48431E-03 0.6997 0 1
5538 B 48.75900 232.00 133.52 1.0000 0.0000 4.31034E-03 0.7002 0 1
5539 B 48.76600 235.00 133.50 1.0000 0.0000 4.25532E-03 0.7002 0 1
5540 B 48.77300 255.00 133.48 1.0000 0.0000 3.92157E-03 0.6997 0 1
5541 B 48.78000 241.00 133.46 1.0000 0.0000 4.14938E-03 0.7002 0 1
5542 B 48.78700 219.00 133.43 1.0000 0.0000 4.56621E-03 0.6997 0 1
5543 B 48.79400 232.00 133.41 1.0000 0.0000 4.31034E-03 0.7002 0 1
5544 B 48.80100 246.00 133.39 1.0000 0.0000 4.06504E-03 0.7002 0 1
5545 B 48.80800 242.00 133.36 1.0000 0.0000 4.13223E-03 0.6997 0 1
5546 B 48.81500 214.00 133.34 1.0000 0.0000 4.67290E-03 0.7002 0 1
5547 B 48.82200 245.00 133.32 1.0000 0.0000 4.08163E-03 0.6997 0 1
5548 B 48.82900 249.00 133.29 1.0000 0.0000 4.01606E-03 0.7002 0 1
5549 B 48.83600 245.00 133.27 1.0000 0.0000 4.08163E-03 0.7002 0 1
5550 B 48.84300 252.00 133.25 1.0000 0.0000 3.96825E-03 0.6997 0 1
5551 B 48.85000 248.00 133.22 1.0000 0.0000 4.03226E-03 0.7002 0 1
5552 B 48.85700 240.00 133.20 1.0000 0.0000 4.16667E-03 0.6997 0 1
5553 B 48.86400 235.00 133.18 1.0000 0.0000 4.25532E-03 0.7002 0 1
5554 B 48.87100 237.00 133.16 1.0000 0.0000 4.21941E-03 0.7002 0 1
5555 B 48.87800 247.00 133.13 1.0000 0.0000 4.04858E-03 0.6997 0 1
5556 B 48.88500 249.00 133.11 1.0000 0.0000 4.01606E-03 0.7002 0 1
5557 B 48.89200 247.00 133.09 1.0000 0.0000 4.04858E-03 0.6997 0 1
5558 B 48.89900 256.00 133.06 1.0000 0.0000 3.90625E-03 0.7002 0 1
5559 B 48.90600 242.00 133.04 1.0000 0.0000 4.13223E-03 0.7002 0 1
5560 B 48.91300 260.00 133.02 1.0000 0.0000 3.84615E-03 0.6997 0 1
5561 B 48.92000 251.00 133.00 1.0000 0.0000 3.98406E-03 0.7002 0 1
5562 B 48.92700 223.00 132.97 1.0000 0.0000 4.48431E-03 0.6997 0 1
5563 B 48.93400 254.00 132.95 1.0000 0.0000 3.93701E-03 0.7002 0 1
5564 B 48.94100 237.00 132.93 1.0000 0.0000 4.21941E-03 0.7002 0 1
5565 B 48.94800 264.00 132.90 1.0000 0.0000 3.78788E-03 0.6997 0 1
5566 B 48.95500 266.00 132.88 1.0000 0.0000 3.75940E-03 0.7002 0 1
5567 B 48.96200 263.00 132.86 1.0000 0.0000 3.80228E-03 0.6997 0 1
5568 B 48.96900 247.00 132.83 1.0000 0.0000 4.04858E-03 0.7002 0 1
5569 B 48.97600 259.00 132.81 1.0000 0.0000 3.86100E-03 0.7002 0 1
5570 B 48.98300 262.00 132.79 1.0000 0.0000 3.81679E-03 0.6997 0 1
5571 B 48.99000 261.00 132.77 1.0000 0.0000 3.83142E-03 0.7002 0 1
5572 B 48.99700 248.00 132.74 1.0000 0.0000 4.03226E-03 0.6997 0 1
5573 B 49.00400 251.00 132.72 1.0000 0.0000 3.98406E-03 0.7002 0 1
5574 B 49.01100 245.00 132.70 1.0000 0.0000 4.08163E-03 0.7002 0 1
5575 B 49.01800 256.00 132.67 1.0000 0.0000 3.90625E-03 0.6997 0 1
5576 B 49.02500 286.00 132.65 1.0000 0.0000 3.49650E-03 0.7002 0 1
5577 B 49.03200 250.00 132.63 1.0000 0.0000 4.00000E-03 0.6997 0 1
5578 B 49.03900 257.00 132.61 1.0000 0.0000 3.89105E-03 0.7002 0 1
5579 B 49.04600 247.00 132.58 1.0000 0.0000 4.04858E-03 0.7002 0 1
5580 B 49.05300 234.00 132.56 1.0000 0.0000 4.27350E-03 0.6997 0 1
5581 B 49.06000 253.00 132.54 1.0000 0.0000 3.95257E-03 0.7002 0 1
5582 B 49.06700 259.00 132.51 1.0000 0.0000 3.86100E-03 0.6997 0 1
5583 B 49.07400 272.00 132.49 1.0000 0.0000 3.67647E-03 0.7002 0 1
5584 B 49.08100 254.00 132.47 1.0000 0.0000 3.93701E-03 0.7002 0 1
5585 B 49.08800 237.00 132.44 1.0000 0.0000 4.21941E-03 0.6997 0 1
5586 B 49.09500 242.00 132.42 1.0000 0.0000 4.13223E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 100
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5587 B 49.10200 260.00 132.40 1.0000 0.0000 3.84615E-03 0.6997 0 1
5588 B 49.10900 277.00 132.38 1.0000 0.0000 3.61011E-03 0.7002 0 1
5589 B 49.11600 288.00 132.35 1.0000 0.0000 3.47222E-03 0.7002 0 1
5590 B 49.12300 277.00 132.33 1.0000 0.0000 3.61011E-03 0.6997 0 1
5591 B 49.13000 269.00 132.31 1.0000 0.0000 3.71747E-03 0.7002 0 1
5592 B 49.13700 264.00 132.28 1.0000 0.0000 3.78788E-03 0.6997 0 1
5593 B 49.14400 246.00 132.26 1.0000 0.0000 4.06504E-03 0.7002 0 1
5594 B 49.15100 229.00 132.24 1.0000 0.0000 4.36681E-03 0.7002 0 1
5595 B 49.15800 234.00 132.22 1.0000 0.0000 4.27350E-03 0.6997 0 1
5596 B 49.16500 286.00 132.19 1.0000 0.0000 3.49650E-03 0.7002 0 1
5597 B 49.17200 257.00 132.17 1.0000 0.0000 3.89105E-03 0.6997 0 1
5598 B 49.17900 251.00 132.15 1.0000 0.0000 3.98406E-03 0.7002 0 1
5599 B 49.18600 255.00 132.12 1.0000 0.0000 3.92157E-03 0.7002 0 1
5600 B 49.19300 265.00 132.10 1.0000 0.0000 3.77358E-03 0.6997 0 1
5601 B 49.20000 259.00 132.08 1.0000 0.0000 3.86100E-03 0.7002 0 1
5602 B 49.20700 254.00 132.06 1.0000 0.0000 3.93701E-03 0.6997 0 1
5603 B 49.21400 243.00 132.03 1.0000 0.0000 4.11523E-03 0.7002 0 1
5604 B 49.22100 250.00 132.01 1.0000 0.0000 4.00000E-03 0.7002 0 1
5605 B 49.22800 255.00 131.99 1.0000 0.0000 3.92157E-03 0.6997 0 1
5606 B 49.23500 256.00 131.96 1.0000 0.0000 3.90625E-03 0.7002 0 1
5607 B 49.24200 254.00 131.94 1.0000 0.0000 3.93701E-03 0.6997 0 1
5608 B 49.24900 264.00 131.92 1.0000 0.0000 3.78788E-03 0.7002 0 1
5609 . 49.25600 284.00 136.07 1.0000 0.0000 3.52113E-03 0.7002 17 1
5610 . 49.26300 303.00 136.43 1.0000 0.0000 3.30033E-03 0.6997 17 1
5611 . 49.27000 264.00 136.84 1.0000 0.0000 3.78788E-03 0.7002 17 1
5612 . 49.27700 277.00 137.32 1.0000 0.0000 3.61011E-03 0.6997 17 1
5613 . 49.28400 304.00 137.88 1.0000 0.0000 3.28947E-03 0.7002 17 1
5614 . 49.29100 268.00 138.54 1.0000 0.0000 3.73134E-03 0.7002 17 1
5615 . 49.29800 246.00 139.31 1.0000 0.0000 4.06504E-03 0.6997 17 1
5616 . 49.30500 259.00 140.24 1.0000 0.0000 3.86100E-03 0.7002 17 1
5617 . 49.31200 260.00 141.40 1.0000 0.0000 3.84615E-03 0.6997 17 1
5618 . 49.31900 278.00 142.90 1.0000 0.0000 3.59712E-03 0.7002 17 1
5619 . 49.32600 258.00 145.01 1.0000 0.0000 3.87597E-03 0.7002 17 1
5620 . 49.33300 255.00 148.20 1.0000 0.0000 3.92157E-03 0.6997 17 1
5621 . 49.34000 258.00 153.42 1.0000 0.0000 3.87597E-03 0.7002 17 1
5622 . 49.34700 260.00 162.25 1.0000 0.0000 3.84615E-03 0.6997 17 1
5623 . 49.35400 261.00 177.07 1.0000 0.0000 3.83142E-03 0.7002 17 1
5624 . 49.36100 283.00 201.03 1.0000 0.0000 3.53357E-03 0.7002 17 1
5625 . 49.36800 257.00 237.46 1.0000 0.0000 3.89105E-03 0.6997 17 1
5626 . 49.37500 270.00 288.86 1.0000 0.0000 3.70370E-03 0.7002 17 1
5627 . 49.38200 273.00 355.22 1.0000 0.0000 3.66300E-03 0.6997 17 1
5628 . 49.38900 292.00 434.75 1.0000 0.0000 3.42466E-03 0.7002 17 2
5629 . 49.39600 279.00 514.67 1.0000 0.0000 3.58423E-03 0.7002 17 2
5630 . 49.40300 254.00 583.22 1.0000 0.0000 3.93701E-03 0.6997 17 2
5631 .1 49.41000 277.00 624.10 1.0000 0.0000 3.61011E-03 0.7002 17 2
5632 . 49.41700 279.00 624.68 1.0000 0.0000 3.58423E-03 0.6997 17 2
5633 . 49.42400 276.00 584.92 1.0000 0.0000 3.62319E-03 0.7002 17 2
5634 . 49.43100 263.00 517.21 1.0000 0.0000 3.80228E-03 0.7002 17 2
5635 . 49.43800 255.00 438.08 1.0000 0.0000 3.92157E-03 0.6997 17 2
5636 . 49.44500 247.00 361.15 1.0000 0.0000 4.04858E-03 0.7002 17 2
5637 . 49.45200 274.00 295.41 1.0000 0.0000 3.64964E-03 0.6997 17 2
5638 . 49.45900 282.00 245.03 1.0000 0.0000 3.54610E-03 0.7002 17 2
5639 . 49.46600 290.00 210.27 1.0000 0.0000 3.44828E-03 0.7002 17 2
5640 . 49.47300 276.00 189.36 1.0000 0.0000 3.62319E-03 0.6997 17 2
5641 . 49.48000 309.00 179.85 1.0000 0.0000 3.23625E-03 0.7002 17 2
5642 . 49.48700 282.00 179.98 1.0000 0.0000 3.54610E-03 0.6997 17 2
5643 . 49.49400 298.00 188.98 1.0000 0.0000 3.35570E-03 0.7002 17 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 101
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5644 . 49.50100 268.00 206.84 1.0000 0.0000 3.73134E-03 0.7002 17 2
5645 . 49.50800 269.00 233.40 1.0000 0.0000 3.71747E-03 0.6997 17 2
5646 . 49.51500 281.00 267.47 1.0000 0.0000 3.55872E-03 0.7002 17 2
5647 . 49.52200 273.00 305.89 1.0000 0.0000 3.66300E-03 0.6997 17 2
5648 . 49.52900 287.00 343.10 1.0000 0.0000 3.48432E-03 0.7002 17 2
5649 . 49.53600 275.00 371.49 1.0000 0.0000 3.63636E-03 0.7002 17 2
5650 .1 49.54300 268.00 383.11 1.0000 0.0000 3.73134E-03 0.6997 17 2
5651 . 49.55000 270.00 373.89 1.0000 0.0000 3.70370E-03 0.7002 17 2
5652 . 49.55700 273.00 346.68 1.0000 0.0000 3.66300E-03 0.6997 17 2
5653 . 49.56400 279.00 309.05 1.0000 0.0000 3.58423E-03 0.7002 17 2
5654 . 49.57100 252.00 264.63 1.0000 0.0000 3.96825E-03 0.7002 18 1
5655 . 49.57800 255.00 227.98 1.0000 0.0000 3.92157E-03 0.6997 18 1
5656 . 49.58500 293.00 197.85 1.0000 0.0000 3.41297E-03 0.7002 18 1
5657 . 49.59200 287.00 175.35 1.0000 0.0000 3.48432E-03 0.6997 18 1
5658 . 49.59900 272.00 159.89 1.0000 0.0000 3.67647E-03 0.7002 18 1
5659 . 49.60600 262.00 149.97 1.0000 0.0000 3.81679E-03 0.7002 18 1
5660 . 49.61300 265.00 143.93 1.0000 0.0000 3.77358E-03 0.6997 18 1
5661 . 49.62000 280.00 140.35 1.0000 0.0000 3.57143E-03 0.7002 18 1
5662 . 49.62700 267.00 138.20 1.0000 0.0000 3.74532E-03 0.6997 18 1
5663 . 49.63400 262.00 136.83 1.0000 0.0000 3.81679E-03 0.7002 18 1
5664 . 49.64100 252.00 135.89 1.0000 0.0000 3.96825E-03 0.7002 18 1
5665 . 49.64800 256.00 135.19 1.0000 0.0000 3.90625E-03 0.6997 18 1
5666 . 49.65500 264.00 134.63 1.0000 0.0000 3.78788E-03 0.7002 18 1
5667 . 49.66200 271.00 134.17 1.0000 0.0000 3.69004E-03 0.6997 18 1
5668 . 49.66900 267.00 133.77 1.0000 0.0000 3.74532E-03 0.7002 18 1
5669 . 49.67600 262.00 133.43 1.0000 0.0000 3.81679E-03 0.7002 18 1
5670 . 49.68300 288.00 133.14 1.0000 0.0000 3.47222E-03 0.6997 18 1
5671 . 49.69000 269.00 132.88 1.0000 0.0000 3.71747E-03 0.7002 18 1
5672 B 49.69700 250.00 130.46 1.0000 0.0000 4.00000E-03 0.6997 0 1
5673 B 49.70400 249.00 130.44 1.0000 0.0000 4.01606E-03 0.7002 0 1
5674 B 49.71100 262.00 130.42 1.0000 0.0000 3.81679E-03 0.7002 0 1
5675 B 49.71800 265.00 130.40 1.0000 0.0000 3.77358E-03 0.6997 0 1
5676 B 49.72500 280.00 130.37 1.0000 0.0000 3.57143E-03 0.7002 0 1
5677 B 49.73200 279.00 130.35 1.0000 0.0000 3.58423E-03 0.6997 0 1
5678 B 49.73900 274.00 130.33 1.0000 0.0000 3.64964E-03 0.7002 0 1
5679 B 49.74600 268.00 130.31 1.0000 0.0000 3.73134E-03 0.7002 0 1
5680 B 49.75300 277.00 130.28 1.0000 0.0000 3.61011E-03 0.6997 0 1
5681 B 49.76000 279.00 130.26 1.0000 0.0000 3.58423E-03 0.7002 0 1
5682 B 49.76700 271.00 130.24 1.0000 0.0000 3.69004E-03 0.6997 0 1
5683 B 49.77400 278.00 130.22 1.0000 0.0000 3.59712E-03 0.7002 0 1
5684 B 49.78100 275.00 130.19 1.0000 0.0000 3.63636E-03 0.7002 0 1
5685 B 49.78800 279.00 130.17 1.0000 0.0000 3.58423E-03 0.6997 0 1
5686 B 49.79500 272.00 130.15 1.0000 0.0000 3.67647E-03 0.7002 0 1
5687 B 49.80200 238.00 130.13 1.0000 0.0000 4.20168E-03 0.6997 0 1
5688 B 49.80900 257.00 130.10 1.0000 0.0000 3.89105E-03 0.7002 0 1
5689 B 49.81600 279.00 130.08 1.0000 0.0000 3.58423E-03 0.7002 0 1
5690 B 49.82300 264.00 130.06 1.0000 0.0000 3.78788E-03 0.6997 0 1
5691 B 49.83000 261.00 130.04 1.0000 0.0000 3.83142E-03 0.7002 0 1
5692 B 49.83700 260.00 130.01 1.0000 0.0000 3.84615E-03 0.6997 0 1
5693 B 49.84400 287.00 129.99 1.0000 0.0000 3.48432E-03 0.7002 0 1
5694 B 49.85100 276.00 129.97 1.0000 0.0000 3.62319E-03 0.7002 0 1
5695 B 49.85800 278.00 129.95 1.0000 0.0000 3.59712E-03 0.6997 0 1
5696 B 49.86500 256.00 129.92 1.0000 0.0000 3.90625E-03 0.7002 0 1
5697 B 49.87200 262.00 129.90 1.0000 0.0000 3.81679E-03 0.6997 0 1
5698 B 49.87900 271.00 129.88 1.0000 0.0000 3.69004E-03 0.7002 0 1
5699 B 49.88600 263.00 129.86 1.0000 0.0000 3.80228E-03 0.7002 0 1
5700 B 49.89300 277.00 129.83 1.0000 0.0000 3.61011E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 102
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5701 B 49.90000 249.00 129.81 1.0000 0.0000 4.01606E-03 0.7002 0 1
5702 B 49.90700 263.00 129.79 1.0000 0.0000 3.80228E-03 0.6997 0 1
5703 B 49.91400 259.00 129.76 1.0000 0.0000 3.86100E-03 0.7002 0 1
5704 B 49.92100 292.00 129.74 1.0000 0.0000 3.42466E-03 0.7002 0 1
5705 B 49.92800 266.00 129.72 1.0000 0.0000 3.75940E-03 0.6997 0 1
5706 B 49.93500 251.00 129.70 1.0000 0.0000 3.98406E-03 0.7002 0 1
5707 B 49.94200 269.00 129.67 1.0000 0.0000 3.71747E-03 0.6997 0 1
5708 B 49.94900 268.00 129.65 1.0000 0.0000 3.73134E-03 0.7002 0 1
5709 B 49.95600 284.00 129.63 1.0000 0.0000 3.52113E-03 0.7002 0 1
5710 B 49.96300 276.00 129.61 1.0000 0.0000 3.62319E-03 0.6997 0 1
5711 B 49.97000 254.00 129.58 1.0000 0.0000 3.93701E-03 0.7002 0 1
5712 B 49.97700 266.00 129.56 1.0000 0.0000 3.75940E-03 0.6997 0 1
5713 B 49.98400 266.00 129.54 1.0000 0.0000 3.75940E-03 0.7002 0 1
5714 B 49.99100 234.00 129.52 1.0000 0.0000 4.27350E-03 0.7002 0 1
5715 B 49.99800 255.00 129.49 1.0000 0.0000 3.92157E-03 0.6997 0 1
5716 B 50.00500 239.00 129.47 1.0000 0.0000 4.18410E-03 0.7002 0 1
5717 B 50.01200 263.00 129.45 1.0000 0.0000 3.80228E-03 0.6997 0 1
5718 B 50.01900 262.00 129.43 1.0000 0.0000 3.81679E-03 0.7002 0 1
5719 B 50.02600 264.00 129.40 1.0000 0.0000 3.78788E-03 0.7002 0 1
5720 B 50.03300 265.00 129.38 1.0000 0.0000 3.77358E-03 0.6997 0 1
5721 B 50.04000 254.00 129.36 1.0000 0.0000 3.93701E-03 0.7002 0 1
5722 B 50.04700 234.00 129.34 1.0000 0.0000 4.27350E-03 0.6997 0 1
5723 B 50.05400 244.00 129.31 1.0000 0.0000 4.09836E-03 0.7002 0 1
5724 B 50.06100 236.00 129.29 1.0000 0.0000 4.23729E-03 0.7002 0 1
5725 B 50.06800 227.00 129.27 1.0000 0.0000 4.40529E-03 0.6997 0 1
5726 B 50.07500 252.00 129.25 1.0000 0.0000 3.96825E-03 0.7002 0 1
5727 B 50.08200 258.00 129.23 1.0000 0.0000 3.87597E-03 0.6997 0 1
5728 B 50.08900 260.00 129.20 1.0000 0.0000 3.84615E-03 0.7002 0 1
5729 B 50.09600 255.00 129.18 1.0000 0.0000 3.92157E-03 0.7002 0 1
5730 B 50.10300 250.00 129.16 1.0000 0.0000 4.00000E-03 0.6997 0 1
5731 B 50.11000 250.00 129.14 1.0000 0.0000 4.00000E-03 0.7002 0 1
5732 B 50.11700 233.00 129.11 1.0000 0.0000 4.29185E-03 0.6997 0 1
5733 B 50.12400 255.00 129.09 1.0000 0.0000 3.92157E-03 0.7002 0 1
5734 B 50.13100 225.00 129.07 1.0000 0.0000 4.44444E-03 0.7002 0 1
5735 B 50.13800 236.00 129.05 1.0000 0.0000 4.23729E-03 0.6997 0 1
5736 B 50.14500 261.00 129.02 1.0000 0.0000 3.83142E-03 0.7002 0 1
5737 B 50.15200 233.00 129.00 1.0000 0.0000 4.29185E-03 0.6997 0 1
5738 B 50.15900 258.00 128.98 1.0000 0.0000 3.87597E-03 0.7002 0 1
5739 B 50.16600 235.00 128.96 1.0000 0.0000 4.25532E-03 0.7002 0 1
5740 B 50.17300 274.00 128.93 1.0000 0.0000 3.64964E-03 0.6997 0 1
5741 B 50.18000 265.00 128.91 1.0000 0.0000 3.77358E-03 0.7002 0 1
5742 B 50.18700 248.00 128.89 1.0000 0.0000 4.03226E-03 0.6997 0 1
5743 B 50.19400 256.00 128.87 1.0000 0.0000 3.90625E-03 0.7002 0 1
5744 B 50.20100 246.00 128.84 1.0000 0.0000 4.06504E-03 0.7002 0 1
5745 B 50.20800 223.00 128.82 1.0000 0.0000 4.48431E-03 0.6997 0 1
5746 B 50.21500 232.00 128.80 1.0000 0.0000 4.31034E-03 0.7002 0 1
5747 B 50.22200 239.00 128.78 1.0000 0.0000 4.18410E-03 0.6997 0 1
5748 B 50.22900 230.00 128.75 1.0000 0.0000 4.34783E-03 0.7002 0 1
5749 B 50.23600 226.00 128.73 1.0000 0.0000 4.42478E-03 0.7002 0 1
5750 B 50.24300 244.00 128.71 1.0000 0.0000 4.09836E-03 0.6997 0 1
5751 B 50.25000 238.00 128.69 1.0000 0.0000 4.20168E-03 0.7002 0 1
5752 B 50.25700 250.00 128.66 1.0000 0.0000 4.00000E-03 0.6997 0 1
5753 B 50.26400 242.00 128.64 1.0000 0.0000 4.13223E-03 0.7002 0 1
5754 B 50.27100 225.00 128.62 1.0000 0.0000 4.44444E-03 0.7002 0 1
5755 B 50.27800 224.00 128.60 1.0000 0.0000 4.46429E-03 0.6997 0 1
5756 B 50.28500 230.00 128.58 1.0000 0.0000 4.34783E-03 0.7002 0 1
5757 B 50.29200 231.00 128.55 1.0000 0.0000 4.32900E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 103
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5758 B 50.29900 218.00 128.53 1.0000 0.0000 4.58716E-03 0.7002 0 1
5759 B 50.30600 237.00 128.51 1.0000 0.0000 4.21941E-03 0.7002 0 1
5760 B 50.31300 251.00 128.49 1.0000 0.0000 3.98406E-03 0.6997 0 1
5761 B 50.32000 238.00 128.46 1.0000 0.0000 4.20168E-03 0.7002 0 1
5762 B 50.32700 247.00 128.44 1.0000 0.0000 4.04858E-03 0.6997 0 1
5763 B 50.33400 225.00 128.42 1.0000 0.0000 4.44444E-03 0.7002 0 1
5764 B 50.34100 224.00 128.40 1.0000 0.0000 4.46429E-03 0.7002 0 1
5765 B 50.34800 229.00 128.37 1.0000 0.0000 4.36681E-03 0.6997 0 1
5766 B 50.35500 233.00 128.35 1.0000 0.0000 4.29185E-03 0.7002 0 1
5767 B 50.36200 216.00 128.33 1.0000 0.0000 4.62963E-03 0.6997 0 1
5768 B 50.36900 210.00 128.31 1.0000 0.0000 4.76190E-03 0.7002 0 1
5769 B 50.37600 220.00 128.28 1.0000 0.0000 4.54545E-03 0.7002 0 1
5770 B 50.38300 229.00 128.26 1.0000 0.0000 4.36681E-03 0.6997 0 1
5771 B 50.39000 240.00 128.24 1.0000 0.0000 4.16667E-03 0.7002 0 1
5772 B 50.39700 229.00 128.22 1.0000 0.0000 4.36681E-03 0.6997 0 1
5773 B 50.40400 222.00 128.20 1.0000 0.0000 4.50450E-03 0.7002 0 1
5774 B 50.41100 235.00 128.17 1.0000 0.0000 4.25532E-03 0.7002 0 1
5775 B 50.41800 243.00 128.15 1.0000 0.0000 4.11523E-03 0.6997 0 1
5776 B 50.42500 239.00 128.13 1.0000 0.0000 4.18410E-03 0.7002 0 1
5777 B 50.43200 235.00 128.11 1.0000 0.0000 4.25532E-03 0.6997 0 1
5778 B 50.43900 219.00 128.08 1.0000 0.0000 4.56621E-03 0.7002 0 1
5779 B 50.44600 231.00 128.06 1.0000 0.0000 4.32900E-03 0.7002 0 1
5780 B 50.45300 232.00 128.04 1.0000 0.0000 4.31034E-03 0.6997 0 1
5781 B 50.46000 233.00 128.02 1.0000 0.0000 4.29185E-03 0.7002 0 1
5782 B 50.46700 209.00 127.99 1.0000 0.0000 4.78469E-03 0.6997 0 1
5783 B 50.47400 223.00 127.97 1.0000 0.0000 4.48431E-03 0.7002 0 1
5784 B 50.48100 231.00 127.95 1.0000 0.0000 4.32900E-03 0.7002 0 1
5785 B 50.48800 204.00 127.93 1.0000 0.0000 4.90196E-03 0.6997 0 1
5786 B 50.49500 213.00 127.91 1.0000 0.0000 4.69484E-03 0.7002 0 1
5787 B 50.50200 229.00 127.88 1.0000 0.0000 4.36681E-03 0.6997 0 1
5788 B 50.50900 227.00 127.86 1.0000 0.0000 4.40529E-03 0.7002 0 1
5789 B 50.51600 228.00 127.84 1.0000 0.0000 4.38596E-03 0.7002 0 1
5790 B 50.52300 212.00 127.82 1.0000 0.0000 4.71698E-03 0.6997 0 1
5791 B 50.53000 200.00 127.79 1.0000 0.0000 5.00000E-03 0.7002 0 1
5792 B 50.53700 199.00 127.77 1.0000 0.0000 5.02513E-03 0.6997 0 1
5793 B 50.54400 189.00 127.75 1.0000 0.0000 5.29101E-03 0.7002 0 1
5794 B 50.55100 218.00 127.73 1.0000 0.0000 4.58716E-03 0.7002 0 1
5795 B 50.55800 235.00 127.71 1.0000 0.0000 4.25532E-03 0.6997 0 1
5796 B 50.56500 201.00 127.68 1.0000 0.0000 4.97512E-03 0.7002 0 1
5797 B 50.57200 209.00 127.66 1.0000 0.0000 4.78469E-03 0.6997 0 1
5798 B 50.57900 233.00 127.64 1.0000 0.0000 4.29185E-03 0.7002 0 1
5799 B 50.58600 219.00 127.62 1.0000 0.0000 4.56621E-03 0.7002 0 1
5800 B 50.59300 220.00 127.59 1.0000 0.0000 4.54545E-03 0.6997 0 1
5801 B 50.60000 206.00 127.57 1.0000 0.0000 4.85437E-03 0.7002 0 1
5802 B 50.60700 196.00 127.55 1.0000 0.0000 5.10204E-03 0.6997 0 1
5803 B 50.61400 209.00 127.53 1.0000 0.0000 4.78469E-03 0.7002 0 1
5804 B 50.62100 208.00 127.51 1.0000 0.0000 4.80769E-03 0.7002 0 1
5805 B 50.62800 185.00 127.48 1.0000 0.0000 5.40541E-03 0.6997 0 1
5806 B 50.63500 204.00 127.46 1.0000 0.0000 4.90196E-03 0.7002 0 1
5807 B 50.64200 201.00 127.44 1.0000 0.0000 4.97512E-03 0.6997 0 1
5808 B 50.64900 205.00 127.42 1.0000 0.0000 4.87805E-03 0.7002 0 1
5809 B 50.65600 207.00 127.39 1.0000 0.0000 4.83092E-03 0.7002 0 1
5810 B 50.66300 218.00 127.37 1.0000 0.0000 4.58716E-03 0.6997 0 1
5811 B 50.67000 203.00 127.35 1.0000 0.0000 4.92611E-03 0.7002 0 1
5812 B 50.67700 162.00 127.33 1.0000 0.0000 6.17284E-03 0.6997 0 1
5813 B 50.68400 198.00 127.31 1.0000 0.0000 5.05051E-03 0.7002 0 1
5814 B 50.69100 192.00 127.28 1.0000 0.0000 5.20833E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 104
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5815 B 50.69800 198.00 127.26 1.0000 0.0000 5.05051E-03 0.6997 0 1
5816 B 50.70500 204.00 127.24 1.0000 0.0000 4.90196E-03 0.7002 0 1
5817 B 50.71200 190.00 127.22 1.0000 0.0000 5.26316E-03 0.6997 0 1
5818 B 50.71900 205.00 127.19 1.0000 0.0000 4.87805E-03 0.7002 0 1
5819 B 50.72600 200.00 127.17 1.0000 0.0000 5.00000E-03 0.7002 0 1
5820 B 50.73300 184.00 127.15 1.0000 0.0000 5.43478E-03 0.6997 0 1
5821 B 50.74000 183.00 127.13 1.0000 0.0000 5.46448E-03 0.7002 0 1
5822 B 50.74700 182.00 127.11 1.0000 0.0000 5.49451E-03 0.6997 0 1
5823 B 50.75400 182.00 127.08 1.0000 0.0000 5.49451E-03 0.7002 0 1
5824 B 50.76100 186.00 127.06 1.0000 0.0000 5.37634E-03 0.7002 0 1
5825 B 50.76800 200.00 127.04 1.0000 0.0000 5.00000E-03 0.6997 0 1
5826 B 50.77500 192.00 127.02 1.0000 0.0000 5.20833E-03 0.7002 0 1
5827 B 50.78200 203.00 126.99 1.0000 0.0000 4.92611E-03 0.6997 0 1
5828 B 50.78900 202.00 126.97 1.0000 0.0000 4.95049E-03 0.7002 0 1
5829 B 50.79600 211.00 126.95 1.0000 0.0000 4.73934E-03 0.7002 0 1
5830 B 50.80300 186.00 126.93 1.0000 0.0000 5.37634E-03 0.6997 0 1
5831 B 50.81000 180.00 126.91 1.0000 0.0000 5.55556E-03 0.7002 0 1
5832 B 50.81700 174.00 126.88 1.0000 0.0000 5.74713E-03 0.6997 0 1
5833 B 50.82400 174.00 126.86 1.0000 0.0000 5.74713E-03 0.7002 0 1
5834 B 50.83100 174.00 126.84 1.0000 0.0000 5.74713E-03 0.7002 0 1
5835 B 50.83800 173.00 126.82 1.0000 0.0000 5.78035E-03 0.6997 0 1
5836 B 50.84500 164.00 126.80 1.0000 0.0000 6.09756E-03 0.7002 0 1
5837 B 50.85200 178.00 126.77 1.0000 0.0000 5.61798E-03 0.6997 0 1
5838 B 50.85900 197.00 126.75 1.0000 0.0000 5.07614E-03 0.7002 0 1
5839 B 50.86600 185.00 126.73 1.0000 0.0000 5.40541E-03 0.7002 0 1
5840 B 50.87300 172.00 126.71 1.0000 0.0000 5.81395E-03 0.6997 0 1
5841 B 50.88000 186.00 126.69 1.0000 0.0000 5.37634E-03 0.7002 0 1
5842 B 50.88700 185.00 126.66 1.0000 0.0000 5.40541E-03 0.6997 0 1
5843 B 50.89400 184.00 126.64 1.0000 0.0000 5.43478E-03 0.7002 0 1
5844 B 50.90100 182.00 126.62 1.0000 0.0000 5.49451E-03 0.7002 0 1
5845 B 50.90800 182.00 126.60 1.0000 0.0000 5.49451E-03 0.6997 0 1
5846 B 50.91500 184.00 126.57 1.0000 0.0000 5.43478E-03 0.7002 0 1
5847 B 50.92200 191.00 126.55 1.0000 0.0000 5.23560E-03 0.6997 0 1
5848 B 50.92900 182.00 126.53 1.0000 0.0000 5.49451E-03 0.7002 0 1
5849 B 50.93600 167.00 126.51 1.0000 0.0000 5.98802E-03 0.7002 0 1
5850 B 50.94300 169.00 126.49 1.0000 0.0000 5.91716E-03 0.6997 0 1
5851 B 50.95000 158.00 126.46 1.0000 0.0000 6.32911E-03 0.7002 0 1
5852 B 50.95700 170.00 126.44 1.0000 0.0000 5.88235E-03 0.6997 0 1
5853 B 50.96400 177.00 126.42 1.0000 0.0000 5.64972E-03 0.7002 0 1
5854 B 50.97100 172.00 126.40 1.0000 0.0000 5.81395E-03 0.7002 0 1
5855 B 50.97800 191.00 126.38 1.0000 0.0000 5.23560E-03 0.6997 0 1
5856 B 50.98500 164.00 126.35 1.0000 0.0000 6.09756E-03 0.7002 0 1
5857 B 50.99200 162.00 126.33 1.0000 0.0000 6.17284E-03 0.6997 0 1
5858 B 50.99900 174.00 126.31 1.0000 0.0000 5.74713E-03 0.7002 0 1
5859 B 51.00600 163.00 126.29 1.0000 0.0000 6.13497E-03 0.7002 0 1
5860 B 51.01300 166.00 126.27 1.0000 0.0000 6.02410E-03 0.6997 0 1
5861 B 51.02000 168.00 126.24 1.0000 0.0000 5.95238E-03 0.7002 0 1
5862 B 51.02700 162.00 126.22 1.0000 0.0000 6.17284E-03 0.6997 0 1
5863 B 51.03400 170.00 126.20 1.0000 0.0000 5.88235E-03 0.7002 0 1
5864 B 51.04100 177.00 126.18 1.0000 0.0000 5.64972E-03 0.7002 0 1
5865 B 51.04800 159.00 126.16 1.0000 0.0000 6.28931E-03 0.6997 0 1
5866 B 51.05500 159.00 126.13 1.0000 0.0000 6.28931E-03 0.7002 0 1
5867 B 51.06200 145.00 126.11 1.0000 0.0000 6.89655E-03 0.6997 0 1
5868 B 51.06900 171.00 126.09 1.0000 0.0000 5.84795E-03 0.7002 0 1
5869 B 51.07600 174.00 126.07 1.0000 0.0000 5.74713E-03 0.7002 0 1
5870 B 51.08300 150.00 126.05 1.0000 0.0000 6.66667E-03 0.6997 0 1
5871 B 51.09000 153.00 126.02 1.0000 0.0000 6.53595E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 105
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5872 B 51.09700 155.00 126.00 1.0000 0.0000 6.45161E-03 0.6997 0 1
5873 B 51.10400 157.00 125.98 1.0000 0.0000 6.36943E-03 0.7002 0 1
5874 B 51.11100 168.00 125.96 1.0000 0.0000 5.95238E-03 0.7002 0 1
5875 B 51.11800 151.00 125.94 1.0000 0.0000 6.62252E-03 0.6997 0 1
5876 B 51.12500 150.00 125.91 1.0000 0.0000 6.66667E-03 0.7002 0 1
5877 B 51.13200 171.00 125.89 1.0000 0.0000 5.84795E-03 0.6997 0 1
5878 B 51.13900 156.00 125.87 1.0000 0.0000 6.41026E-03 0.7002 0 1
5879 B 51.14600 143.00 125.85 1.0000 0.0000 6.99301E-03 0.7002 0 1
5880 B 51.15300 139.00 125.83 1.0000 0.0000 7.19424E-03 0.6997 0 1
5881 B 51.16000 142.00 125.80 1.0000 0.0000 7.04225E-03 0.7002 0 1
5882 B 51.16700 158.00 125.78 1.0000 0.0000 6.32911E-03 0.6997 0 1
5883 B 51.17400 157.00 125.76 1.0000 0.0000 6.36943E-03 0.7002 0 1
5884 B 51.18100 146.00 125.74 1.0000 0.0000 6.84932E-03 0.7002 0 1
5885 B 51.18800 141.00 125.72 1.0000 0.0000 7.09220E-03 0.6997 0 1
5886 B 51.19500 160.00 125.69 1.0000 0.0000 6.25000E-03 0.7002 0 1
5887 B 51.20200 167.00 125.67 1.0000 0.0000 5.98802E-03 0.6997 0 1
5888 B 51.20900 137.00 125.65 1.0000 0.0000 7.29927E-03 0.7002 0 1
5889 B 51.21600 128.00 125.63 1.0000 0.0000 7.81250E-03 0.7002 0 1
5890 B 51.22300 157.00 125.61 1.0000 0.0000 6.36943E-03 0.6997 0 1
5891 B 51.23000 154.00 125.58 1.0000 0.0000 6.49351E-03 0.7002 0 1
5892 B 51.23700 153.00 125.56 1.0000 0.0000 6.53595E-03 0.6997 0 1
5893 B 51.24400 143.00 125.54 1.0000 0.0000 6.99301E-03 0.7002 0 1
5894 B 51.25100 150.00 125.52 1.0000 0.0000 6.66667E-03 0.7002 0 1
5895 B 51.25800 140.00 125.50 1.0000 0.0000 7.14286E-03 0.6997 0 1
5896 B 51.26500 135.00 125.47 1.0000 0.0000 7.40741E-03 0.7002 0 1
5897 B 51.27200 148.00 125.45 1.0000 0.0000 6.75676E-03 0.6997 0 1
5898 B 51.27900 143.00 125.43 1.0000 0.0000 6.99301E-03 0.7002 0 1
5899 B 51.28600 148.00 125.41 1.0000 0.0000 6.75676E-03 0.7002 0 1
5900 B 51.29300 159.00 125.39 1.0000 0.0000 6.28931E-03 0.6997 0 1
5901 B 51.30000 163.00 125.36 1.0000 0.0000 6.13497E-03 0.7002 0 1
5902 B 51.30700 146.00 125.34 1.0000 0.0000 6.84932E-03 0.6997 0 1
5903 B 51.31400 130.00 125.32 1.0000 0.0000 7.69231E-03 0.7002 0 1
5904 B 51.32100 149.00 125.30 1.0000 0.0000 6.71141E-03 0.7002 0 1
5905 B 51.32800 132.00 125.28 1.0000 0.0000 7.57576E-03 0.6997 0 1
5906 B 51.33500 118.00 125.25 1.0000 0.0000 8.47458E-03 0.7002 0 1
5907 B 51.34200 135.00 125.23 1.0000 0.0000 7.40741E-03 0.6997 0 1
5908 B 51.34900 149.00 125.21 1.0000 0.0000 6.71141E-03 0.7002 0 1
5909 B 51.35600 135.00 125.19 1.0000 0.0000 7.40741E-03 0.7002 0 1
5910 B 51.36300 157.00 125.17 1.0000 0.0000 6.36943E-03 0.6997 0 1
5911 B 51.37000 163.00 125.15 1.0000 0.0000 6.13497E-03 0.7002 0 1
5912 B 51.37700 127.00 125.12 1.0000 0.0000 7.87402E-03 0.6997 0 1
5913 B 51.38400 111.00 125.10 1.0000 0.0000 9.00901E-03 0.7002 0 1
5914 B 51.39100 136.00 125.08 1.0000 0.0000 7.35294E-03 0.7002 0 1
5915 B 51.39800 134.00 125.06 1.0000 0.0000 7.46269E-03 0.6997 0 1
5916 B 51.40500 152.00 125.04 1.0000 0.0000 6.57895E-03 0.7002 0 1
5917 B 51.41200 124.00 125.01 1.0000 0.0000 8.06452E-03 0.6997 0 1
5918 B 51.41900 132.00 124.99 1.0000 0.0000 7.57576E-03 0.7002 0 1
5919 B 51.42600 137.00 124.97 1.0000 0.0000 7.29927E-03 0.7002 0 1
5920 B 51.43300 133.00 124.95 1.0000 0.0000 7.51880E-03 0.6997 0 1
5921 B 51.44000 144.00 124.93 1.0000 0.0000 6.94444E-03 0.7002 0 1
5922 B 51.44700 129.00 124.90 1.0000 0.0000 7.75194E-03 0.6997 0 1
5923 B 51.45400 144.00 124.88 1.0000 0.0000 6.94444E-03 0.7002 0 1
5924 B 51.46100 150.00 124.86 1.0000 0.0000 6.66667E-03 0.7002 0 1
5925 B 51.46800 128.00 124.84 1.0000 0.0000 7.81250E-03 0.6997 0 1
5926 B 51.47500 124.00 124.82 1.0000 0.0000 8.06452E-03 0.7002 0 1
5927 B 51.48200 134.00 124.80 1.0000 0.0000 7.46269E-03 0.6997 0 1
5928 B 51.48900 140.00 124.77 1.0000 0.0000 7.14286E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 106
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5929 B 51.49600 133.00 124.75 1.0000 0.0000 7.51880E-03 0.7002 0 1
5930 B 51.50300 125.00 124.73 1.0000 0.0000 8.00000E-03 0.6997 0 1
5931 B 51.51000 141.00 124.71 1.0000 0.0000 7.09220E-03 0.7002 0 1
5932 B 51.51700 137.00 124.69 1.0000 0.0000 7.29927E-03 0.6997 0 1
5933 B 51.52400 132.00 124.66 1.0000 0.0000 7.57576E-03 0.7002 0 1
5934 B 51.53100 156.00 124.64 1.0000 0.0000 6.41026E-03 0.7002 0 1
5935 B 51.53800 140.00 124.62 1.0000 0.0000 7.14286E-03 0.6997 0 1
5936 B 51.54500 131.00 124.60 1.0000 0.0000 7.63359E-03 0.7002 0 1
5937 B 51.55200 131.00 124.58 1.0000 0.0000 7.63359E-03 0.6997 0 1
5938 B 51.55900 131.00 124.56 1.0000 0.0000 7.63359E-03 0.7002 0 1
5939 B 51.56600 119.00 124.53 1.0000 0.0000 8.40336E-03 0.7002 0 1
5940 B 51.57300 121.00 124.51 1.0000 0.0000 8.26446E-03 0.6997 0 1
5941 B 51.58000 125.00 124.49 1.0000 0.0000 8.00000E-03 0.7002 0 1
5942 B 51.58700 137.00 124.47 1.0000 0.0000 7.29927E-03 0.6997 0 1
5943 B 51.59400 137.00 124.45 1.0000 0.0000 7.29927E-03 0.7002 0 1
5944 B 51.60100 134.00 124.42 1.0000 0.0000 7.46269E-03 0.7002 0 1
5945 B 51.60800 116.00 124.40 1.0000 0.0000 8.62069E-03 0.6997 0 1
5946 B 51.61500 129.00 124.38 1.0000 0.0000 7.75194E-03 0.7002 0 1
5947 B 51.62200 121.00 124.36 1.0000 0.0000 8.26446E-03 0.6997 0 1
5948 B 51.62900 146.00 124.34 1.0000 0.0000 6.84932E-03 0.7002 0 1
5949 B 51.63600 132.00 124.32 1.0000 0.0000 7.57576E-03 0.7002 0 1
5950 B 51.64300 147.00 124.29 1.0000 0.0000 6.80272E-03 0.6997 0 1
5951 B 51.65000 131.00 124.27 1.0000 0.0000 7.63359E-03 0.7002 0 1
5952 B 51.65700 111.00 124.25 1.0000 0.0000 9.00901E-03 0.6997 0 1
5953 B 51.66400 117.00 124.23 1.0000 0.0000 8.54701E-03 0.7002 0 1
5954 B 51.67100 113.00 124.21 1.0000 0.0000 8.84956E-03 0.7002 0 1
5955 B 51.67800 108.00 124.18 1.0000 0.0000 9.25926E-03 0.6997 0 1
5956 B 51.68500 110.00 124.16 1.0000 0.0000 9.09091E-03 0.7002 0 1
5957 B 51.69200 106.00 124.14 1.0000 0.0000 9.43396E-03 0.6997 0 1
5958 B 51.69900 103.00 124.12 1.0000 0.0000 9.70874E-03 0.7002 0 1
5959 B 51.70600 117.00 124.10 1.0000 0.0000 8.54701E-03 0.7002 0 1
5960 B 51.71300 116.00 124.08 1.0000 0.0000 8.62069E-03 0.6997 0 1
5961 B 51.72000 127.00 124.05 1.0000 0.0000 7.87402E-03 0.7002 0 1
5962 B 51.72700 110.00 124.03 1.0000 0.0000 9.09091E-03 0.6997 0 1
5963 B 51.73400 124.00 124.01 1.0000 0.0000 8.06452E-03 0.7002 0 1
5964 B 51.74100 99.000 123.99 1.0000 0.0000 1.01010E-02 0.7002 0 1
5965 B 51.74800 119.00 123.97 1.0000 0.0000 8.40336E-03 0.6997 0 1
5966 B 51.75500 112.00 123.95 1.0000 0.0000 8.92857E-03 0.7002 0 1
5967 B 51.76200 94.000 123.92 1.0000 0.0000 1.06383E-02 0.6997 0 1
5968 B 51.76900 97.000 123.90 1.0000 0.0000 1.03093E-02 0.7002 0 1
5969 B 51.77600 97.000 123.88 1.0000 0.0000 1.03093E-02 0.7002 0 1
5970 B 51.78300 102.00 123.86 1.0000 0.0000 9.80392E-03 0.6997 0 1
5971 B 51.79000 114.00 123.84 1.0000 0.0000 8.77193E-03 0.7002 0 1
5972 B 51.79700 116.00 123.82 1.0000 0.0000 8.62069E-03 0.6997 0 1
5973 B 51.80400 121.00 123.79 1.0000 0.0000 8.26446E-03 0.7002 0 1
5974 B 51.81100 127.00 123.77 1.0000 0.0000 7.87402E-03 0.7002 0 1
5975 B 51.81800 119.00 123.75 1.0000 0.0000 8.40336E-03 0.6997 0 1
5976 B 51.82500 106.00 123.73 1.0000 0.0000 9.43396E-03 0.7002 0 1
5977 B 51.83200 102.00 123.71 1.0000 0.0000 9.80392E-03 0.6997 0 1
5978 B 51.83900 108.00 123.69 1.0000 0.0000 9.25926E-03 0.7002 0 1
5979 B 51.84600 99.000 123.66 1.0000 0.0000 1.01010E-02 0.7002 0 1
5980 B 51.85300 117.00 123.64 1.0000 0.0000 8.54701E-03 0.6997 0 1
5981 B 51.86000 115.00 123.62 1.0000 0.0000 8.69565E-03 0.7002 0 1
5982 B 51.86700 107.00 123.60 1.0000 0.0000 9.34579E-03 0.6997 0 1
5983 B 51.87400 102.00 123.58 1.0000 0.0000 9.80392E-03 0.7002 0 1
5984 B 51.88100 103.00 123.56 1.0000 0.0000 9.70874E-03 0.7002 0 1
5985 B 51.88800 113.00 123.53 1.0000 0.0000 8.84956E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 107
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
5986 B 51.89500 120.00 123.51 1.0000 0.0000 8.33333E-03 0.7002 0 1
5987 B 51.90200 106.00 123.49 1.0000 0.0000 9.43396E-03 0.6997 0 1
5988 B 51.90900 104.00 123.47 1.0000 0.0000 9.61538E-03 0.7002 0 1
5989 B 51.91600 113.00 123.45 1.0000 0.0000 8.84956E-03 0.7002 0 1
5990 B 51.92300 98.000 123.43 1.0000 0.0000 1.02041E-02 0.6997 0 1
5991 B 51.93000 103.00 123.40 1.0000 0.0000 9.70874E-03 0.7002 0 1
5992 B 51.93700 111.00 123.38 1.0000 0.0000 9.00901E-03 0.6997 0 1
5993 B 51.94400 93.000 123.36 1.0000 0.0000 1.07527E-02 0.7002 0 1
5994 B 51.95100 103.00 123.34 1.0000 0.0000 9.70874E-03 0.7002 0 1
5995 B 51.95800 112.00 123.32 1.0000 0.0000 8.92857E-03 0.6997 0 1
5996 B 51.96500 100.00 123.30 1.0000 0.0000 1.00000E-02 0.7002 0 1
5997 B 51.97200 104.00 123.27 1.0000 0.0000 9.61538E-03 0.6997 0 1
5998 B 51.97900 103.00 123.25 1.0000 0.0000 9.70874E-03 0.7002 0 1
5999 B 51.98600 100.00 123.23 1.0000 0.0000 1.00000E-02 0.7002 0 1
6000 B 51.99300 116.00 123.21 1.0000 0.0000 8.62069E-03 0.6997 0 1
6001 B 52.00000 106.00 123.19 1.0000 0.0000 9.43396E-03 0.7002 0 1
6002 B 52.00700 91.000 123.17 1.0000 0.0000 1.09890E-02 0.6997 0 1
6003 B 52.01400 95.000 123.14 1.0000 0.0000 1.05263E-02 0.7002 0 1
6004 B 52.02100 109.00 123.12 1.0000 0.0000 9.17431E-03 0.7002 0 1
6005 B 52.02800 102.00 123.10 1.0000 0.0000 9.80392E-03 0.6997 0 1
6006 B 52.03500 89.000 123.08 1.0000 0.0000 1.12360E-02 0.7002 0 1
6007 B 52.04200 102.00 123.06 1.0000 0.0000 9.80392E-03 0.6997 0 1
6008 B 52.04900 105.00 123.04 1.0000 0.0000 9.52381E-03 0.7002 0 1
6009 B 52.05600 95.000 123.01 1.0000 0.0000 1.05263E-02 0.7002 0 1
6010 B 52.06300 90.000 122.99 1.0000 0.0000 1.11111E-02 0.6997 0 1
6011 B 52.07000 96.000 122.97 1.0000 0.0000 1.04167E-02 0.7002 0 1
6012 B 52.07700 99.000 122.95 1.0000 0.0000 1.01010E-02 0.6997 0 1
6013 B 52.08400 101.00 122.93 1.0000 0.0000 9.90099E-03 0.7002 0 1
6014 B 52.09100 99.000 122.91 1.0000 0.0000 1.01010E-02 0.7002 0 1
6015 B 52.09800 105.00 122.89 1.0000 0.0000 9.52381E-03 0.6997 0 1
6016 B 52.10500 97.000 122.86 1.0000 0.0000 1.03093E-02 0.7002 0 1
6017 B 52.11200 98.000 122.84 1.0000 0.0000 1.02041E-02 0.6997 0 1
6018 B 52.11900 95.000 122.82 1.0000 0.0000 1.05263E-02 0.7002 0 1
6019 B 52.12600 84.000 122.80 1.0000 0.0000 1.19048E-02 0.7002 0 1
6020 B 52.13300 89.000 122.78 1.0000 0.0000 1.12360E-02 0.6997 0 1
6021 B 52.14000 93.000 122.76 1.0000 0.0000 1.07527E-02 0.7002 0 1
6022 B 52.14700 85.000 122.73 1.0000 0.0000 1.17647E-02 0.6997 0 1
6023 B 52.15400 92.000 122.71 1.0000 0.0000 1.08696E-02 0.7002 0 1
6024 B 52.16100 95.000 122.69 1.0000 0.0000 1.05263E-02 0.7002 0 1
6025 B 52.16800 95.000 122.67 1.0000 0.0000 1.05263E-02 0.6997 0 1
6026 B 52.17500 86.000 122.65 1.0000 0.0000 1.16279E-02 0.7002 0 1
6027 B 52.18200 100.00 122.63 1.0000 0.0000 1.00000E-02 0.6997 0 1
6028 B 52.18900 99.000 122.61 1.0000 0.0000 1.01010E-02 0.7002 0 1
6029 B 52.19600 95.000 122.58 1.0000 0.0000 1.05263E-02 0.7002 0 1
6030 B 52.20300 80.000 122.56 1.0000 0.0000 1.25000E-02 0.6997 0 1
6031 B 52.21000 89.000 122.54 1.0000 0.0000 1.12360E-02 0.7002 0 1
6032 B 52.21700 96.000 122.52 1.0000 0.0000 1.04167E-02 0.6997 0 1
6033 B 52.22400 99.000 122.50 1.0000 0.0000 1.01010E-02 0.7002 0 1
6034 B 52.23100 90.000 122.48 1.0000 0.0000 1.11111E-02 0.7002 0 1
6035 B 52.23800 83.000 122.45 1.0000 0.0000 1.20482E-02 0.6997 0 1
6036 B 52.24500 91.000 122.43 1.0000 0.0000 1.09890E-02 0.7002 0 1
6037 B 52.25200 103.00 122.41 1.0000 0.0000 9.70874E-03 0.6997 0 1
6038 B 52.25900 94.000 122.39 1.0000 0.0000 1.06383E-02 0.7002 0 1
6039 B 52.26600 81.000 122.37 1.0000 0.0000 1.23457E-02 0.7002 0 1
6040 B 52.27300 88.000 122.35 1.0000 0.0000 1.13636E-02 0.6997 0 1
6041 B 52.28000 93.000 122.33 1.0000 0.0000 1.07527E-02 0.7002 0 1
6042 B 52.28700 89.000 122.30 1.0000 0.0000 1.12360E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 108
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6043 B 52.29400 94.000 122.28 1.0000 0.0000 1.06383E-02 0.7002 0 1
6044 B 52.30100 77.000 122.26 1.0000 0.0000 1.29870E-02 0.7002 0 1
6045 B 52.30800 84.000 122.24 1.0000 0.0000 1.19048E-02 0.6997 0 1
6046 B 52.31500 84.000 122.22 1.0000 0.0000 1.19048E-02 0.7002 0 1
6047 B 52.32200 84.000 122.20 1.0000 0.0000 1.19048E-02 0.6997 0 1
6048 B 52.32900 85.000 122.18 1.0000 0.0000 1.17647E-02 0.7002 0 1
6049 B 52.33600 89.000 122.15 1.0000 0.0000 1.12360E-02 0.7002 0 1
6050 B 52.34300 93.000 122.13 1.0000 0.0000 1.07527E-02 0.6997 0 1
6051 B 52.35000 96.000 122.11 1.0000 0.0000 1.04167E-02 0.7002 0 1
6052 B 52.35700 84.000 122.09 1.0000 0.0000 1.19048E-02 0.6997 0 1
6053 B 52.36400 87.000 122.07 1.0000 0.0000 1.14943E-02 0.7002 0 1
6054 B 52.37100 84.000 122.05 1.0000 0.0000 1.19048E-02 0.7002 0 1
6055 B 52.37800 101.00 122.02 1.0000 0.0000 9.90099E-03 0.6997 0 1
6056 B 52.38500 76.000 122.00 1.0000 0.0000 1.31579E-02 0.7002 0 1
6057 B 52.39200 84.000 121.98 1.0000 0.0000 1.19048E-02 0.6997 0 1
6058 B 52.39900 74.000 121.96 1.0000 0.0000 1.35135E-02 0.7002 0 1
6059 B 52.40600 76.000 121.94 1.0000 0.0000 1.31579E-02 0.7002 0 1
6060 B 52.41300 84.000 121.92 1.0000 0.0000 1.19048E-02 0.6997 0 1
6061 B 52.42000 69.000 121.90 1.0000 0.0000 1.44928E-02 0.7002 0 1
6062 B 52.42700 76.000 121.87 1.0000 0.0000 1.31579E-02 0.6997 0 1
6063 B 52.43400 89.000 121.85 1.0000 0.0000 1.12360E-02 0.7002 0 1
6064 B 52.44100 90.000 121.83 1.0000 0.0000 1.11111E-02 0.7002 0 1
6065 B 52.44800 92.000 121.81 1.0000 0.0000 1.08696E-02 0.6997 0 1
6066 B 52.45500 89.000 121.79 1.0000 0.0000 1.12360E-02 0.7002 0 1
6067 B 52.46200 84.000 121.77 1.0000 0.0000 1.19048E-02 0.6997 0 1
6068 B 52.46900 84.000 121.75 1.0000 0.0000 1.19048E-02 0.7002 0 1
6069 B 52.47600 85.000 121.72 1.0000 0.0000 1.17647E-02 0.7002 0 1
6070 B 52.48300 93.000 121.70 1.0000 0.0000 1.07527E-02 0.6997 0 1
6071 B 52.49000 76.000 121.68 1.0000 0.0000 1.31579E-02 0.7002 0 1
6072 B 52.49700 81.000 121.66 1.0000 0.0000 1.23457E-02 0.6997 0 1
6073 B 52.50400 99.000 121.64 1.0000 0.0000 1.01010E-02 0.7002 0 1
6074 B 52.51100 80.000 121.62 1.0000 0.0000 1.25000E-02 0.7002 0 1
6075 B 52.51800 95.000 121.60 1.0000 0.0000 1.05263E-02 0.6997 0 1
6076 B 52.52500 81.000 121.58 1.0000 0.0000 1.23457E-02 0.7002 0 1
6077 B 52.53200 75.000 121.55 1.0000 0.0000 1.33333E-02 0.6997 0 1
6078 B 52.53900 76.000 121.53 1.0000 0.0000 1.31579E-02 0.7002 0 1
6079 B 52.54600 81.000 121.51 1.0000 0.0000 1.23457E-02 0.7002 0 1
6080 B 52.55300 73.000 121.49 1.0000 0.0000 1.36986E-02 0.6997 0 1
6081 B 52.56000 76.000 121.47 1.0000 0.0000 1.31579E-02 0.7002 0 1
6082 B 52.56700 76.000 121.45 1.0000 0.0000 1.31579E-02 0.6997 0 1
6083 B 52.57400 72.000 121.43 1.0000 0.0000 1.38889E-02 0.7002 0 1
6084 B 52.58100 87.000 121.40 1.0000 0.0000 1.14943E-02 0.7002 0 1
6085 B 52.58800 65.000 121.38 1.0000 0.0000 1.53846E-02 0.6997 0 1
6086 B 52.59500 93.000 121.36 1.0000 0.0000 1.07527E-02 0.7002 0 1
6087 B 52.60200 65.000 121.34 1.0000 0.0000 1.53846E-02 0.6997 0 1
6088 B 52.60900 78.000 121.32 1.0000 0.0000 1.28205E-02 0.7002 0 1
6089 B 52.61600 64.000 121.30 1.0000 0.0000 1.56250E-02 0.7002 0 1
6090 B 52.62300 83.000 121.28 1.0000 0.0000 1.20482E-02 0.6997 0 1
6091 B 52.63000 90.000 121.25 1.0000 0.0000 1.11111E-02 0.7002 0 1
6092 B 52.63700 87.000 121.23 1.0000 0.0000 1.14943E-02 0.6997 0 1
6093 B 52.64400 89.000 121.21 1.0000 0.0000 1.12360E-02 0.7002 0 1
6094 B 52.65100 85.000 121.19 1.0000 0.0000 1.17647E-02 0.7002 0 1
6095 B 52.65800 72.000 121.17 1.0000 0.0000 1.38889E-02 0.6997 0 1
6096 B 52.66500 78.000 121.15 1.0000 0.0000 1.28205E-02 0.7002 0 1
6097 B 52.67200 79.000 121.13 1.0000 0.0000 1.26582E-02 0.6997 0 1
6098 B 52.67900 79.000 121.11 1.0000 0.0000 1.26582E-02 0.7002 0 1
6099 B 52.68600 70.000 121.08 1.0000 0.0000 1.42857E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 109
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6100 B 52.69300 92.000 121.06 1.0000 0.0000 1.08696E-02 0.6997 0 1
6101 B 52.70000 84.000 121.04 1.0000 0.0000 1.19048E-02 0.7002 0 1
6102 B 52.70700 74.000 121.02 1.0000 0.0000 1.35135E-02 0.6997 0 1
6103 B 52.71400 64.000 121.00 1.0000 0.0000 1.56250E-02 0.7002 0 1
6104 B 52.72100 78.000 120.98 1.0000 0.0000 1.28205E-02 0.7002 0 1
6105 B 52.72800 74.000 120.96 1.0000 0.0000 1.35135E-02 0.6997 0 1
6106 B 52.73500 66.000 120.94 1.0000 0.0000 1.51515E-02 0.7002 0 1
6107 B 52.74200 78.000 120.91 1.0000 0.0000 1.28205E-02 0.6997 0 1
6108 B 52.74900 80.000 120.89 1.0000 0.0000 1.25000E-02 0.7002 0 1
6109 B 52.75600 87.000 120.87 1.0000 0.0000 1.14943E-02 0.7002 0 1
6110 B 52.76300 79.000 120.85 1.0000 0.0000 1.26582E-02 0.6997 0 1
6111 B 52.77000 85.000 120.83 1.0000 0.0000 1.17647E-02 0.7002 0 1
6112 B 52.77700 88.000 120.81 1.0000 0.0000 1.13636E-02 0.6997 0 1
6113 B 52.78400 84.000 120.79 1.0000 0.0000 1.19048E-02 0.7002 0 1
6114 B 52.79100 87.000 120.76 1.0000 0.0000 1.14943E-02 0.7002 0 1
6115 B 52.79800 74.000 120.74 1.0000 0.0000 1.35135E-02 0.6997 0 1
6116 B 52.80500 84.000 120.72 1.0000 0.0000 1.19048E-02 0.7002 0 1
6117 B 52.81200 71.000 120.70 1.0000 0.0000 1.40845E-02 0.6997 0 1
6118 B 52.81900 89.000 120.68 1.0000 0.0000 1.12360E-02 0.7002 0 1
6119 B 52.82600 75.000 120.66 1.0000 0.0000 1.33333E-02 0.7002 0 1
6120 B 52.83300 75.000 120.64 1.0000 0.0000 1.33333E-02 0.6997 0 1
6121 B 52.84000 73.000 120.62 1.0000 0.0000 1.36986E-02 0.7002 0 1
6122 B 52.84700 73.000 120.59 1.0000 0.0000 1.36986E-02 0.6997 0 1
6123 B 52.85400 82.000 120.57 1.0000 0.0000 1.21951E-02 0.7002 0 1
6124 B 52.86100 87.000 120.55 1.0000 0.0000 1.14943E-02 0.7002 0 1
6125 B 52.86800 66.000 120.53 1.0000 0.0000 1.51515E-02 0.6997 0 1
6126 B 52.87500 68.000 120.51 1.0000 0.0000 1.47059E-02 0.7002 0 1
6127 B 52.88200 89.000 120.49 1.0000 0.0000 1.12360E-02 0.6997 0 1
6128 B 52.88900 76.000 120.47 1.0000 0.0000 1.31579E-02 0.7002 0 1
6129 B 52.89600 91.000 120.45 1.0000 0.0000 1.09890E-02 0.7002 0 1
6130 B 52.90300 82.000 120.42 1.0000 0.0000 1.21951E-02 0.6997 0 1
6131 B 52.91000 77.000 120.40 1.0000 0.0000 1.29870E-02 0.7002 0 1
6132 B 52.91700 72.000 120.38 1.0000 0.0000 1.38889E-02 0.6997 0 1
6133 B 52.92400 66.000 120.36 1.0000 0.0000 1.51515E-02 0.7002 0 1
6134 B 52.93100 75.000 120.34 1.0000 0.0000 1.33333E-02 0.7002 0 1
6135 B 52.93800 75.000 120.32 1.0000 0.0000 1.33333E-02 0.6997 0 1
6136 B 52.94500 74.000 120.30 1.0000 0.0000 1.35135E-02 0.7002 0 1
6137 B 52.95200 63.000 120.28 1.0000 0.0000 1.58730E-02 0.6997 0 1
6138 B 52.95900 69.000 120.26 1.0000 0.0000 1.44928E-02 0.7002 0 1
6139 B 52.96600 72.000 120.23 1.0000 0.0000 1.38889E-02 0.7002 0 1
6140 B 52.97300 77.000 120.21 1.0000 0.0000 1.29870E-02 0.6997 0 1
6141 B 52.98000 80.000 120.19 1.0000 0.0000 1.25000E-02 0.7002 0 1
6142 B 52.98700 73.000 120.17 1.0000 0.0000 1.36986E-02 0.6997 0 1
6143 B 52.99400 73.000 120.15 1.0000 0.0000 1.36986E-02 0.7002 0 1
6144 B 53.00100 73.000 120.13 1.0000 0.0000 1.36986E-02 0.7002 0 1
6145 B 53.00800 66.000 120.11 1.0000 0.0000 1.51515E-02 0.6997 0 1
6146 B 53.01500 77.000 120.09 1.0000 0.0000 1.29870E-02 0.7002 0 1
6147 B 53.02200 89.000 120.06 1.0000 0.0000 1.12360E-02 0.6997 0 1
6148 B 53.02900 52.000 120.04 1.0000 0.0000 1.92308E-02 0.7002 0 1
6149 B 53.03600 77.000 120.02 1.0000 0.0000 1.29870E-02 0.7002 0 1
6150 B 53.04300 86.000 120.00 1.0000 0.0000 1.16279E-02 0.6997 0 1
6151 B 53.05000 65.000 119.98 1.0000 0.0000 1.53846E-02 0.7002 0 1
6152 B 53.05700 77.000 119.96 1.0000 0.0000 1.29870E-02 0.6997 0 1
6153 B 53.06400 78.000 119.94 1.0000 0.0000 1.28205E-02 0.7002 0 1
6154 B 53.07100 81.000 119.92 1.0000 0.0000 1.23457E-02 0.7002 0 1
6155 B 53.07800 79.000 119.90 1.0000 0.0000 1.26582E-02 0.6997 0 1
6156 B 53.08500 81.000 119.87 1.0000 0.0000 1.23457E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 110
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6157 B 53.09200 81.000 119.85 1.0000 0.0000 1.23457E-02 0.6997 0 1
6158 B 53.09900 80.000 119.83 1.0000 0.0000 1.25000E-02 0.7002 0 1
6159 B 53.10600 75.000 119.81 1.0000 0.0000 1.33333E-02 0.7002 0 1
6160 B 53.11300 61.000 119.79 1.0000 0.0000 1.63934E-02 0.6997 0 1
6161 B 53.12000 64.000 119.77 1.0000 0.0000 1.56250E-02 0.7002 0 1
6162 B 53.12700 62.000 119.75 1.0000 0.0000 1.61290E-02 0.6997 0 1
6163 B 53.13400 67.000 119.73 1.0000 0.0000 1.49254E-02 0.7002 0 1
6164 B 53.14100 65.000 119.71 1.0000 0.0000 1.53846E-02 0.7002 0 1
6165 B 53.14800 71.000 119.68 1.0000 0.0000 1.40845E-02 0.6997 0 1
6166 B 53.15500 70.000 119.66 1.0000 0.0000 1.42857E-02 0.7002 0 1
6167 B 53.16200 64.000 119.64 1.0000 0.0000 1.56250E-02 0.6997 0 1
6168 B 53.16900 76.000 119.62 1.0000 0.0000 1.31579E-02 0.7002 0 1
6169 B 53.17600 70.000 119.60 1.0000 0.0000 1.42857E-02 0.7002 0 1
6170 B 53.18300 67.000 119.58 1.0000 0.0000 1.49254E-02 0.6997 0 1
6171 B 53.19000 78.000 119.56 1.0000 0.0000 1.28205E-02 0.7002 0 1
6172 B 53.19700 78.000 119.54 1.0000 0.0000 1.28205E-02 0.6997 0 1
6173 B 53.20400 77.000 119.52 1.0000 0.0000 1.29870E-02 0.7002 0 1
6174 B 53.21100 75.000 119.49 1.0000 0.0000 1.33333E-02 0.7002 0 1
6175 B 53.21800 83.000 119.47 1.0000 0.0000 1.20482E-02 0.6997 0 1
6176 B 53.22500 59.000 119.45 1.0000 0.0000 1.69492E-02 0.7002 0 1
6177 B 53.23200 69.000 119.43 1.0000 0.0000 1.44928E-02 0.6997 0 1
6178 B 53.23900 74.000 119.41 1.0000 0.0000 1.35135E-02 0.7002 0 1
6179 B 53.24600 75.000 119.39 1.0000 0.0000 1.33333E-02 0.7002 0 1
6180 B 53.25300 73.000 119.37 1.0000 0.0000 1.36986E-02 0.6997 0 1
6181 B 53.26000 63.000 119.35 1.0000 0.0000 1.58730E-02 0.7002 0 1
6182 B 53.26700 61.000 119.33 1.0000 0.0000 1.63934E-02 0.6997 0 1
6183 B 53.27400 75.000 119.30 1.0000 0.0000 1.33333E-02 0.7002 0 1
6184 B 53.28100 74.000 119.28 1.0000 0.0000 1.35135E-02 0.7002 0 1
6185 B 53.28800 65.000 119.26 1.0000 0.0000 1.53846E-02 0.6997 0 1
6186 B 53.29500 65.000 119.24 1.0000 0.0000 1.53846E-02 0.7002 0 1
6187 B 53.30200 71.000 119.22 1.0000 0.0000 1.40845E-02 0.6997 0 1
6188 B 53.30900 68.000 119.20 1.0000 0.0000 1.47059E-02 0.7002 0 1
6189 B 53.31600 60.000 119.18 1.0000 0.0000 1.66667E-02 0.7002 0 1
6190 B 53.32300 61.000 119.16 1.0000 0.0000 1.63934E-02 0.6997 0 1
6191 B 53.33000 60.000 119.14 1.0000 0.0000 1.66667E-02 0.7002 0 1
6192 B 53.33700 62.000 119.12 1.0000 0.0000 1.61290E-02 0.6997 0 1
6193 B 53.34400 69.000 119.09 1.0000 0.0000 1.44928E-02 0.7002 0 1
6194 B 53.35100 64.000 119.07 1.0000 0.0000 1.56250E-02 0.7002 0 1
6195 B 53.35800 73.000 119.05 1.0000 0.0000 1.36986E-02 0.6997 0 1
6196 B 53.36500 69.000 119.03 1.0000 0.0000 1.44928E-02 0.7002 0 1
6197 B 53.37200 74.000 119.01 1.0000 0.0000 1.35135E-02 0.6997 0 1
6198 B 53.37900 75.000 118.99 1.0000 0.0000 1.33333E-02 0.7002 0 1
6199 B 53.38600 76.000 118.97 1.0000 0.0000 1.31579E-02 0.7002 0 1
6200 B 53.39300 66.000 118.95 1.0000 0.0000 1.51515E-02 0.6997 0 1
6201 B 53.40000 75.000 118.93 1.0000 0.0000 1.33333E-02 0.7002 0 1
6202 B 53.40700 67.000 118.91 1.0000 0.0000 1.49254E-02 0.6997 0 1
6203 B 53.41400 59.000 118.88 1.0000 0.0000 1.69492E-02 0.7002 0 1
6204 B 53.42100 60.000 118.86 1.0000 0.0000 1.66667E-02 0.7002 0 1
6205 B 53.42800 71.000 118.84 1.0000 0.0000 1.40845E-02 0.6997 0 1
6206 B 53.43500 74.000 118.82 1.0000 0.0000 1.35135E-02 0.7002 0 1
6207 B 53.44200 65.000 118.80 1.0000 0.0000 1.53846E-02 0.6997 0 1
6208 B 53.44900 60.000 118.78 1.0000 0.0000 1.66667E-02 0.7002 0 1
6209 B 53.45600 67.000 118.76 1.0000 0.0000 1.49254E-02 0.7002 0 1
6210 B 53.46300 56.000 118.74 1.0000 0.0000 1.78571E-02 0.6997 0 1
6211 B 53.47000 82.000 118.72 1.0000 0.0000 1.21951E-02 0.7002 0 1
6212 B 53.47700 69.000 118.70 1.0000 0.0000 1.44928E-02 0.6997 0 1
6213 B 53.48400 68.000 118.67 1.0000 0.0000 1.47059E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 111
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6214 B 53.49100 61.000 118.65 1.0000 0.0000 1.63934E-02 0.7002 0 1
6215 B 53.49800 61.000 118.63 1.0000 0.0000 1.63934E-02 0.6997 0 1
6216 B 53.50500 61.000 118.61 1.0000 0.0000 1.63934E-02 0.7002 0 1
6217 B 53.51200 62.000 118.59 1.0000 0.0000 1.61290E-02 0.6997 0 1
6218 B 53.51900 66.000 118.57 1.0000 0.0000 1.51515E-02 0.7002 0 1
6219 B 53.52600 60.000 118.55 1.0000 0.0000 1.66667E-02 0.7002 0 1
6220 B 53.53300 73.000 118.53 1.0000 0.0000 1.36986E-02 0.6997 0 1
6221 B 53.54000 73.000 118.51 1.0000 0.0000 1.36986E-02 0.7002 0 1
6222 B 53.54700 56.000 118.49 1.0000 0.0000 1.78571E-02 0.6997 0 1
6223 B 53.55400 69.000 118.47 1.0000 0.0000 1.44928E-02 0.7002 0 1
6224 B 53.56100 68.000 118.44 1.0000 0.0000 1.47059E-02 0.7002 0 1
6225 B 53.56800 65.000 118.42 1.0000 0.0000 1.53846E-02 0.6997 0 1
6226 B 53.57500 64.000 118.40 1.0000 0.0000 1.56250E-02 0.7002 0 1
6227 B 53.58200 61.000 118.38 1.0000 0.0000 1.63934E-02 0.6997 0 1
6228 B 53.58900 64.000 118.36 1.0000 0.0000 1.56250E-02 0.7002 0 1
6229 B 53.59600 63.000 118.34 1.0000 0.0000 1.58730E-02 0.7002 0 1
6230 B 53.60300 52.000 118.32 1.0000 0.0000 1.92308E-02 0.6997 0 1
6231 B 53.61000 58.000 118.30 1.0000 0.0000 1.72414E-02 0.7002 0 1
6232 B 53.61700 54.000 118.28 1.0000 0.0000 1.85185E-02 0.6997 0 1
6233 B 53.62400 59.000 118.26 1.0000 0.0000 1.69492E-02 0.7002 0 1
6234 B 53.63100 68.000 118.24 1.0000 0.0000 1.47059E-02 0.7002 0 1
6235 B 53.63800 68.000 118.21 1.0000 0.0000 1.47059E-02 0.6997 0 1
6236 B 53.64500 65.000 118.19 1.0000 0.0000 1.53846E-02 0.7002 0 1
6237 B 53.65200 76.000 118.17 1.0000 0.0000 1.31579E-02 0.6997 0 1
6238 B 53.65900 67.000 118.15 1.0000 0.0000 1.49254E-02 0.7002 0 1
6239 B 53.66600 55.000 118.13 1.0000 0.0000 1.81818E-02 0.7002 0 1
6240 B 53.67300 75.000 118.11 1.0000 0.0000 1.33333E-02 0.6997 0 1
6241 B 53.68000 70.000 118.09 1.0000 0.0000 1.42857E-02 0.7002 0 1
6242 B 53.68700 69.000 118.07 1.0000 0.0000 1.44928E-02 0.6997 0 1
6243 B 53.69400 69.000 118.05 1.0000 0.0000 1.44928E-02 0.7002 0 1
6244 B 53.70100 67.000 118.03 1.0000 0.0000 1.49254E-02 0.7002 0 1
6245 B 53.70800 62.000 118.01 1.0000 0.0000 1.61290E-02 0.6997 0 1
6246 B 53.71500 69.000 117.98 1.0000 0.0000 1.44928E-02 0.7002 0 1
6247 B 53.72200 64.000 117.96 1.0000 0.0000 1.56250E-02 0.6997 0 1
6248 B 53.72900 71.000 117.94 1.0000 0.0000 1.40845E-02 0.7002 0 1
6249 B 53.73600 66.000 117.92 1.0000 0.0000 1.51515E-02 0.7002 0 1
6250 B 53.74300 51.000 117.90 1.0000 0.0000 1.96078E-02 0.6997 0 1
6251 B 53.75000 57.000 117.88 1.0000 0.0000 1.75439E-02 0.7002 0 1
6252 B 53.75700 60.000 117.86 1.0000 0.0000 1.66667E-02 0.6997 0 1
6253 B 53.76400 70.000 117.84 1.0000 0.0000 1.42857E-02 0.7002 0 1
6254 B 53.77100 65.000 117.82 1.0000 0.0000 1.53846E-02 0.7002 0 1
6255 B 53.77800 71.000 117.80 1.0000 0.0000 1.40845E-02 0.6997 0 1
6256 B 53.78500 55.000 117.78 1.0000 0.0000 1.81818E-02 0.7002 0 1
6257 B 53.79200 62.000 117.76 1.0000 0.0000 1.61290E-02 0.6997 0 1
6258 B 53.79900 52.000 117.73 1.0000 0.0000 1.92308E-02 0.7002 0 1
6259 B 53.80600 69.000 117.71 1.0000 0.0000 1.44928E-02 0.7002 0 1
6260 B 53.81300 64.000 117.69 1.0000 0.0000 1.56250E-02 0.6997 0 1
6261 B 53.82000 63.000 117.67 1.0000 0.0000 1.58730E-02 0.7002 0 1
6262 B 53.82700 64.000 117.65 1.0000 0.0000 1.56250E-02 0.6997 0 1
6263 B 53.83400 58.000 117.63 1.0000 0.0000 1.72414E-02 0.7002 0 1
6264 B 53.84100 55.000 117.61 1.0000 0.0000 1.81818E-02 0.7002 0 1
6265 B 53.84800 61.000 117.59 1.0000 0.0000 1.63934E-02 0.6997 0 1
6266 B 53.85500 67.000 117.57 1.0000 0.0000 1.49254E-02 0.7002 0 1
6267 B 53.86200 58.000 117.55 1.0000 0.0000 1.72414E-02 0.6997 0 1
6268 B 53.86900 74.000 117.53 1.0000 0.0000 1.35135E-02 0.7002 0 1
6269 B 53.87600 69.000 117.51 1.0000 0.0000 1.44928E-02 0.7002 0 1
6270 B 53.88300 69.000 117.48 1.0000 0.0000 1.44928E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 112
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6271 B 53.89000 67.000 117.46 1.0000 0.0000 1.49254E-02 0.7002 0 1
6272 B 53.89700 77.000 117.44 1.0000 0.0000 1.29870E-02 0.6997 0 1
6273 B 53.90400 72.000 117.42 1.0000 0.0000 1.38889E-02 0.7002 0 1
6274 B 53.91100 54.000 117.40 1.0000 0.0000 1.85185E-02 0.7002 0 1
6275 B 53.91800 64.000 117.38 1.0000 0.0000 1.56250E-02 0.6997 0 1
6276 B 53.92500 73.000 117.36 1.0000 0.0000 1.36986E-02 0.7002 0 1
6277 B 53.93200 58.000 117.34 1.0000 0.0000 1.72414E-02 0.6997 0 1
6278 B 53.93900 52.000 117.32 1.0000 0.0000 1.92308E-02 0.7002 0 1
6279 B 53.94600 58.000 117.30 1.0000 0.0000 1.72414E-02 0.7002 0 1
6280 B 53.95300 61.000 117.28 1.0000 0.0000 1.63934E-02 0.6997 0 1
6281 B 53.96000 59.000 117.26 1.0000 0.0000 1.69492E-02 0.7002 0 1
6282 B 53.96700 77.000 117.24 1.0000 0.0000 1.29870E-02 0.6997 0 1
6283 B 53.97400 65.000 117.21 1.0000 0.0000 1.53846E-02 0.7002 0 1
6284 B 53.98100 72.000 117.19 1.0000 0.0000 1.38889E-02 0.7002 0 1
6285 B 53.98800 49.000 117.17 1.0000 0.0000 2.04082E-02 0.6997 0 1
6286 B 53.99500 48.000 117.15 1.0000 0.0000 2.08333E-02 0.7002 0 1
6287 B 54.00200 63.000 117.13 1.0000 0.0000 1.58730E-02 0.6997 0 1
6288 B 54.00900 65.000 117.11 1.0000 0.0000 1.53846E-02 0.7002 0 1
6289 B 54.01600 56.000 117.09 1.0000 0.0000 1.78571E-02 0.7002 0 1
6290 B 54.02300 54.000 117.07 1.0000 0.0000 1.85185E-02 0.6997 0 1
6291 B 54.03000 66.000 117.05 1.0000 0.0000 1.51515E-02 0.7002 0 1
6292 B 54.03700 64.000 117.03 1.0000 0.0000 1.56250E-02 0.6997 0 1
6293 B 54.04400 64.000 117.01 1.0000 0.0000 1.56250E-02 0.7002 0 1
6294 B 54.05100 61.000 116.99 1.0000 0.0000 1.63934E-02 0.7002 0 1
6295 B 54.05800 57.000 116.97 1.0000 0.0000 1.75439E-02 0.6997 0 1
6296 B 54.06500 68.000 116.95 1.0000 0.0000 1.47059E-02 0.7002 0 1
6297 B 54.07200 65.000 116.92 1.0000 0.0000 1.53846E-02 0.6997 0 1
6298 B 54.07900 49.000 116.90 1.0000 0.0000 2.04082E-02 0.7002 0 1
6299 B 54.08600 62.000 116.88 1.0000 0.0000 1.61290E-02 0.7002 0 1
6300 B 54.09300 65.000 116.86 1.0000 0.0000 1.53846E-02 0.6997 0 1
6301 B 54.10000 63.000 116.84 1.0000 0.0000 1.58730E-02 0.7002 0 1
6302 B 54.10700 67.000 116.82 1.0000 0.0000 1.49254E-02 0.6997 0 1
6303 B 54.11400 62.000 116.80 1.0000 0.0000 1.61290E-02 0.7002 0 1
6304 B 54.12100 56.000 116.78 1.0000 0.0000 1.78571E-02 0.7002 0 1
6305 B 54.12800 64.000 116.76 1.0000 0.0000 1.56250E-02 0.6997 0 1
6306 B 54.13500 59.000 116.74 1.0000 0.0000 1.69492E-02 0.7002 0 1
6307 B 54.14200 59.000 116.72 1.0000 0.0000 1.69492E-02 0.6997 0 1
6308 B 54.14900 55.000 116.70 1.0000 0.0000 1.81818E-02 0.7002 0 1
6309 B 54.15600 71.000 116.68 1.0000 0.0000 1.40845E-02 0.7002 0 1
6310 B 54.16300 83.000 116.66 1.0000 0.0000 1.20482E-02 0.6997 0 1
6311 B 54.17000 74.000 116.64 1.0000 0.0000 1.35135E-02 0.7002 0 1
6312 B 54.17700 47.000 116.61 1.0000 0.0000 2.12766E-02 0.6997 0 1
6313 B 54.18400 50.000 116.59 1.0000 0.0000 2.00000E-02 0.7002 0 1
6314 B 54.19100 73.000 116.57 1.0000 0.0000 1.36986E-02 0.7002 0 1
6315 B 54.19800 74.000 116.55 1.0000 0.0000 1.35135E-02 0.6997 0 1
6316 B 54.20500 60.000 116.53 1.0000 0.0000 1.66667E-02 0.7002 0 1
6317 B 54.21200 61.000 116.51 1.0000 0.0000 1.63934E-02 0.6997 0 1
6318 B 54.21900 65.000 116.49 1.0000 0.0000 1.53846E-02 0.7002 0 1
6319 B 54.22600 64.000 116.47 1.0000 0.0000 1.56250E-02 0.7002 0 1
6320 B 54.23300 62.000 116.45 1.0000 0.0000 1.61290E-02 0.6997 0 1
6321 B 54.24000 58.000 116.43 1.0000 0.0000 1.72414E-02 0.7002 0 1
6322 B 54.24700 54.000 116.41 1.0000 0.0000 1.85185E-02 0.6997 0 1
6323 B 54.25400 59.000 116.39 1.0000 0.0000 1.69492E-02 0.7002 0 1
6324 B 54.26100 54.000 116.37 1.0000 0.0000 1.85185E-02 0.7002 0 1
6325 B 54.26800 57.000 116.35 1.0000 0.0000 1.75439E-02 0.6997 0 1
6326 B 54.27500 68.000 116.33 1.0000 0.0000 1.47059E-02 0.7002 0 1
6327 B 54.28200 70.000 116.30 1.0000 0.0000 1.42857E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 113
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6328 B 54.28900 61.000 116.28 1.0000 0.0000 1.63934E-02 0.7002 0 1
6329 B 54.29600 56.000 116.26 1.0000 0.0000 1.78571E-02 0.7002 0 1
6330 B 54.30300 57.000 116.24 1.0000 0.0000 1.75439E-02 0.6997 0 1
6331 B 54.31000 52.000 116.22 1.0000 0.0000 1.92308E-02 0.7002 0 1
6332 B 54.31700 61.000 116.20 1.0000 0.0000 1.63934E-02 0.6997 0 1
6333 B 54.32400 54.000 116.18 1.0000 0.0000 1.85185E-02 0.7002 0 1
6334 B 54.33100 53.000 116.16 1.0000 0.0000 1.88679E-02 0.7002 0 1
6335 B 54.33800 63.000 116.14 1.0000 0.0000 1.58730E-02 0.6997 0 1
6336 B 54.34500 67.000 116.12 1.0000 0.0000 1.49254E-02 0.7002 0 1
6337 B 54.35200 66.000 116.10 1.0000 0.0000 1.51515E-02 0.6997 0 1
6338 B 54.35900 66.000 116.08 1.0000 0.0000 1.51515E-02 0.7002 0 1
6339 B 54.36600 68.000 116.06 1.0000 0.0000 1.47059E-02 0.7002 0 1
6340 B 54.37300 60.000 116.04 1.0000 0.0000 1.66667E-02 0.6997 0 1
6341 B 54.38000 53.000 116.02 1.0000 0.0000 1.88679E-02 0.7002 0 1
6342 B 54.38700 58.000 116.00 1.0000 0.0000 1.72414E-02 0.6997 0 1
6343 B 54.39400 68.000 115.98 1.0000 0.0000 1.47059E-02 0.7002 0 1
6344 B 54.40100 77.000 115.95 1.0000 0.0000 1.29870E-02 0.7002 0 1
6345 B 54.40800 67.000 115.93 1.0000 0.0000 1.49254E-02 0.6997 0 1
6346 B 54.41500 65.000 115.91 1.0000 0.0000 1.53846E-02 0.7002 0 1
6347 B 54.42200 56.000 115.89 1.0000 0.0000 1.78571E-02 0.6997 0 1
6348 B 54.42900 71.000 115.87 1.0000 0.0000 1.40845E-02 0.7002 0 1
6349 B 54.43600 63.000 115.85 1.0000 0.0000 1.58730E-02 0.7002 0 1
6350 B 54.44300 65.000 115.83 1.0000 0.0000 1.53846E-02 0.6997 0 1
6351 B 54.45000 48.000 115.81 1.0000 0.0000 2.08333E-02 0.7002 0 1
6352 B 54.45700 52.000 115.79 1.0000 0.0000 1.92308E-02 0.6997 0 1
6353 B 54.46400 60.000 115.77 1.0000 0.0000 1.66667E-02 0.7002 0 1
6354 B 54.47100 65.000 115.75 1.0000 0.0000 1.53846E-02 0.7002 0 1
6355 B 54.47800 61.000 115.73 1.0000 0.0000 1.63934E-02 0.6997 0 1
6356 B 54.48500 61.000 115.71 1.0000 0.0000 1.63934E-02 0.7002 0 1
6357 B 54.49200 59.000 115.69 1.0000 0.0000 1.69492E-02 0.6997 0 1
6358 B 54.49900 74.000 115.67 1.0000 0.0000 1.35135E-02 0.7002 0 1
6359 B 54.50600 67.000 115.65 1.0000 0.0000 1.49254E-02 0.7002 0 1
6360 B 54.51300 70.000 115.63 1.0000 0.0000 1.42857E-02 0.6997 0 1
6361 B 54.52000 58.000 115.61 1.0000 0.0000 1.72414E-02 0.7002 0 1
6362 B 54.52700 46.000 115.59 1.0000 0.0000 2.17391E-02 0.6997 0 1
6363 B 54.53400 66.000 115.56 1.0000 0.0000 1.51515E-02 0.7002 0 1
6364 B 54.54100 49.000 115.54 1.0000 0.0000 2.04082E-02 0.7002 0 1
6365 B 54.54800 53.000 115.52 1.0000 0.0000 1.88679E-02 0.6997 0 1
6366 B 54.55500 61.000 115.50 1.0000 0.0000 1.63934E-02 0.7002 0 1
6367 B 54.56200 52.000 115.48 1.0000 0.0000 1.92308E-02 0.6997 0 1
6368 B 54.56900 59.000 115.46 1.0000 0.0000 1.69492E-02 0.7002 0 1
6369 B 54.57600 72.000 115.44 1.0000 0.0000 1.38889E-02 0.7002 0 1
6370 B 54.58300 67.000 115.42 1.0000 0.0000 1.49254E-02 0.6997 0 1
6371 B 54.59000 51.000 115.40 1.0000 0.0000 1.96078E-02 0.7002 0 1
6372 B 54.59700 53.000 115.38 1.0000 0.0000 1.88679E-02 0.6997 0 1
6373 B 54.60400 69.000 115.36 1.0000 0.0000 1.44928E-02 0.7002 0 1
6374 B 54.61100 54.000 115.34 1.0000 0.0000 1.85185E-02 0.7002 0 1
6375 B 54.61800 54.000 115.32 1.0000 0.0000 1.85185E-02 0.6997 0 1
6376 B 54.62500 54.000 115.30 1.0000 0.0000 1.85185E-02 0.7002 0 1
6377 B 54.63200 63.000 115.28 1.0000 0.0000 1.58730E-02 0.6997 0 1
6378 B 54.63900 59.000 115.26 1.0000 0.0000 1.69492E-02 0.7002 0 1
6379 B 54.64600 61.000 115.24 1.0000 0.0000 1.63934E-02 0.7002 0 1
6380 B 54.65300 56.000 115.22 1.0000 0.0000 1.78571E-02 0.6997 0 1
6381 B 54.66000 58.000 115.20 1.0000 0.0000 1.72414E-02 0.7002 0 1
6382 B 54.66700 60.000 115.18 1.0000 0.0000 1.66667E-02 0.6997 0 1
6383 B 54.67400 64.000 115.16 1.0000 0.0000 1.56250E-02 0.7002 0 1
6384 B 54.68100 65.000 115.14 1.0000 0.0000 1.53846E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 114
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6385 B 54.68800 56.000 115.11 1.0000 0.0000 1.78571E-02 0.6997 0 1
6386 B 54.69500 50.000 115.09 1.0000 0.0000 2.00000E-02 0.7002 0 1
6387 B 54.70200 56.000 115.07 1.0000 0.0000 1.78571E-02 0.6997 0 1
6388 B 54.70900 62.000 115.05 1.0000 0.0000 1.61290E-02 0.7002 0 1
6389 B 54.71600 55.000 115.03 1.0000 0.0000 1.81818E-02 0.7002 0 1
6390 B 54.72300 66.000 115.01 1.0000 0.0000 1.51515E-02 0.6997 0 1
6391 B 54.73000 50.000 114.99 1.0000 0.0000 2.00000E-02 0.7002 0 1
6392 B 54.73700 62.000 114.97 1.0000 0.0000 1.61290E-02 0.6997 0 1
6393 B 54.74400 50.000 114.95 1.0000 0.0000 2.00000E-02 0.7002 0 1
6394 B 54.75100 61.000 114.93 1.0000 0.0000 1.63934E-02 0.7002 0 1
6395 B 54.75800 57.000 114.91 1.0000 0.0000 1.75439E-02 0.6997 0 1
6396 B 54.76500 61.000 114.89 1.0000 0.0000 1.63934E-02 0.7002 0 1
6397 B 54.77200 56.000 114.87 1.0000 0.0000 1.78571E-02 0.6997 0 1
6398 B 54.77900 59.000 114.85 1.0000 0.0000 1.69492E-02 0.7002 0 1
6399 B 54.78600 59.000 114.83 1.0000 0.0000 1.69492E-02 0.7002 0 1
6400 B 54.79300 61.000 114.81 1.0000 0.0000 1.63934E-02 0.6997 0 1
6401 B 54.80000 51.000 114.79 1.0000 0.0000 1.96078E-02 0.7002 0 1
6402 B 54.80700 55.000 114.77 1.0000 0.0000 1.81818E-02 0.6997 0 1
6403 B 54.81400 57.000 114.75 1.0000 0.0000 1.75439E-02 0.7002 0 1
6404 B 54.82100 55.000 114.73 1.0000 0.0000 1.81818E-02 0.7002 0 1
6405 B 54.82800 67.000 114.71 1.0000 0.0000 1.49254E-02 0.6997 0 1
6406 B 54.83500 61.000 114.69 1.0000 0.0000 1.63934E-02 0.7002 0 1
6407 B 54.84200 53.000 114.67 1.0000 0.0000 1.88679E-02 0.6997 0 1
6408 B 54.84900 41.000 114.65 1.0000 0.0000 2.43902E-02 0.7002 0 1
6409 B 54.85600 48.000 114.63 1.0000 0.0000 2.08333E-02 0.7002 0 1
6410 B 54.86300 62.000 114.60 1.0000 0.0000 1.61290E-02 0.6997 0 1
6411 B 54.87000 73.000 114.58 1.0000 0.0000 1.36986E-02 0.7002 0 1
6412 B 54.87700 62.000 114.56 1.0000 0.0000 1.61290E-02 0.6997 0 1
6413 B 54.88400 61.000 114.54 1.0000 0.0000 1.63934E-02 0.7002 0 1
6414 B 54.89100 61.000 114.52 1.0000 0.0000 1.63934E-02 0.7002 0 1
6415 B 54.89800 69.000 114.50 1.0000 0.0000 1.44928E-02 0.6997 0 1
6416 B 54.90500 66.000 114.48 1.0000 0.0000 1.51515E-02 0.7002 0 1
6417 B 54.91200 54.000 114.46 1.0000 0.0000 1.85185E-02 0.6997 0 1
6418 B 54.91900 54.000 114.44 1.0000 0.0000 1.85185E-02 0.7002 0 1
6419 B 54.92600 45.000 114.42 1.0000 0.0000 2.22222E-02 0.7002 0 1
6420 B 54.93300 43.000 114.40 1.0000 0.0000 2.32558E-02 0.6997 0 1
6421 B 54.94000 60.000 114.38 1.0000 0.0000 1.66667E-02 0.7002 0 1
6422 B 54.94700 62.000 114.36 1.0000 0.0000 1.61290E-02 0.6997 0 1
6423 B 54.95400 58.000 114.34 1.0000 0.0000 1.72414E-02 0.7002 0 1
6424 B 54.96100 60.000 114.32 1.0000 0.0000 1.66667E-02 0.7002 0 1
6425 B 54.96800 52.000 114.30 1.0000 0.0000 1.92308E-02 0.6997 0 1
6426 B 54.97500 51.000 114.28 1.0000 0.0000 1.96078E-02 0.7002 0 1
6427 B 54.98200 57.000 114.26 1.0000 0.0000 1.75439E-02 0.6997 0 1
6428 B 54.98900 51.000 114.24 1.0000 0.0000 1.96078E-02 0.7002 0 1
6429 B 54.99600 54.000 114.22 1.0000 0.0000 1.85185E-02 0.7002 0 1
6430 B 55.00300 53.000 114.20 1.0000 0.0000 1.88679E-02 0.6997 0 1
6431 B 55.01000 58.000 114.18 1.0000 0.0000 1.72414E-02 0.7002 0 1
6432 B 55.01700 55.000 114.16 1.0000 0.0000 1.81818E-02 0.6997 0 1
6433 B 55.02400 50.000 114.14 1.0000 0.0000 2.00000E-02 0.7002 0 1
6434 B 55.03100 58.000 114.12 1.0000 0.0000 1.72414E-02 0.7002 0 1
6435 B 55.03800 58.000 114.10 1.0000 0.0000 1.72414E-02 0.6997 0 1
6436 B 55.04500 70.000 114.08 1.0000 0.0000 1.42857E-02 0.7002 0 1
6437 B 55.05200 60.000 114.06 1.0000 0.0000 1.66667E-02 0.6997 0 1
6438 B 55.05900 50.000 114.04 1.0000 0.0000 2.00000E-02 0.7002 0 1
6439 B 55.06600 82.000 114.02 1.0000 0.0000 1.21951E-02 0.7002 0 1
6440 B 55.07300 64.000 114.00 1.0000 0.0000 1.56250E-02 0.6997 0 1
6441 B 55.08000 60.000 113.98 1.0000 0.0000 1.66667E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 115
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6442 B 55.08700 41.000 113.95 1.0000 0.0000 2.43902E-02 0.6997 0 1
6443 B 55.09400 51.000 113.93 1.0000 0.0000 1.96078E-02 0.7002 0 1
6444 B 55.10100 56.000 113.91 1.0000 0.0000 1.78571E-02 0.7002 0 1
6445 B 55.10800 60.000 113.89 1.0000 0.0000 1.66667E-02 0.6997 0 1
6446 B 55.11500 53.000 113.87 1.0000 0.0000 1.88679E-02 0.7002 0 1
6447 B 55.12200 53.000 113.85 1.0000 0.0000 1.88679E-02 0.6997 0 1
6448 B 55.12900 56.000 113.83 1.0000 0.0000 1.78571E-02 0.7002 0 1
6449 B 55.13600 59.000 113.81 1.0000 0.0000 1.69492E-02 0.7002 0 1
6450 B 55.14300 52.000 113.79 1.0000 0.0000 1.92308E-02 0.6997 0 1
6451 B 55.15000 64.000 113.77 1.0000 0.0000 1.56250E-02 0.7002 0 1
6452 B 55.15700 55.000 113.75 1.0000 0.0000 1.81818E-02 0.6997 0 1
6453 B 55.16400 56.000 113.73 1.0000 0.0000 1.78571E-02 0.7002 0 1
6454 B 55.17100 58.000 113.71 1.0000 0.0000 1.72414E-02 0.7002 0 1
6455 B 55.17800 50.000 113.69 1.0000 0.0000 2.00000E-02 0.6997 0 1
6456 B 55.18500 64.000 113.67 1.0000 0.0000 1.56250E-02 0.7002 0 1
6457 B 55.19200 53.000 113.65 1.0000 0.0000 1.88679E-02 0.6997 0 1
6458 B 55.19900 56.000 113.63 1.0000 0.0000 1.78571E-02 0.7002 0 1
6459 B 55.20600 60.000 113.61 1.0000 0.0000 1.66667E-02 0.7002 0 1
6460 B 55.21300 50.000 113.59 1.0000 0.0000 2.00000E-02 0.6997 0 1
6461 B 55.22000 58.000 113.57 1.0000 0.0000 1.72414E-02 0.7002 0 1
6462 B 55.22700 51.000 113.55 1.0000 0.0000 1.96078E-02 0.6997 0 1
6463 B 55.23400 47.000 113.53 1.0000 0.0000 2.12766E-02 0.7002 0 1
6464 B 55.24100 60.000 113.51 1.0000 0.0000 1.66667E-02 0.7002 0 1
6465 B 55.24800 58.000 113.49 1.0000 0.0000 1.72414E-02 0.6997 0 1
6466 B 55.25500 52.000 113.47 1.0000 0.0000 1.92308E-02 0.7002 0 1
6467 B 55.26200 54.000 113.45 1.0000 0.0000 1.85185E-02 0.6997 0 1
6468 . 55.26900 54.000 113.91 1.0000 0.0000 1.85185E-02 0.7002 19 1
6469 . 55.27600 60.000 113.93 1.0000 0.0000 1.66667E-02 0.7002 19 1
6470 . 55.28300 62.000 113.96 1.0000 0.0000 1.61290E-02 0.6997 19 1
6471 . 55.29000 66.000 114.00 1.0000 0.0000 1.51515E-02 0.7002 19 1
6472 . 55.29700 72.000 114.04 1.0000 0.0000 1.38889E-02 0.6997 19 1
6473 . 55.30400 65.000 114.10 1.0000 0.0000 1.53846E-02 0.7002 19 1
6474 . 55.31100 47.000 114.17 1.0000 0.0000 2.12766E-02 0.7002 19 1
6475 . 55.31800 51.000 114.26 1.0000 0.0000 1.96078E-02 0.6997 19 1
6476 . 55.32500 56.000 114.37 1.0000 0.0000 1.78571E-02 0.7002 19 1
6477 . 55.33200 50.000 114.52 1.0000 0.0000 2.00000E-02 0.6997 19 1
6478 . 55.33900 53.000 114.75 1.0000 0.0000 1.88679E-02 0.7002 19 1
6479 . 55.34600 48.000 115.09 1.0000 0.0000 2.08333E-02 0.7002 19 1
6480 . 55.35300 59.000 115.65 1.0000 0.0000 1.69492E-02 0.6997 19 1
6481 . 55.36000 62.000 116.61 1.0000 0.0000 1.61290E-02 0.7002 19 1
6482 . 55.36700 55.000 118.21 1.0000 0.0000 1.81818E-02 0.6997 19 1
6483 . 55.37400 63.000 120.77 1.0000 0.0000 1.58730E-02 0.7002 19 1
6484 . 55.38100 56.000 124.65 1.0000 0.0000 1.78571E-02 0.7002 19 1
6485 . 55.38800 61.000 130.09 1.0000 0.0000 1.63934E-02 0.6997 19 1
6486 . 55.39500 63.000 137.09 1.0000 0.0000 1.58730E-02 0.7002 19 1
6487 . 55.40200 63.000 145.25 1.0000 0.0000 1.58730E-02 0.6997 19 1
6488 . 55.40900 51.000 153.65 1.0000 0.0000 1.96078E-02 0.7002 19 1
6489 . 55.41600 49.000 160.90 1.0000 0.0000 2.04082E-02 0.7002 19 1
6490 .1 55.42300 56.000 165.51 1.0000 0.0000 1.78571E-02 0.6997 19 2
6491 . 55.43000 43.000 165.67 1.0000 0.0000 2.32558E-02 0.7002 19 2
6492 . 55.43700 49.000 161.55 1.0000 0.0000 2.04082E-02 0.6997 19 2
6493 . 55.44400 56.000 154.44 1.0000 0.0000 1.78571E-02 0.7002 19 2
6494 . 55.45100 54.000 146.06 1.0000 0.0000 1.85185E-02 0.7002 19 2
6495 . 55.45800 61.000 137.86 1.0000 0.0000 1.63934E-02 0.6997 19 2
6496 . 55.46500 62.000 130.77 1.0000 0.0000 1.61290E-02 0.7002 19 2
6497 . 55.47200 58.000 125.24 1.0000 0.0000 1.72414E-02 0.6997 19 2
6498 . 55.47900 55.000 121.31 1.0000 0.0000 1.81818E-02 0.7002 19 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 116
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6499 . 55.48600 54.000 118.73 1.0000 0.0000 1.85185E-02 0.7002 19 2
6500 . 55.49300 64.000 117.20 1.0000 0.0000 1.56250E-02 0.6997 19 2
6501 . 55.50000 63.000 116.43 1.0000 0.0000 1.58730E-02 0.7002 19 2
6502 . 55.50700 72.000 116.24 1.0000 0.0000 1.38889E-02 0.6997 19 2
6503 . 55.51400 63.000 116.57 1.0000 0.0000 1.58730E-02 0.7002 19 2
6504 . 55.52100 53.000 117.47 1.0000 0.0000 1.88679E-02 0.7002 19 2
6505 . 55.52800 55.000 119.05 1.0000 0.0000 1.81818E-02 0.6997 19 2
6506 . 55.53500 57.000 121.43 1.0000 0.0000 1.75439E-02 0.7002 19 2
6507 . 55.54200 52.000 124.63 1.0000 0.0000 1.92308E-02 0.6997 19 2
6508 . 55.54900 57.000 128.48 1.0000 0.0000 1.75439E-02 0.7002 19 2
6509 . 55.55600 60.000 132.59 1.0000 0.0000 1.66667E-02 0.7002 19 2
6510 . 55.56300 58.000 136.31 1.0000 0.0000 1.72414E-02 0.6997 19 2
6511 .1 55.57000 53.000 138.79 1.0000 0.0000 1.88679E-02 0.7002 19 2
6512 . 55.57700 59.000 139.29 1.0000 0.0000 1.69492E-02 0.6997 19 2
6513 . 55.58400 59.000 137.12 1.0000 0.0000 1.69492E-02 0.7002 20 1
6514 . 55.59100 52.000 133.82 1.0000 0.0000 1.92308E-02 0.7002 20 1
6515 . 55.59800 51.000 129.70 1.0000 0.0000 1.96078E-02 0.6997 20 1
6516 . 55.60500 63.000 125.53 1.0000 0.0000 1.58730E-02 0.7002 20 1
6517 . 55.61200 65.000 121.82 1.0000 0.0000 1.53846E-02 0.6997 20 1
6518 . 55.61900 58.000 118.86 1.0000 0.0000 1.72414E-02 0.7002 20 1
6519 . 55.62600 49.000 116.69 1.0000 0.0000 2.04082E-02 0.7002 20 1
6520 . 55.63300 51.000 115.21 1.0000 0.0000 1.96078E-02 0.6997 20 1
6521 . 55.64000 59.000 114.27 1.0000 0.0000 1.69492E-02 0.7002 20 1
6522 . 55.64700 64.000 113.69 1.0000 0.0000 1.56250E-02 0.6997 20 1
6523 . 55.65400 63.000 113.33 1.0000 0.0000 1.58730E-02 0.7002 20 1
6524 . 55.66100 53.000 113.10 1.0000 0.0000 1.88679E-02 0.7002 20 1
6525 . 55.66800 54.000 112.95 1.0000 0.0000 1.85185E-02 0.6997 20 1
6526 . 55.67500 53.000 112.84 1.0000 0.0000 1.88679E-02 0.7002 20 1
6527 . 55.68200 57.000 112.74 1.0000 0.0000 1.75439E-02 0.6997 20 1
6528 . 55.68900 57.000 112.67 1.0000 0.0000 1.75439E-02 0.7002 20 1
6529 . 55.69600 54.000 112.60 1.0000 0.0000 1.85185E-02 0.7002 20 1
6530 . 55.70300 70.000 112.54 1.0000 0.0000 1.42857E-02 0.6997 20 1
6531 . 55.71000 60.000 112.49 1.0000 0.0000 1.66667E-02 0.7002 20 1
6532 . 55.71700 55.000 112.44 1.0000 0.0000 1.81818E-02 0.6997 20 1
6533 . 55.72400 57.000 112.39 1.0000 0.0000 1.75439E-02 0.7002 20 1
6534 B 55.73100 57.000 112.10 1.0000 0.0000 1.75439E-02 0.7002 0 1
6535 B 55.73800 59.000 112.08 1.0000 0.0000 1.69492E-02 0.6997 0 1
6536 B 55.74500 50.000 112.06 1.0000 0.0000 2.00000E-02 0.7002 0 1
6537 B 55.75200 52.000 112.04 1.0000 0.0000 1.92308E-02 0.6997 0 1
6538 B 55.75900 59.000 112.02 1.0000 0.0000 1.69492E-02 0.7002 0 1
6539 B 55.76600 67.000 112.00 1.0000 0.0000 1.49254E-02 0.7002 0 1
6540 B 55.77300 67.000 111.98 1.0000 0.0000 1.49254E-02 0.6997 0 1
6541 B 55.78000 61.000 111.96 1.0000 0.0000 1.63934E-02 0.7002 0 1
6542 B 55.78700 56.000 111.94 1.0000 0.0000 1.78571E-02 0.6997 0 1
6543 B 55.79400 67.000 111.92 1.0000 0.0000 1.49254E-02 0.7002 0 1
6544 B 55.80100 57.000 111.90 1.0000 0.0000 1.75439E-02 0.7002 0 1
6545 B 55.80800 53.000 111.88 1.0000 0.0000 1.88679E-02 0.6997 0 1
6546 B 55.81500 47.000 111.86 1.0000 0.0000 2.12766E-02 0.7002 0 1
6547 B 55.82200 57.000 111.84 1.0000 0.0000 1.75439E-02 0.6997 0 1
6548 B 55.82900 49.000 111.82 1.0000 0.0000 2.04082E-02 0.7002 0 1
6549 B 55.83600 58.000 111.81 1.0000 0.0000 1.72414E-02 0.7002 0 1
6550 B 55.84300 56.000 111.79 1.0000 0.0000 1.78571E-02 0.6997 0 1
6551 B 55.85000 68.000 111.77 1.0000 0.0000 1.47059E-02 0.7002 0 1
6552 B 55.85700 64.000 111.75 1.0000 0.0000 1.56250E-02 0.6997 0 1
6553 B 55.86400 64.000 111.73 1.0000 0.0000 1.56250E-02 0.7002 0 1
6554 B 55.87100 59.000 111.71 1.0000 0.0000 1.69492E-02 0.7002 0 1
6555 B 55.87800 51.000 111.69 1.0000 0.0000 1.96078E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 117
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6556 B 55.88500 60.000 111.67 1.0000 0.0000 1.66667E-02 0.7002 0 1
6557 B 55.89200 56.000 111.65 1.0000 0.0000 1.78571E-02 0.6997 0 1
6558 B 55.89900 70.000 111.63 1.0000 0.0000 1.42857E-02 0.7002 0 1
6559 B 55.90600 60.000 111.61 1.0000 0.0000 1.66667E-02 0.7002 0 1
6560 B 55.91300 50.000 111.59 1.0000 0.0000 2.00000E-02 0.6997 0 1
6561 B 55.92000 57.000 111.57 1.0000 0.0000 1.75439E-02 0.7002 0 1
6562 B 55.92700 53.000 111.55 1.0000 0.0000 1.88679E-02 0.6997 0 1
6563 B 55.93400 66.000 111.53 1.0000 0.0000 1.51515E-02 0.7002 0 1
6564 B 55.94100 71.000 111.51 1.0000 0.0000 1.40845E-02 0.7002 0 1
6565 B 55.94800 58.000 111.49 1.0000 0.0000 1.72414E-02 0.6997 0 1
6566 B 55.95500 64.000 111.47 1.0000 0.0000 1.56250E-02 0.7002 0 1
6567 B 55.96200 46.000 111.45 1.0000 0.0000 2.17391E-02 0.6997 0 1
6568 B 55.96900 49.000 111.43 1.0000 0.0000 2.04082E-02 0.7002 0 1
6569 B 55.97600 63.000 111.41 1.0000 0.0000 1.58730E-02 0.7002 0 1
6570 B 55.98300 65.000 111.39 1.0000 0.0000 1.53846E-02 0.6997 0 1
6571 B 55.99000 59.000 111.37 1.0000 0.0000 1.69492E-02 0.7002 0 1
6572 B 55.99700 66.000 111.35 1.0000 0.0000 1.51515E-02 0.6997 0 1
6573 B 56.00400 52.000 111.33 1.0000 0.0000 1.92308E-02 0.7002 0 1
6574 B 56.01100 64.000 111.31 1.0000 0.0000 1.56250E-02 0.7002 0 1
6575 B 56.01800 52.000 111.29 1.0000 0.0000 1.92308E-02 0.6997 0 1
6576 B 56.02500 61.000 111.27 1.0000 0.0000 1.63934E-02 0.7002 0 1
6577 B 56.03200 48.000 111.25 1.0000 0.0000 2.08333E-02 0.6997 0 1
6578 B 56.03900 53.000 111.23 1.0000 0.0000 1.88679E-02 0.7002 0 1
6579 B 56.04600 66.000 111.21 1.0000 0.0000 1.51515E-02 0.7002 0 1
6580 B 56.05300 66.000 111.19 1.0000 0.0000 1.51515E-02 0.6997 0 1
6581 B 56.06000 51.000 111.17 1.0000 0.0000 1.96078E-02 0.7002 0 1
6582 B 56.06700 60.000 111.15 1.0000 0.0000 1.66667E-02 0.6997 0 1
6583 B 56.07400 64.000 111.13 1.0000 0.0000 1.56250E-02 0.7002 0 1
6584 B 56.08100 54.000 111.11 1.0000 0.0000 1.85185E-02 0.7002 0 1
6585 B 56.08800 59.000 111.09 1.0000 0.0000 1.69492E-02 0.6997 0 1
6586 B 56.09500 68.000 111.07 1.0000 0.0000 1.47059E-02 0.7002 0 1
6587 B 56.10200 65.000 111.05 1.0000 0.0000 1.53846E-02 0.6997 0 1
6588 B 56.10900 57.000 111.03 1.0000 0.0000 1.75439E-02 0.7002 0 1
6589 B 56.11600 60.000 111.01 1.0000 0.0000 1.66667E-02 0.7002 0 1
6590 B 56.12300 43.000 110.99 1.0000 0.0000 2.32558E-02 0.6997 0 1
6591 B 56.13000 48.000 110.97 1.0000 0.0000 2.08333E-02 0.7002 0 1
6592 B 56.13700 71.000 110.95 1.0000 0.0000 1.40845E-02 0.6997 0 1
6593 B 56.14400 63.000 110.93 1.0000 0.0000 1.58730E-02 0.7002 0 1
6594 B 56.15100 58.000 110.91 1.0000 0.0000 1.72414E-02 0.7002 0 1
6595 B 56.15800 50.000 110.89 1.0000 0.0000 2.00000E-02 0.6997 0 1
6596 B 56.16500 58.000 110.87 1.0000 0.0000 1.72414E-02 0.7002 0 1
6597 B 56.17200 58.000 110.85 1.0000 0.0000 1.72414E-02 0.6997 0 1
6598 B 56.17900 59.000 110.83 1.0000 0.0000 1.69492E-02 0.7002 0 1
6599 B 56.18600 56.000 110.81 1.0000 0.0000 1.78571E-02 0.7002 0 1
6600 B 56.19300 57.000 110.79 1.0000 0.0000 1.75439E-02 0.6997 0 1
6601 B 56.20000 66.000 110.77 1.0000 0.0000 1.51515E-02 0.7002 0 1
6602 B 56.20700 67.000 110.75 1.0000 0.0000 1.49254E-02 0.6997 0 1
6603 B 56.21400 58.000 110.73 1.0000 0.0000 1.72414E-02 0.7002 0 1
6604 B 56.22100 52.000 110.71 1.0000 0.0000 1.92308E-02 0.7002 0 1
6605 B 56.22800 53.000 110.69 1.0000 0.0000 1.88679E-02 0.6997 0 1
6606 B 56.23500 61.000 110.67 1.0000 0.0000 1.63934E-02 0.7002 0 1
6607 B 56.24200 61.000 110.65 1.0000 0.0000 1.63934E-02 0.6997 0 1
6608 B 56.24900 72.000 110.63 1.0000 0.0000 1.38889E-02 0.7002 0 1
6609 B 56.25600 60.000 110.61 1.0000 0.0000 1.66667E-02 0.7002 0 1
6610 B 56.26300 61.000 110.60 1.0000 0.0000 1.63934E-02 0.6997 0 1
6611 B 56.27000 56.000 110.58 1.0000 0.0000 1.78571E-02 0.7002 0 1
6612 B 56.27700 63.000 110.56 1.0000 0.0000 1.58730E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 118
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6613 B 56.28400 57.000 110.54 1.0000 0.0000 1.75439E-02 0.7002 0 1
6614 B 56.29100 56.000 110.52 1.0000 0.0000 1.78571E-02 0.7002 0 1
6615 B 56.29800 58.000 110.50 1.0000 0.0000 1.72414E-02 0.6997 0 1
6616 B 56.30500 58.000 110.48 1.0000 0.0000 1.72414E-02 0.7002 0 1
6617 B 56.31200 55.000 110.46 1.0000 0.0000 1.81818E-02 0.6997 0 1
6618 B 56.31900 58.000 110.44 1.0000 0.0000 1.72414E-02 0.7002 0 1
6619 B 56.32600 63.000 110.42 1.0000 0.0000 1.58730E-02 0.7002 0 1
6620 B 56.33300 48.000 110.40 1.0000 0.0000 2.08333E-02 0.6997 0 1
6621 B 56.34000 73.000 110.38 1.0000 0.0000 1.36986E-02 0.7002 0 1
6622 B 56.34700 57.000 110.36 1.0000 0.0000 1.75439E-02 0.6997 0 1
6623 B 56.35400 67.000 110.34 1.0000 0.0000 1.49254E-02 0.7002 0 1
6624 B 56.36100 54.000 110.32 1.0000 0.0000 1.85185E-02 0.7002 0 1
6625 B 56.36800 60.000 110.30 1.0000 0.0000 1.66667E-02 0.6997 0 1
6626 B 56.37500 49.000 110.28 1.0000 0.0000 2.04082E-02 0.7002 0 1
6627 B 56.38200 63.000 110.26 1.0000 0.0000 1.58730E-02 0.6997 0 1
6628 B 56.38900 67.000 110.24 1.0000 0.0000 1.49254E-02 0.7002 0 1
6629 B 56.39600 60.000 110.22 1.0000 0.0000 1.66667E-02 0.7002 0 1
6630 B 56.40300 59.000 110.20 1.0000 0.0000 1.69492E-02 0.6997 0 1
6631 B 56.41000 56.000 110.18 1.0000 0.0000 1.78571E-02 0.7002 0 1
6632 B 56.41700 55.000 110.16 1.0000 0.0000 1.81818E-02 0.6997 0 1
6633 B 56.42400 48.000 110.14 1.0000 0.0000 2.08333E-02 0.7002 0 1
6634 B 56.43100 46.000 110.12 1.0000 0.0000 2.17391E-02 0.7002 0 1
6635 B 56.43800 55.000 110.10 1.0000 0.0000 1.81818E-02 0.6997 0 1
6636 B 56.44500 61.000 110.08 1.0000 0.0000 1.63934E-02 0.7002 0 1
6637 B 56.45200 58.000 110.06 1.0000 0.0000 1.72414E-02 0.6997 0 1
6638 B 56.45900 60.000 110.04 1.0000 0.0000 1.66667E-02 0.7002 0 1
6639 B 56.46600 43.000 110.02 1.0000 0.0000 2.32558E-02 0.7002 0 1
6640 B 56.47300 60.000 110.00 1.0000 0.0000 1.66667E-02 0.6997 0 1
6641 B 56.48000 59.000 109.98 1.0000 0.0000 1.69492E-02 0.7002 0 1
6642 B 56.48700 61.000 109.97 1.0000 0.0000 1.63934E-02 0.6997 0 1
6643 B 56.49400 59.000 109.95 1.0000 0.0000 1.69492E-02 0.7002 0 1
6644 B 56.50100 61.000 109.93 1.0000 0.0000 1.63934E-02 0.7002 0 1
6645 B 56.50800 51.000 109.91 1.0000 0.0000 1.96078E-02 0.6997 0 1
6646 B 56.51500 58.000 109.89 1.0000 0.0000 1.72414E-02 0.7002 0 1
6647 B 56.52200 62.000 109.87 1.0000 0.0000 1.61290E-02 0.6997 0 1
6648 B 56.52900 61.000 109.85 1.0000 0.0000 1.63934E-02 0.7002 0 1
6649 B 56.53600 62.000 109.83 1.0000 0.0000 1.61290E-02 0.7002 0 1
6650 B 56.54300 62.000 109.81 1.0000 0.0000 1.61290E-02 0.6997 0 1
6651 B 56.55000 61.000 109.79 1.0000 0.0000 1.63934E-02 0.7002 0 1
6652 B 56.55700 56.000 109.77 1.0000 0.0000 1.78571E-02 0.6997 0 1
6653 B 56.56400 64.000 109.75 1.0000 0.0000 1.56250E-02 0.7002 0 1
6654 B 56.57100 57.000 109.73 1.0000 0.0000 1.75439E-02 0.7002 0 1
6655 B 56.57800 64.000 109.71 1.0000 0.0000 1.56250E-02 0.6997 0 1
6656 B 56.58500 77.000 109.69 1.0000 0.0000 1.29870E-02 0.7002 0 1
6657 B 56.59200 65.000 109.67 1.0000 0.0000 1.53846E-02 0.6997 0 1
6658 B 56.59900 58.000 109.65 1.0000 0.0000 1.72414E-02 0.7002 0 1
6659 B 56.60600 64.000 109.63 1.0000 0.0000 1.56250E-02 0.7002 0 1
6660 B 56.61300 67.000 109.61 1.0000 0.0000 1.49254E-02 0.6997 0 1
6661 B 56.62000 60.000 109.59 1.0000 0.0000 1.66667E-02 0.7002 0 1
6662 B 56.62700 63.000 109.57 1.0000 0.0000 1.58730E-02 0.6997 0 1
6663 B 56.63400 59.000 109.55 1.0000 0.0000 1.69492E-02 0.7002 0 1
6664 B 56.64100 65.000 109.53 1.0000 0.0000 1.53846E-02 0.7002 0 1
6665 B 56.64800 60.000 109.51 1.0000 0.0000 1.66667E-02 0.6997 0 1
6666 B 56.65500 53.000 109.49 1.0000 0.0000 1.88679E-02 0.7002 0 1
6667 B 56.66200 59.000 109.47 1.0000 0.0000 1.69492E-02 0.6997 0 1
6668 B 56.66900 62.000 109.46 1.0000 0.0000 1.61290E-02 0.7002 0 1
6669 B 56.67600 74.000 109.44 1.0000 0.0000 1.35135E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 119
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6670 B 56.68300 58.000 109.42 1.0000 0.0000 1.72414E-02 0.6997 0 1
6671 B 56.69000 55.000 109.40 1.0000 0.0000 1.81818E-02 0.7002 0 1
6672 B 56.69700 49.000 109.38 1.0000 0.0000 2.04082E-02 0.6997 0 1
6673 B 56.70400 55.000 109.36 1.0000 0.0000 1.81818E-02 0.7002 0 1
6674 B 56.71100 50.000 109.34 1.0000 0.0000 2.00000E-02 0.7002 0 1
6675 B 56.71800 51.000 109.32 1.0000 0.0000 1.96078E-02 0.6997 0 1
6676 B 56.72500 60.000 109.30 1.0000 0.0000 1.66667E-02 0.7002 0 1
6677 B 56.73200 68.000 109.28 1.0000 0.0000 1.47059E-02 0.6997 0 1
6678 B 56.73900 77.000 109.26 1.0000 0.0000 1.29870E-02 0.7002 0 1
6679 B 56.74600 63.000 109.24 1.0000 0.0000 1.58730E-02 0.7002 0 1
6680 B 56.75300 55.000 109.22 1.0000 0.0000 1.81818E-02 0.6997 0 1
6681 B 56.76000 62.000 109.20 1.0000 0.0000 1.61290E-02 0.7002 0 1
6682 B 56.76700 58.000 109.18 1.0000 0.0000 1.72414E-02 0.6997 0 1
6683 B 56.77400 63.000 109.16 1.0000 0.0000 1.58730E-02 0.7002 0 1
6684 B 56.78100 64.000 109.14 1.0000 0.0000 1.56250E-02 0.7002 0 1
6685 B 56.78800 51.000 109.12 1.0000 0.0000 1.96078E-02 0.6997 0 1
6686 B 56.79500 67.000 109.10 1.0000 0.0000 1.49254E-02 0.7002 0 1
6687 B 56.80200 66.000 109.08 1.0000 0.0000 1.51515E-02 0.6997 0 1
6688 B 56.80900 58.000 109.06 1.0000 0.0000 1.72414E-02 0.7002 0 1
6689 B 56.81600 60.000 109.05 1.0000 0.0000 1.66667E-02 0.7002 0 1
6690 B 56.82300 59.000 109.03 1.0000 0.0000 1.69492E-02 0.6997 0 1
6691 B 56.83000 65.000 109.01 1.0000 0.0000 1.53846E-02 0.7002 0 1
6692 B 56.83700 60.000 108.99 1.0000 0.0000 1.66667E-02 0.6997 0 1
6693 B 56.84400 57.000 108.97 1.0000 0.0000 1.75439E-02 0.7002 0 1
6694 B 56.85100 62.000 108.95 1.0000 0.0000 1.61290E-02 0.7002 0 1
6695 B 56.85800 63.000 108.93 1.0000 0.0000 1.58730E-02 0.6997 0 1
6696 B 56.86500 62.000 108.91 1.0000 0.0000 1.61290E-02 0.7002 0 1
6697 B 56.87200 65.000 108.89 1.0000 0.0000 1.53846E-02 0.6997 0 1
6698 B 56.87900 71.000 108.87 1.0000 0.0000 1.40845E-02 0.7002 0 1
6699 B 56.88600 74.000 108.85 1.0000 0.0000 1.35135E-02 0.7002 0 1
6700 B 56.89300 60.000 108.83 1.0000 0.0000 1.66667E-02 0.6997 0 1
6701 B 56.90000 55.000 108.81 1.0000 0.0000 1.81818E-02 0.7002 0 1
6702 B 56.90700 54.000 108.79 1.0000 0.0000 1.85185E-02 0.6997 0 1
6703 B 56.91400 57.000 108.77 1.0000 0.0000 1.75439E-02 0.7002 0 1
6704 B 56.92100 77.000 108.75 1.0000 0.0000 1.29870E-02 0.7002 0 1
6705 B 56.92800 71.000 108.73 1.0000 0.0000 1.40845E-02 0.6997 0 1
6706 B 56.93500 58.000 108.71 1.0000 0.0000 1.72414E-02 0.7002 0 1
6707 B 56.94200 66.000 108.69 1.0000 0.0000 1.51515E-02 0.6997 0 1
6708 B 56.94900 65.000 108.68 1.0000 0.0000 1.53846E-02 0.7002 0 1
6709 B 56.95600 64.000 108.66 1.0000 0.0000 1.56250E-02 0.7002 0 1
6710 B 56.96300 54.000 108.64 1.0000 0.0000 1.85185E-02 0.6997 0 1
6711 B 56.97000 60.000 108.62 1.0000 0.0000 1.66667E-02 0.7002 0 1
6712 B 56.97700 66.000 108.60 1.0000 0.0000 1.51515E-02 0.6997 0 1
6713 B 56.98400 56.000 108.58 1.0000 0.0000 1.78571E-02 0.7002 0 1
6714 B 56.99100 64.000 108.56 1.0000 0.0000 1.56250E-02 0.7002 0 1
6715 B 56.99800 59.000 108.54 1.0000 0.0000 1.69492E-02 0.6997 0 1
6716 B 57.00500 61.000 108.52 1.0000 0.0000 1.63934E-02 0.7002 0 1
6717 B 57.01200 68.000 108.50 1.0000 0.0000 1.47059E-02 0.6997 0 1
6718 B 57.01900 60.000 108.48 1.0000 0.0000 1.66667E-02 0.7002 0 1
6719 B 57.02600 64.000 108.46 1.0000 0.0000 1.56250E-02 0.7002 0 1
6720 B 57.03300 58.000 108.44 1.0000 0.0000 1.72414E-02 0.6997 0 1
6721 B 57.04000 66.000 108.42 1.0000 0.0000 1.51515E-02 0.7002 0 1
6722 B 57.04700 70.000 108.40 1.0000 0.0000 1.42857E-02 0.6997 0 1
6723 B 57.05400 71.000 108.38 1.0000 0.0000 1.40845E-02 0.7002 0 1
6724 B 57.06100 68.000 108.36 1.0000 0.0000 1.47059E-02 0.7002 0 1
6725 B 57.06800 56.000 108.35 1.0000 0.0000 1.78571E-02 0.6997 0 1
6726 B 57.07500 54.000 108.33 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 120
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6727 B 57.08200 69.000 108.31 1.0000 0.0000 1.44928E-02 0.6997 0 1
6728 B 57.08900 67.000 108.29 1.0000 0.0000 1.49254E-02 0.7002 0 1
6729 B 57.09600 57.000 108.27 1.0000 0.0000 1.75439E-02 0.7002 0 1
6730 B 57.10300 66.000 108.25 1.0000 0.0000 1.51515E-02 0.6997 0 1
6731 B 57.11000 70.000 108.23 1.0000 0.0000 1.42857E-02 0.7002 0 1
6732 B 57.11700 74.000 108.21 1.0000 0.0000 1.35135E-02 0.6997 0 1
6733 B 57.12400 58.000 108.19 1.0000 0.0000 1.72414E-02 0.7002 0 1
6734 B 57.13100 69.000 108.17 1.0000 0.0000 1.44928E-02 0.7002 0 1
6735 B 57.13800 68.000 108.15 1.0000 0.0000 1.47059E-02 0.6997 0 1
6736 B 57.14500 61.000 108.13 1.0000 0.0000 1.63934E-02 0.7002 0 1
6737 B 57.15200 68.000 108.11 1.0000 0.0000 1.47059E-02 0.6997 0 1
6738 B 57.15900 66.000 108.09 1.0000 0.0000 1.51515E-02 0.7002 0 1
6739 B 57.16600 62.000 108.07 1.0000 0.0000 1.61290E-02 0.7002 0 1
6740 B 57.17300 63.000 108.05 1.0000 0.0000 1.58730E-02 0.6997 0 1
6741 B 57.18000 78.000 108.04 1.0000 0.0000 1.28205E-02 0.7002 0 1
6742 B 57.18700 68.000 108.02 1.0000 0.0000 1.47059E-02 0.6997 0 1
6743 B 57.19400 65.000 108.00 1.0000 0.0000 1.53846E-02 0.7002 0 1
6744 B 57.20100 80.000 107.98 1.0000 0.0000 1.25000E-02 0.7002 0 1
6745 B 57.20800 83.000 107.96 1.0000 0.0000 1.20482E-02 0.6997 0 1
6746 B 57.21500 65.000 107.94 1.0000 0.0000 1.53846E-02 0.7002 0 1
6747 B 57.22200 52.000 107.92 1.0000 0.0000 1.92308E-02 0.6997 0 1
6748 B 57.22900 66.000 107.90 1.0000 0.0000 1.51515E-02 0.7002 0 1
6749 B 57.23600 78.000 107.88 1.0000 0.0000 1.28205E-02 0.7002 0 1
6750 B 57.24300 75.000 107.86 1.0000 0.0000 1.33333E-02 0.6997 0 1
6751 B 57.25000 61.000 107.84 1.0000 0.0000 1.63934E-02 0.7002 0 1
6752 B 57.25700 75.000 107.82 1.0000 0.0000 1.33333E-02 0.6997 0 1
6753 B 57.26400 83.000 107.80 1.0000 0.0000 1.20482E-02 0.7002 0 1
6754 B 57.27100 75.000 107.78 1.0000 0.0000 1.33333E-02 0.7002 0 1
6755 B 57.27800 63.000 107.77 1.0000 0.0000 1.58730E-02 0.6997 0 1
6756 B 57.28500 72.000 107.75 1.0000 0.0000 1.38889E-02 0.7002 0 1
6757 B 57.29200 72.000 107.73 1.0000 0.0000 1.38889E-02 0.6997 0 1
6758 B 57.29900 70.000 107.71 1.0000 0.0000 1.42857E-02 0.7002 0 1
6759 B 57.30600 73.000 107.69 1.0000 0.0000 1.36986E-02 0.7002 0 1
6760 B 57.31300 77.000 107.67 1.0000 0.0000 1.29870E-02 0.6997 0 1
6761 B 57.32000 85.000 107.65 1.0000 0.0000 1.17647E-02 0.7002 0 1
6762 B 57.32700 78.000 107.63 1.0000 0.0000 1.28205E-02 0.6997 0 1
6763 B 57.33400 68.000 107.61 1.0000 0.0000 1.47059E-02 0.7002 0 1
6764 B 57.34100 67.000 107.59 1.0000 0.0000 1.49254E-02 0.7002 0 1
6765 B 57.34800 65.000 107.57 1.0000 0.0000 1.53846E-02 0.6997 0 1
6766 B 57.35500 62.000 107.55 1.0000 0.0000 1.61290E-02 0.7002 0 1
6767 B 57.36200 74.000 107.53 1.0000 0.0000 1.35135E-02 0.6997 0 1
6768 B 57.36900 73.000 107.51 1.0000 0.0000 1.36986E-02 0.7002 0 1
6769 B 57.37600 77.000 107.50 1.0000 0.0000 1.29870E-02 0.7002 0 1
6770 B 57.38300 76.000 107.48 1.0000 0.0000 1.31579E-02 0.6997 0 1
6771 B 57.39000 72.000 107.46 1.0000 0.0000 1.38889E-02 0.7002 0 1
6772 B 57.39700 72.000 107.44 1.0000 0.0000 1.38889E-02 0.6997 0 1
6773 B 57.40400 83.000 107.42 1.0000 0.0000 1.20482E-02 0.7002 0 1
6774 B 57.41100 92.000 107.40 1.0000 0.0000 1.08696E-02 0.7002 0 1
6775 B 57.41800 65.000 107.38 1.0000 0.0000 1.53846E-02 0.6997 0 1
6776 B 57.42500 74.000 107.36 1.0000 0.0000 1.35135E-02 0.7002 0 1
6777 B 57.43200 78.000 107.34 1.0000 0.0000 1.28205E-02 0.6997 0 1
6778 B 57.43900 72.000 107.32 1.0000 0.0000 1.38889E-02 0.7002 0 1
6779 B 57.44600 64.000 107.30 1.0000 0.0000 1.56250E-02 0.7002 0 1
6780 B 57.45300 77.000 107.28 1.0000 0.0000 1.29870E-02 0.6997 0 1
6781 B 57.46000 73.000 107.26 1.0000 0.0000 1.36986E-02 0.7002 0 1
6782 B 57.46700 81.000 107.25 1.0000 0.0000 1.23457E-02 0.6997 0 1
6783 B 57.47400 79.000 107.23 1.0000 0.0000 1.26582E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 121
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6784 B 57.48100 73.000 107.21 1.0000 0.0000 1.36986E-02 0.7002 0 1
6785 B 57.48800 70.000 107.19 1.0000 0.0000 1.42857E-02 0.6997 0 1
6786 B 57.49500 75.000 107.17 1.0000 0.0000 1.33333E-02 0.7002 0 1
6787 B 57.50200 83.000 107.15 1.0000 0.0000 1.20482E-02 0.6997 0 1
6788 B 57.50900 79.000 107.13 1.0000 0.0000 1.26582E-02 0.7002 0 1
6789 B 57.51600 99.000 107.11 1.0000 0.0000 1.01010E-02 0.7002 0 1
6790 B 57.52300 77.000 107.09 1.0000 0.0000 1.29870E-02 0.6997 0 1
6791 B 57.53000 82.000 107.07 1.0000 0.0000 1.21951E-02 0.7002 0 1
6792 B 57.53700 84.000 107.05 1.0000 0.0000 1.19048E-02 0.6997 0 1
6793 B 57.54400 83.000 107.03 1.0000 0.0000 1.20482E-02 0.7002 0 1
6794 B 57.55100 83.000 107.01 1.0000 0.0000 1.20482E-02 0.7002 0 1
6795 B 57.55800 86.000 107.00 1.0000 0.0000 1.16279E-02 0.6997 0 1
6796 B 57.56500 100.00 106.98 1.0000 0.0000 1.00000E-02 0.7002 0 1
6797 B 57.57200 81.000 106.96 1.0000 0.0000 1.23457E-02 0.6997 0 1
6798 B 57.57900 87.000 106.94 1.0000 0.0000 1.14943E-02 0.7002 0 1
6799 B 57.58600 93.000 106.92 1.0000 0.0000 1.07527E-02 0.7002 0 1
6800 B 57.59300 92.000 106.90 1.0000 0.0000 1.08696E-02 0.6997 0 1
6801 B 57.60000 93.000 106.88 1.0000 0.0000 1.07527E-02 0.7002 0 1
6802 B 57.60700 89.000 106.86 1.0000 0.0000 1.12360E-02 0.6997 0 1
6803 B 57.61400 93.000 106.84 1.0000 0.0000 1.07527E-02 0.7002 0 1
6804 B 57.62100 95.000 106.82 1.0000 0.0000 1.05263E-02 0.7002 0 1
6805 B 57.62800 97.000 106.80 1.0000 0.0000 1.03093E-02 0.6997 0 1
6806 B 57.63500 97.000 106.79 1.0000 0.0000 1.03093E-02 0.7002 0 1
6807 B 57.64200 91.000 106.77 1.0000 0.0000 1.09890E-02 0.6997 0 1
6808 B 57.64900 87.000 106.75 1.0000 0.0000 1.14943E-02 0.7002 0 1
6809 B 57.65600 98.000 106.73 1.0000 0.0000 1.02041E-02 0.7002 0 1
6810 B 57.66300 101.00 106.71 1.0000 0.0000 9.90099E-03 0.6997 0 1
6811 B 57.67000 108.00 106.69 1.0000 0.0000 9.25926E-03 0.7002 0 1
6812 B 57.67700 102.00 106.67 1.0000 0.0000 9.80392E-03 0.6997 0 1
6813 B 57.68400 94.000 106.65 1.0000 0.0000 1.06383E-02 0.7002 0 1
6814 B 57.69100 87.000 106.63 1.0000 0.0000 1.14943E-02 0.7002 0 1
6815 B 57.69800 97.000 106.61 1.0000 0.0000 1.03093E-02 0.6997 0 1
6816 B 57.70500 107.00 106.59 1.0000 0.0000 9.34579E-03 0.7002 0 1
6817 B 57.71200 97.000 106.57 1.0000 0.0000 1.03093E-02 0.6997 0 1
6818 B 57.71900 104.00 106.56 1.0000 0.0000 9.61538E-03 0.7002 0 1
6819 B 57.72600 94.000 106.54 1.0000 0.0000 1.06383E-02 0.7002 0 1
6820 B 57.73300 107.00 106.52 1.0000 0.0000 9.34579E-03 0.6997 0 1
6821 B 57.74000 107.00 106.50 1.0000 0.0000 9.34579E-03 0.7002 0 1
6822 B 57.74700 125.00 106.48 1.0000 0.0000 8.00000E-03 0.6997 0 1
6823 B 57.75400 87.000 106.46 1.0000 0.0000 1.14943E-02 0.7002 0 1
6824 B 57.76100 113.00 106.44 1.0000 0.0000 8.84956E-03 0.7002 0 1
6825 B 57.76800 115.00 106.42 1.0000 0.0000 8.69565E-03 0.6997 0 1
6826 B 57.77500 110.00 106.40 1.0000 0.0000 9.09091E-03 0.7002 0 1
6827 B 57.78200 107.00 106.38 1.0000 0.0000 9.34579E-03 0.6997 0 1
6828 B 57.78900 115.00 106.36 1.0000 0.0000 8.69565E-03 0.7002 0 1
6829 B 57.79600 115.00 106.35 1.0000 0.0000 8.69565E-03 0.7002 0 1
6830 B 57.80300 117.00 106.33 1.0000 0.0000 8.54701E-03 0.6997 0 1
6831 B 57.81000 121.00 106.31 1.0000 0.0000 8.26446E-03 0.7002 0 1
6832 B 57.81700 123.00 106.29 1.0000 0.0000 8.13008E-03 0.6997 0 1
6833 B 57.82400 122.00 106.27 1.0000 0.0000 8.19672E-03 0.7002 0 1
6834 B 57.83100 133.00 106.25 1.0000 0.0000 7.51880E-03 0.7002 0 1
6835 B 57.83800 135.00 106.23 1.0000 0.0000 7.40741E-03 0.6997 0 1
6836 B 57.84500 149.00 106.21 1.0000 0.0000 6.71141E-03 0.7002 0 1
6837 B 57.85200 137.00 106.19 1.0000 0.0000 7.29927E-03 0.6997 0 1
6838 B 57.85900 160.00 106.17 1.0000 0.0000 6.25000E-03 0.7002 0 1
6839 B 57.86600 146.00 106.16 1.0000 0.0000 6.84932E-03 0.7002 0 1
6840 B 57.87300 139.00 106.14 1.0000 0.0000 7.19424E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 122
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6841 B 57.88000 146.00 106.12 1.0000 0.0000 6.84932E-03 0.7002 0 1
6842 B 57.88700 162.00 106.10 1.0000 0.0000 6.17284E-03 0.6997 0 1
6843 B 57.89400 148.00 106.08 1.0000 0.0000 6.75676E-03 0.7002 0 1
6844 B 57.90100 150.00 106.06 1.0000 0.0000 6.66667E-03 0.7002 0 1
6845 B 57.90800 176.00 106.04 1.0000 0.0000 5.68182E-03 0.6997 0 1
6846 B 57.91500 176.00 106.02 1.0000 0.0000 5.68182E-03 0.7002 0 1
6847 B 57.92200 169.00 106.00 1.0000 0.0000 5.91716E-03 0.6997 0 1
6848 B 57.92900 164.00 105.98 1.0000 0.0000 6.09756E-03 0.7002 0 1
6849 B 57.93600 171.00 105.97 1.0000 0.0000 5.84795E-03 0.7002 0 1
6850 B 57.94300 155.00 105.95 1.0000 0.0000 6.45161E-03 0.6997 0 1
6851 B 57.95000 166.00 105.93 1.0000 0.0000 6.02410E-03 0.7002 0 1
6852 B 57.95700 190.00 105.91 1.0000 0.0000 5.26316E-03 0.6997 0 1
6853 B 57.96400 161.00 105.89 1.0000 0.0000 6.21118E-03 0.7002 0 1
6854 B 57.97100 201.00 105.87 1.0000 0.0000 4.97512E-03 0.7002 0 1
6855 B 57.97800 180.00 105.85 1.0000 0.0000 5.55556E-03 0.6997 0 1
6856 B 57.98500 164.00 105.83 1.0000 0.0000 6.09756E-03 0.7002 0 1
6857 B 57.99200 179.00 105.81 1.0000 0.0000 5.58659E-03 0.6997 0 1
6858 B 57.99900 201.00 105.79 1.0000 0.0000 4.97512E-03 0.7002 0 1
6859 B 58.00600 219.00 105.78 1.0000 0.0000 4.56621E-03 0.7002 0 1
6860 B 58.01300 204.00 105.76 1.0000 0.0000 4.90196E-03 0.6997 0 1
6861 B 58.02000 207.00 105.74 1.0000 0.0000 4.83092E-03 0.7002 0 1
6862 B 58.02700 214.00 105.72 1.0000 0.0000 4.67290E-03 0.6997 0 1
6863 B 58.03400 210.00 105.70 1.0000 0.0000 4.76190E-03 0.7002 0 1
6864 B 58.04100 234.00 105.68 1.0000 0.0000 4.27350E-03 0.7002 0 1
6865 B 58.04800 253.00 105.66 1.0000 0.0000 3.95257E-03 0.6997 0 1
6866 B 58.05500 236.00 105.64 1.0000 0.0000 4.23729E-03 0.7002 0 1
6867 B 58.06200 270.00 105.62 1.0000 0.0000 3.70370E-03 0.6997 0 1
6868 B 58.06900 251.00 105.60 1.0000 0.0000 3.98406E-03 0.7002 0 1
6869 B 58.07600 269.00 105.59 1.0000 0.0000 3.71747E-03 0.7002 0 1
6870 B 58.08300 264.00 105.57 1.0000 0.0000 3.78788E-03 0.6997 0 1
6871 B 58.09000 297.00 105.55 1.0000 0.0000 3.36700E-03 0.7002 0 1
6872 B 58.09700 293.00 105.53 1.0000 0.0000 3.41297E-03 0.6997 0 1
6873 B 58.10400 285.00 105.51 1.0000 0.0000 3.50877E-03 0.7002 0 1
6874 B 58.11100 327.00 105.49 1.0000 0.0000 3.05810E-03 0.7002 0 1
6875 B 58.11800 328.00 105.47 1.0000 0.0000 3.04878E-03 0.6997 0 1
6876 B 58.12500 323.00 105.45 1.0000 0.0000 3.09598E-03 0.7002 0 1
6877 B 58.13200 346.00 105.43 1.0000 0.0000 2.89017E-03 0.6997 0 1
6878 B 58.13900 334.00 105.42 1.0000 0.0000 2.99401E-03 0.7002 0 1
6879 B 58.14600 358.00 105.40 1.0000 0.0000 2.79330E-03 0.7002 0 1
6880 B 58.15300 340.00 105.38 1.0000 0.0000 2.94118E-03 0.6997 0 1
6881 B 58.16000 391.00 105.36 1.0000 0.0000 2.55754E-03 0.7002 0 1
6882 B 58.16700 406.00 105.34 1.0000 0.0000 2.46305E-03 0.6997 0 1
6883 B 58.17400 429.00 105.32 1.0000 0.0000 2.33100E-03 0.7002 0 1
6884 B 58.18100 401.00 105.30 1.0000 0.0000 2.49377E-03 0.7002 0 1
6885 B 58.18800 429.00 105.28 1.0000 0.0000 2.33100E-03 0.6997 0 1
6886 B 58.19500 444.00 105.26 1.0000 0.0000 2.25225E-03 0.7002 0 1
6887 B 58.20200 505.00 105.25 1.0000 0.0000 1.98020E-03 0.6997 0 1
6888 B 58.20900 507.00 105.23 1.0000 0.0000 1.97239E-03 0.7002 0 1
6889 B 58.21600 517.00 105.21 1.0000 0.0000 1.93424E-03 0.7002 0 1
6890 B 58.22300 525.00 105.19 1.0000 0.0000 1.90476E-03 0.6997 0 1
6891 B 58.23000 527.00 105.17 1.0000 0.0000 1.89753E-03 0.7002 0 1
6892 B 58.23700 522.00 105.15 1.0000 0.0000 1.91571E-03 0.6997 0 1
6893 B 58.24400 541.00 105.13 1.0000 0.0000 1.84843E-03 0.7002 0 1
6894 B 58.25100 564.00 105.11 1.0000 0.0000 1.77305E-03 0.7002 0 1
6895 B 58.25800 607.00 105.09 1.0000 0.0000 1.64745E-03 0.6997 0 1
6896 B 58.26500 599.00 105.08 1.0000 0.0000 1.66945E-03 0.7002 0 1
6897 B 58.27200 601.00 105.06 1.0000 0.0000 1.66389E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 123
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6898 B 58.27900 626.00 105.04 1.0000 0.0000 1.59744E-03 0.7002 0 1
6899 B 58.28600 649.00 105.02 1.0000 0.0000 1.54083E-03 0.7002 0 1
6900 B 58.29300 641.00 105.00 1.0000 0.0000 1.56006E-03 0.6997 0 1
6901 B 58.30000 707.00 104.98 1.0000 0.0000 1.41443E-03 0.7002 0 1
6902 B 58.30700 681.00 104.96 1.0000 0.0000 1.46843E-03 0.6997 0 1
6903 B 58.31400 692.00 104.94 1.0000 0.0000 1.44509E-03 0.7002 0 1
6904 B 58.32100 696.00 104.92 1.0000 0.0000 1.43678E-03 0.7002 0 1
6905 B 58.32800 732.00 104.91 1.0000 0.0000 1.36612E-03 0.6997 0 1
6906 B 58.33500 717.00 104.89 1.0000 0.0000 1.39470E-03 0.7002 0 1
6907 B 58.34200 725.00 104.87 1.0000 0.0000 1.37931E-03 0.6997 0 1
6908 B 58.34900 727.00 104.85 1.0000 0.0000 1.37552E-03 0.7002 0 1
6909 B 58.35600 713.00 104.83 1.0000 0.0000 1.40252E-03 0.7002 0 1
6910 B 58.36300 722.00 104.81 1.0000 0.0000 1.38504E-03 0.6997 0 1
6911 B 58.37000 714.00 104.79 1.0000 0.0000 1.40056E-03 0.7002 0 1
6912 B 58.37700 718.00 104.77 1.0000 0.0000 1.39276E-03 0.6997 0 1
6913 B 58.38400 733.00 104.75 1.0000 0.0000 1.36426E-03 0.7002 0 1
6914 B 58.39100 707.00 104.74 1.0000 0.0000 1.41443E-03 0.7002 0 1
6915 B 58.39800 671.00 104.72 1.0000 0.0000 1.49031E-03 0.6997 0 1
6916 B 58.40500 676.00 104.70 1.0000 0.0000 1.47929E-03 0.7002 0 1
6917 B 58.41200 704.00 104.68 1.0000 0.0000 1.42045E-03 0.6997 0 1
6918 B 58.41900 688.00 104.66 1.0000 0.0000 1.45349E-03 0.7002 0 1
6919 B 58.42600 670.00 104.64 1.0000 0.0000 1.49254E-03 0.7002 0 1
6920 B 58.43300 637.00 104.62 1.0000 0.0000 1.56986E-03 0.6997 0 1
6921 B 58.44000 609.00 104.60 1.0000 0.0000 1.64204E-03 0.7002 0 1
6922 B 58.44700 593.00 104.59 1.0000 0.0000 1.68634E-03 0.6997 0 1
6923 B 58.45400 593.00 104.57 1.0000 0.0000 1.68634E-03 0.7002 0 1
6924 B 58.46100 577.00 104.55 1.0000 0.0000 1.73310E-03 0.7002 0 1
6925 B 58.46800 558.00 104.53 1.0000 0.0000 1.79211E-03 0.6997 0 1
6926 B 58.47500 586.00 104.51 1.0000 0.0000 1.70648E-03 0.7002 0 1
6927 B 58.48200 560.00 104.49 1.0000 0.0000 1.78571E-03 0.6997 0 1
6928 B 58.48900 567.00 104.47 1.0000 0.0000 1.76367E-03 0.7002 0 1
6929 B 58.49600 525.00 104.45 1.0000 0.0000 1.90476E-03 0.7002 0 1
6930 . 58.50300 529.00 105.30 1.0000 0.0000 1.89036E-03 0.6997 21 1
6931 . 58.51000 496.00 105.33 1.0000 0.0000 2.01613E-03 0.7002 21 1
6932 . 58.51700 494.00 105.36 1.0000 0.0000 2.02429E-03 0.6997 21 1
6933 . 58.52400 506.00 105.40 1.0000 0.0000 1.97628E-03 0.7002 21 1
6934 . 58.53100 457.00 105.44 1.0000 0.0000 2.18818E-03 0.7002 21 1
6935 . 58.53800 425.00 105.49 1.0000 0.0000 2.35294E-03 0.6997 21 1
6936 . 58.54500 415.00 105.54 1.0000 0.0000 2.40964E-03 0.7002 21 1
6937 . 58.55200 402.00 105.61 1.0000 0.0000 2.48756E-03 0.6997 21 1
6938 . 58.55900 408.00 105.68 1.0000 0.0000 2.45098E-03 0.7002 21 1
6939 . 58.56600 397.00 105.76 1.0000 0.0000 2.51889E-03 0.7002 21 1
6940 . 58.57300 370.00 105.85 1.0000 0.0000 2.70270E-03 0.6997 21 1
6941 . 58.58000 386.00 105.96 1.0000 0.0000 2.59067E-03 0.7002 21 1
6942 . 58.58700 364.00 106.08 1.0000 0.0000 2.74725E-03 0.6997 21 1
6943 . 58.59400 332.00 106.21 1.0000 0.0000 3.01205E-03 0.7002 21 1
6944 . 58.60100 342.00 106.37 1.0000 0.0000 2.92398E-03 0.7002 21 1
6945 . 58.60800 342.00 106.55 1.0000 0.0000 2.92398E-03 0.6997 21 1
6946 . 58.61500 326.00 106.75 1.0000 0.0000 3.06748E-03 0.7002 21 1
6947 . 58.62200 342.00 107.00 1.0000 0.0000 2.92398E-03 0.6997 21 1
6948 . 58.62900 308.00 107.28 1.0000 0.0000 3.24675E-03 0.7002 21 1
6949 . 58.63600 318.00 107.60 1.0000 0.0000 3.14465E-03 0.7002 21 1
6950 . 58.64300 299.00 107.99 1.0000 0.0000 3.34448E-03 0.6997 21 1
6951 . 58.65000 282.00 108.46 1.0000 0.0000 3.54610E-03 0.7002 21 1
6952 . 58.65700 276.00 109.04 1.0000 0.0000 3.62319E-03 0.6997 21 1
6953 . 58.66400 269.00 110.51 1.0000 0.0000 3.71747E-03 0.7002 21 3
6954 . 58.67100 253.00 111.57 1.0000 0.0000 3.95257E-03 0.7002 21 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 124
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
6955 . 58.67800 259.00 113.11 1.0000 0.0000 3.86100E-03 0.6997 21 3
6956 . 58.68500 252.00 115.54 1.0000 0.0000 3.96825E-03 0.7002 21 3
6957 . 58.69200 238.00 119.52 1.0000 0.0000 4.20168E-03 0.6997 21 3
6958 . 58.69900 228.00 126.09 1.0000 0.0000 4.38596E-03 0.7002 21 3
6959 . 58.70600 244.00 136.65 1.0000 0.0000 4.09836E-03 0.7002 21 3
6960 . 58.71300 252.00 152.70 1.0000 0.0000 3.96825E-03 0.6997 21 3
6961 . 58.72000 247.00 175.56 1.0000 0.0000 4.04858E-03 0.7002 21 3
6962 . 58.72700 242.00 205.54 1.0000 0.0000 4.13223E-03 0.6997 21 3
6963 . 58.73400 244.00 241.35 1.0000 0.0000 4.09836E-03 0.7002 21 3
6964 . 58.74100 234.00 279.64 1.0000 0.0000 4.27350E-03 0.7002 21 3
6965 . 58.74800 228.00 314.65 1.0000 0.0000 4.38596E-03 0.6997 21 3
6966 .1 58.75500 228.00 338.91 1.0000 0.0000 4.38596E-03 0.7002 21 3
6967 . 58.76200 231.00 345.44 1.0000 0.0000 4.32900E-03 0.6997 21 3
6968 . 58.76900 209.00 332.11 1.0000 0.0000 4.78469E-03 0.7002 21 3
6969 . 58.77600 203.00 303.28 1.0000 0.0000 4.92611E-03 0.7002 21 3
6970 . 58.78300 202.00 266.59 1.0000 0.0000 4.95049E-03 0.6997 21 3
6971 . 58.79000 191.00 228.99 1.0000 0.0000 5.23560E-03 0.7002 21 3
6972 . 58.79700 183.00 195.40 1.0000 0.0000 5.46448E-03 0.6997 21 3
6973 . 58.80400 194.00 168.42 1.0000 0.0000 5.15464E-03 0.7002 21 3
6974 . 58.81100 174.00 148.64 1.0000 0.0000 5.74713E-03 0.7002 21 3
6975 . 58.81800 171.00 135.51 1.0000 0.0000 5.84795E-03 0.6997 21 4
6976 . 58.82500 180.00 127.36 1.0000 0.0000 5.55556E-03 0.7002 21 4
6977 . 58.83200 175.00 122.96 1.0000 0.0000 5.71429E-03 0.6997 21 4
6978 . 58.83900 204.00 121.28 1.0000 0.0000 4.90196E-03 0.7002 21 4
6979 . 58.84600 201.00 121.86 1.0000 0.0000 4.97512E-03 0.7002 21 4
6980 . 58.85300 185.00 124.87 1.0000 0.0000 5.40541E-03 0.6997 21 4
6981 . 58.86000 163.00 130.99 1.0000 0.0000 6.13497E-03 0.7002 21 4
6982 . 58.86700 166.00 141.29 1.0000 0.0000 6.02410E-03 0.6997 21 4
6983 . 58.87400 165.00 156.85 1.0000 0.0000 6.06061E-03 0.7002 21 4
6984 . 58.88100 159.00 178.34 1.0000 0.0000 6.28931E-03 0.7002 21 4
6985 . 58.88800 160.00 205.33 1.0000 0.0000 6.25000E-03 0.6997 21 4
6986 . 58.89500 163.00 235.89 1.0000 0.0000 6.13497E-03 0.7002 21 4
6987 . 58.90200 172.00 266.18 1.0000 0.0000 5.81395E-03 0.6997 21 4
6988 .1 58.90900 173.00 290.61 1.0000 0.0000 5.78035E-03 0.7002 21 4
6989 .1 58.91600 173.00 303.03 1.0000 0.0000 5.78035E-03 0.7002 21 4
6990 . 58.92300 189.00 299.49 1.0000 0.0000 5.29101E-03 0.6997 21 4
6991 . 58.93000 174.00 281.08 1.0000 0.0000 5.74713E-03 0.7002 21 4
6992 . 58.93700 155.00 253.09 1.0000 0.0000 6.45161E-03 0.6997 21 4
6993 . 58.94400 168.00 221.72 1.0000 0.0000 5.95238E-03 0.7002 21 4
6994 . 58.95100 159.00 191.83 1.0000 0.0000 6.28931E-03 0.7002 21 4
6995 . 58.95800 156.00 166.49 1.0000 0.0000 6.41026E-03 0.6997 21 4
6996 . 58.96500 156.00 146.92 1.0000 0.0000 6.41026E-03 0.7002 21 4
6997 . 58.97200 155.00 133.03 1.0000 0.0000 6.45161E-03 0.6997 21 4
6998 . 58.97900 146.00 123.86 1.0000 0.0000 6.84932E-03 0.7002 21 4
6999 . 58.98600 162.00 118.16 1.0000 0.0000 6.17284E-03 0.7002 21 4
7000 . 58.99300 161.00 114.83 1.0000 0.0000 6.21118E-03 0.6997 21 4
7001 . 59.00000 155.00 113.04 1.0000 0.0000 6.45161E-03 0.7002 21 4
7002 . 59.00700 141.00 112.32 1.0000 0.0000 7.09220E-03 0.6997 21 4
7003 . 59.01400 150.00 111.59 1.0000 0.0000 6.66667E-03 0.7002 22 3
7004 . 59.02100 146.00 112.74 1.0000 0.0000 6.84932E-03 0.7002 22 3
7005 . 59.02800 147.00 114.95 1.0000 0.0000 6.80272E-03 0.6997 22 3
7006 . 59.03500 116.00 118.39 1.0000 0.0000 8.62069E-03 0.7002 22 3
7007 . 59.04200 146.00 123.05 1.0000 0.0000 6.84932E-03 0.6997 22 3
7008 . 59.04900 164.00 128.68 1.0000 0.0000 6.09756E-03 0.7002 22 3
7009 . 59.05600 145.00 134.67 1.0000 0.0000 6.89655E-03 0.7002 22 3
7010 . 59.06300 153.00 140.03 1.0000 0.0000 6.53595E-03 0.6997 22 3
7011 .1 59.07000 157.00 143.51 1.0000 0.0000 6.36943E-03 0.7002 22 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 125
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7012 . 59.07700 145.00 144.02 1.0000 0.0000 6.89655E-03 0.6997 22 3
7013 . 59.08400 153.00 141.32 1.0000 0.0000 6.53595E-03 0.7002 22 3
7014 . 59.09100 151.00 136.21 1.0000 0.0000 6.62252E-03 0.7002 22 3
7015 . 59.09800 150.00 129.96 1.0000 0.0000 6.66667E-03 0.6997 22 3
7016 . 59.10500 139.00 123.66 1.0000 0.0000 7.19424E-03 0.7002 22 3
7017 . 59.11200 144.00 118.09 1.0000 0.0000 6.94444E-03 0.6997 22 3
7018 . 59.11900 151.00 113.63 1.0000 0.0000 6.62252E-03 0.7002 22 3
7019 . 59.12600 143.00 110.34 1.0000 0.0000 6.99301E-03 0.7002 22 3
7020 . 59.13300 161.00 108.08 1.0000 0.0000 6.21118E-03 0.6997 22 3
7021 . 59.14000 152.00 106.61 1.0000 0.0000 6.57895E-03 0.7002 22 3
7022 . 59.14700 159.00 105.69 1.0000 0.0000 6.28931E-03 0.6997 22 3
7023 . 59.15400 153.00 105.11 1.0000 0.0000 6.53595E-03 0.7002 22 3
7024 . 59.16100 160.00 104.73 1.0000 0.0000 6.25000E-03 0.7002 22 3
7025 . 59.16800 156.00 104.16 1.0000 0.0000 6.41026E-03 0.6997 23 2
7026 . 59.17500 143.00 103.54 1.0000 0.0000 6.99301E-03 0.7002 24 1
7027 . 59.18200 129.00 103.41 1.0000 0.0000 7.75194E-03 0.6997 24 1
7028 . 59.18900 133.00 103.30 1.0000 0.0000 7.51880E-03 0.7002 24 1
7029 . 59.19600 142.00 103.21 1.0000 0.0000 7.04225E-03 0.7002 24 1
7030 . 59.20300 151.00 103.13 1.0000 0.0000 6.62252E-03 0.6997 24 1
7031 . 59.21000 151.00 103.06 1.0000 0.0000 6.62252E-03 0.7002 24 1
7032 . 59.21700 143.00 102.99 1.0000 0.0000 6.99301E-03 0.6997 24 1
7033 . 59.22400 146.00 102.93 1.0000 0.0000 6.84932E-03 0.7002 24 1
7034 . 59.23100 146.00 102.88 1.0000 0.0000 6.84932E-03 0.7002 24 1
7035 . 59.23800 142.00 102.83 1.0000 0.0000 7.04225E-03 0.6997 24 1
7036 . 59.24500 133.00 102.79 1.0000 0.0000 7.51880E-03 0.7002 24 1
7037 . 59.25200 157.00 102.74 1.0000 0.0000 6.36943E-03 0.6997 24 1
7038 . 59.25900 151.00 102.70 1.0000 0.0000 6.62252E-03 0.7002 24 1
7039 . 59.26600 162.00 102.66 1.0000 0.0000 6.17284E-03 0.7002 24 1
7040 . 59.27300 134.00 102.63 1.0000 0.0000 7.46269E-03 0.6997 24 1
7041 . 59.28000 131.00 102.60 1.0000 0.0000 7.63359E-03 0.7002 24 1
7042 . 59.28700 133.00 102.56 1.0000 0.0000 7.51880E-03 0.6997 24 1
7043 . 59.29400 147.00 102.53 1.0000 0.0000 6.80272E-03 0.7002 24 1
7044 . 59.30100 159.00 102.50 1.0000 0.0000 6.28931E-03 0.7002 24 1
7045 . 59.30800 150.00 102.47 1.0000 0.0000 6.66667E-03 0.6997 24 1
7046 . 59.31500 145.00 102.44 1.0000 0.0000 6.89655E-03 0.7002 24 1
7047 . 59.32200 139.00 102.42 1.0000 0.0000 7.19424E-03 0.6997 24 1
7048 B 59.32900 147.00 102.24 1.0000 0.0000 6.80272E-03 0.7002 0 1
7049 B 59.33600 144.00 102.23 1.0000 0.0000 6.94444E-03 0.7002 0 1
7050 B 59.34300 161.00 102.21 1.0000 0.0000 6.21118E-03 0.6997 0 1
7051 B 59.35000 155.00 102.19 1.0000 0.0000 6.45161E-03 0.7002 0 1
7052 B 59.35700 165.00 102.17 1.0000 0.0000 6.06061E-03 0.6997 0 1
7053 B 59.36400 161.00 102.15 1.0000 0.0000 6.21118E-03 0.7002 0 1
7054 B 59.37100 156.00 102.13 1.0000 0.0000 6.41026E-03 0.7002 0 1
7055 B 59.37800 146.00 102.12 1.0000 0.0000 6.84932E-03 0.6997 0 1
7056 B 59.38500 141.00 102.10 1.0000 0.0000 7.09220E-03 0.7002 0 1
7057 B 59.39200 138.00 102.08 1.0000 0.0000 7.24638E-03 0.6997 0 1
7058 B 59.39900 145.00 102.06 1.0000 0.0000 6.89655E-03 0.7002 0 1
7059 B 59.40600 164.00 102.04 1.0000 0.0000 6.09756E-03 0.7002 0 1
7060 B 59.41300 158.00 102.02 1.0000 0.0000 6.32911E-03 0.6997 0 1
7061 B 59.42000 153.00 102.00 1.0000 0.0000 6.53595E-03 0.7002 0 1
7062 B 59.42700 168.00 101.99 1.0000 0.0000 5.95238E-03 0.6997 0 1
7063 B 59.43400 159.00 101.97 1.0000 0.0000 6.28931E-03 0.7002 0 1
7064 B 59.44100 159.00 101.95 1.0000 0.0000 6.28931E-03 0.7002 0 1
7065 B 59.44800 169.00 101.93 1.0000 0.0000 5.91716E-03 0.6997 0 1
7066 B 59.45500 153.00 101.91 1.0000 0.0000 6.53595E-03 0.7002 0 1
7067 B 59.46200 141.00 101.89 1.0000 0.0000 7.09220E-03 0.6997 0 1
7068 B 59.46900 160.00 101.88 1.0000 0.0000 6.25000E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 126
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7069 B 59.47600 175.00 101.86 1.0000 0.0000 5.71429E-03 0.7002 0 1
7070 B 59.48300 166.00 101.84 1.0000 0.0000 6.02410E-03 0.6997 0 1
7071 B 59.49000 158.00 101.82 1.0000 0.0000 6.32911E-03 0.7002 0 1
7072 B 59.49700 170.00 101.80 1.0000 0.0000 5.88235E-03 0.6997 0 1
7073 B 59.50400 169.00 101.78 1.0000 0.0000 5.91716E-03 0.7002 0 1
7074 B 59.51100 178.00 101.77 1.0000 0.0000 5.61798E-03 0.7002 0 1
7075 B 59.51800 178.00 101.75 1.0000 0.0000 5.61798E-03 0.6997 0 1
7076 B 59.52500 177.00 101.73 1.0000 0.0000 5.64972E-03 0.7002 0 1
7077 B 59.53200 168.00 101.71 1.0000 0.0000 5.95238E-03 0.6997 0 1
7078 B 59.53900 170.00 101.69 1.0000 0.0000 5.88235E-03 0.7002 0 1
7079 B 59.54600 198.00 101.68 1.0000 0.0000 5.05051E-03 0.7002 0 1
7080 B 59.55300 188.00 101.66 1.0000 0.0000 5.31915E-03 0.6997 0 1
7081 B 59.56000 160.00 101.64 1.0000 0.0000 6.25000E-03 0.7002 0 1
7082 B 59.56700 190.00 101.62 1.0000 0.0000 5.26316E-03 0.6997 0 1
7083 B 59.57400 182.00 101.60 1.0000 0.0000 5.49451E-03 0.7002 0 1
7084 B 59.58100 155.00 101.58 1.0000 0.0000 6.45161E-03 0.7002 0 1
7085 B 59.58800 197.00 101.57 1.0000 0.0000 5.07614E-03 0.6997 0 1
7086 B 59.59500 199.00 101.55 1.0000 0.0000 5.02513E-03 0.7002 0 1
7087 B 59.60200 174.00 101.53 1.0000 0.0000 5.74713E-03 0.6997 0 1
7088 B 59.60900 186.00 101.51 1.0000 0.0000 5.37634E-03 0.7002 0 1
7089 B 59.61600 183.00 101.49 1.0000 0.0000 5.46448E-03 0.7002 0 1
7090 B 59.62300 193.00 101.47 1.0000 0.0000 5.18135E-03 0.6997 0 1
7091 B 59.63000 217.00 101.46 1.0000 0.0000 4.60829E-03 0.7002 0 1
7092 B 59.63700 211.00 101.44 1.0000 0.0000 4.73934E-03 0.6997 0 1
7093 B 59.64400 206.00 101.42 1.0000 0.0000 4.85437E-03 0.7002 0 1
7094 B 59.65100 197.00 101.40 1.0000 0.0000 5.07614E-03 0.7002 0 1
7095 B 59.65800 195.00 101.38 1.0000 0.0000 5.12821E-03 0.6997 0 1
7096 B 59.66500 211.00 101.36 1.0000 0.0000 4.73934E-03 0.7002 0 1
7097 B 59.67200 203.00 101.35 1.0000 0.0000 4.92611E-03 0.6997 0 1
7098 B 59.67900 175.00 101.33 1.0000 0.0000 5.71429E-03 0.7002 0 1
7099 B 59.68600 220.00 101.31 1.0000 0.0000 4.54545E-03 0.7002 0 1
7100 B 59.69300 227.00 101.29 1.0000 0.0000 4.40529E-03 0.6997 0 1
7101 B 59.70000 231.00 101.27 1.0000 0.0000 4.32900E-03 0.7002 0 1
7102 B 59.70700 229.00 101.26 1.0000 0.0000 4.36681E-03 0.6997 0 1
7103 B 59.71400 226.00 101.24 1.0000 0.0000 4.42478E-03 0.7002 0 1
7104 B 59.72100 237.00 101.22 1.0000 0.0000 4.21941E-03 0.7002 0 1
7105 B 59.72800 235.00 101.20 1.0000 0.0000 4.25532E-03 0.6997 0 1
7106 B 59.73500 241.00 101.18 1.0000 0.0000 4.14938E-03 0.7002 0 1
7107 B 59.74200 234.00 101.16 1.0000 0.0000 4.27350E-03 0.6997 0 1
7108 B 59.74900 230.00 101.15 1.0000 0.0000 4.34783E-03 0.7002 0 1
7109 B 59.75600 238.00 101.13 1.0000 0.0000 4.20168E-03 0.7002 0 1
7110 B 59.76300 245.00 101.11 1.0000 0.0000 4.08163E-03 0.6997 0 1
7111 B 59.77000 229.00 101.09 1.0000 0.0000 4.36681E-03 0.7002 0 1
7112 B 59.77700 241.00 101.07 1.0000 0.0000 4.14938E-03 0.6997 0 1
7113 B 59.78400 235.00 101.05 1.0000 0.0000 4.25532E-03 0.7002 0 1
7114 B 59.79100 244.00 101.04 1.0000 0.0000 4.09836E-03 0.7002 0 1
7115 B 59.79800 263.00 101.02 1.0000 0.0000 3.80228E-03 0.6997 0 1
7116 B 59.80500 250.00 101.00 1.0000 0.0000 4.00000E-03 0.7002 0 1
7117 B 59.81200 274.00 100.98 1.0000 0.0000 3.64964E-03 0.6997 0 1
7118 B 59.81900 260.00 100.96 1.0000 0.0000 3.84615E-03 0.7002 0 1
7119 B 59.82600 276.00 100.95 1.0000 0.0000 3.62319E-03 0.7002 0 1
7120 B 59.83300 280.00 100.93 1.0000 0.0000 3.57143E-03 0.6997 0 1
7121 B 59.84000 274.00 100.91 1.0000 0.0000 3.64964E-03 0.7002 0 1
7122 B 59.84700 266.00 100.89 1.0000 0.0000 3.75940E-03 0.6997 0 1
7123 B 59.85400 284.00 100.87 1.0000 0.0000 3.52113E-03 0.7002 0 1
7124 B 59.86100 282.00 100.85 1.0000 0.0000 3.54610E-03 0.7002 0 1
7125 B 59.86800 276.00 100.84 1.0000 0.0000 3.62319E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 127
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7126 B 59.87500 281.00 100.82 1.0000 0.0000 3.55872E-03 0.7002 0 1
7127 B 59.88200 282.00 100.80 1.0000 0.0000 3.54610E-03 0.6997 0 1
7128 B 59.88900 271.00 100.78 1.0000 0.0000 3.69004E-03 0.7002 0 1
7129 B 59.89600 297.00 100.76 1.0000 0.0000 3.36700E-03 0.7002 0 1
7130 B 59.90300 291.00 100.75 1.0000 0.0000 3.43643E-03 0.6997 0 1
7131 B 59.91000 276.00 100.73 1.0000 0.0000 3.62319E-03 0.7002 0 1
7132 B 59.91700 305.00 100.71 1.0000 0.0000 3.27869E-03 0.6997 0 1
7133 B 59.92400 311.00 100.69 1.0000 0.0000 3.21543E-03 0.7002 0 1
7134 B 59.93100 305.00 100.67 1.0000 0.0000 3.27869E-03 0.7002 0 1
7135 B 59.93800 301.00 100.66 1.0000 0.0000 3.32226E-03 0.6997 0 1
7136 B 59.94500 313.00 100.64 1.0000 0.0000 3.19489E-03 0.7002 0 1
7137 B 59.95200 324.00 100.62 1.0000 0.0000 3.08642E-03 0.6997 0 1
7138 B 59.95900 306.00 100.60 1.0000 0.0000 3.26797E-03 0.7002 0 1
7139 B 59.96600 314.00 100.58 1.0000 0.0000 3.18471E-03 0.7002 0 1
7140 B 59.97300 370.00 100.56 1.0000 0.0000 2.70270E-03 0.6997 0 1
7141 B 59.98000 341.00 100.55 1.0000 0.0000 2.93255E-03 0.7002 0 1
7142 B 59.98700 340.00 100.53 1.0000 0.0000 2.94118E-03 0.6997 0 1
7143 B 59.99400 320.00 100.51 1.0000 0.0000 3.12500E-03 0.7002 0 1
7144 B 60.00100 331.00 100.49 1.0000 0.0000 3.02115E-03 0.7002 0 1
7145 B 60.00800 319.00 100.47 1.0000 0.0000 3.13480E-03 0.6997 0 1
7146 B 60.01500 362.00 100.46 1.0000 0.0000 2.76243E-03 0.7002 0 1
7147 B 60.02200 363.00 100.44 1.0000 0.0000 2.75482E-03 0.6997 0 1
7148 B 60.02900 369.00 100.42 1.0000 0.0000 2.71003E-03 0.7002 0 1
7149 B 60.03600 356.00 100.40 1.0000 0.0000 2.80899E-03 0.7002 0 1
7150 B 60.04300 377.00 100.38 1.0000 0.0000 2.65252E-03 0.6997 0 1
7151 B 60.05000 377.00 100.37 1.0000 0.0000 2.65252E-03 0.7002 0 1
7152 B 60.05700 372.00 100.35 1.0000 0.0000 2.68817E-03 0.6997 0 1
7153 B 60.06400 358.00 100.33 1.0000 0.0000 2.79330E-03 0.7002 0 1
7154 B 60.07100 371.00 100.31 1.0000 0.0000 2.69542E-03 0.7002 0 1
7155 B 60.07800 393.00 100.29 1.0000 0.0000 2.54453E-03 0.6997 0 1
7156 B 60.08500 412.00 100.28 1.0000 0.0000 2.42718E-03 0.7002 0 1
7157 B 60.09200 375.00 100.26 1.0000 0.0000 2.66667E-03 0.6997 0 1
7158 B 60.09900 353.00 100.24 1.0000 0.0000 2.83286E-03 0.7002 0 1
7159 B 60.10600 381.00 100.22 1.0000 0.0000 2.62467E-03 0.7002 0 1
7160 B 60.11300 394.00 100.20 1.0000 0.0000 2.53807E-03 0.6997 0 1
7161 B 60.12000 363.00 100.18 1.0000 0.0000 2.75482E-03 0.7002 0 1
7162 B 60.12700 427.00 100.17 1.0000 0.0000 2.34192E-03 0.6997 0 1
7163 B 60.13400 395.00 100.15 1.0000 0.0000 2.53165E-03 0.7002 0 1
7164 B 60.14100 369.00 100.13 1.0000 0.0000 2.71003E-03 0.7002 0 1
7165 B 60.14800 390.00 100.11 1.0000 0.0000 2.56410E-03 0.6997 0 1
7166 B 60.15500 397.00 100.09 1.0000 0.0000 2.51889E-03 0.7002 0 1
7167 B 60.16200 377.00 100.08 1.0000 0.0000 2.65252E-03 0.6997 0 1
7168 B 60.16900 395.00 100.06 1.0000 0.0000 2.53165E-03 0.7002 0 1
7169 B 60.17600 397.00 100.04 1.0000 0.0000 2.51889E-03 0.7002 0 1
7170 B 60.18300 390.00 100.02 1.0000 0.0000 2.56410E-03 0.6997 0 1
7171 B 60.19000 400.00 100.00 1.0000 0.0000 2.50000E-03 0.7002 0 1
7172 B 60.19700 417.00 99.987 1.0000 0.0000 2.39808E-03 0.6997 0 1
7173 B 60.20400 434.00 99.969 1.0000 0.0000 2.30415E-03 0.7002 0 1
7174 B 60.21100 371.00 99.951 1.0000 0.0000 2.69542E-03 0.7002 0 1
7175 B 60.21800 402.00 99.933 1.0000 0.0000 2.48756E-03 0.6997 0 1
7176 B 60.22500 415.00 99.915 1.0000 0.0000 2.40964E-03 0.7002 0 1
7177 B 60.23200 372.00 99.897 1.0000 0.0000 2.68817E-03 0.6997 0 1
7178 B 60.23900 409.00 99.879 1.0000 0.0000 2.44499E-03 0.7002 0 1
7179 B 60.24600 407.00 99.861 1.0000 0.0000 2.45700E-03 0.7002 0 1
7180 B 60.25300 418.00 99.843 1.0000 0.0000 2.39234E-03 0.6997 0 1
7181 B 60.26000 403.00 99.825 1.0000 0.0000 2.48139E-03 0.7002 0 1
7182 B 60.26700 411.00 99.807 1.0000 0.0000 2.43309E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 128
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7183 B 60.27400 407.00 99.789 1.0000 0.0000 2.45700E-03 0.7002 0 1
7184 B 60.28100 401.00 99.771 1.0000 0.0000 2.49377E-03 0.7002 0 1
7185 B 60.28800 413.00 99.753 1.0000 0.0000 2.42131E-03 0.6997 0 1
7186 B 60.29500 439.00 99.735 1.0000 0.0000 2.27790E-03 0.7002 0 1
7187 B 60.30200 415.00 99.717 1.0000 0.0000 2.40964E-03 0.6997 0 1
7188 B 60.30900 446.00 99.699 1.0000 0.0000 2.24215E-03 0.7002 0 1
7189 B 60.31600 416.00 99.681 1.0000 0.0000 2.40385E-03 0.7002 0 1
7190 B 60.32300 406.00 99.663 1.0000 0.0000 2.46305E-03 0.6997 0 1
7191 B 60.33000 436.00 99.645 1.0000 0.0000 2.29358E-03 0.7002 0 1
7192 B 60.33700 415.00 99.627 1.0000 0.0000 2.40964E-03 0.6997 0 1
7193 B 60.34400 385.00 99.609 1.0000 0.0000 2.59740E-03 0.7002 0 1
7194 B 60.35100 415.00 99.591 1.0000 0.0000 2.40964E-03 0.7002 0 1
7195 B 60.35800 429.00 99.573 1.0000 0.0000 2.33100E-03 0.6997 0 1
7196 B 60.36500 420.00 99.555 1.0000 0.0000 2.38095E-03 0.7002 0 1
7197 B 60.37200 405.00 99.537 1.0000 0.0000 2.46914E-03 0.6997 0 1
7198 B 60.37900 388.00 99.519 1.0000 0.0000 2.57732E-03 0.7002 0 1
7199 B 60.38600 396.00 99.501 1.0000 0.0000 2.52525E-03 0.7002 0 1
7200 B 60.39300 386.00 99.484 1.0000 0.0000 2.59067E-03 0.6997 0 1
7201 B 60.40000 360.00 99.466 1.0000 0.0000 2.77778E-03 0.7002 0 1
7202 B 60.40700 378.00 99.448 1.0000 0.0000 2.64550E-03 0.6997 0 1
7203 B 60.41400 393.00 99.430 1.0000 0.0000 2.54453E-03 0.7002 0 1
7204 B 60.42100 403.00 99.412 1.0000 0.0000 2.48139E-03 0.7002 0 1
7205 B 60.42800 432.00 99.394 1.0000 0.0000 2.31481E-03 0.6997 0 1
7206 B 60.43500 405.00 99.376 1.0000 0.0000 2.46914E-03 0.7002 0 1
7207 B 60.44200 369.00 99.358 1.0000 0.0000 2.71003E-03 0.6997 0 1
7208 B 60.44900 411.00 99.340 1.0000 0.0000 2.43309E-03 0.7002 0 1
7209 B 60.45600 393.00 99.322 1.0000 0.0000 2.54453E-03 0.7002 0 1
7210 B 60.46300 376.00 99.304 1.0000 0.0000 2.65957E-03 0.6997 0 1
7211 B 60.47000 381.00 99.287 1.0000 0.0000 2.62467E-03 0.7002 0 1
7212 B 60.47700 384.00 99.269 1.0000 0.0000 2.60417E-03 0.6997 0 1
7213 B 60.48400 379.00 99.251 1.0000 0.0000 2.63852E-03 0.7002 0 1
7214 B 60.49100 378.00 99.233 1.0000 0.0000 2.64550E-03 0.7002 0 1
7215 B 60.49800 371.00 99.215 1.0000 0.0000 2.69542E-03 0.6997 0 1
7216 B 60.50500 364.00 99.197 1.0000 0.0000 2.74725E-03 0.7002 0 1
7217 . 60.51200 357.00 99.772 1.0000 0.0000 2.80112E-03 0.6997 25 1
7218 . 60.51900 376.00 99.788 1.0000 0.0000 2.65957E-03 0.7002 25 1
7219 . 60.52600 345.00 99.807 1.0000 0.0000 2.89855E-03 0.7002 25 1
7220 . 60.53300 320.00 99.829 1.0000 0.0000 3.12500E-03 0.6997 25 1
7221 . 60.54000 347.00 99.854 1.0000 0.0000 2.88184E-03 0.7002 25 1
7222 . 60.54700 330.00 99.884 1.0000 0.0000 3.03030E-03 0.6997 25 1
7223 . 60.55400 349.00 99.919 1.0000 0.0000 2.86533E-03 0.7002 25 1
7224 . 60.56100 317.00 99.959 1.0000 0.0000 3.15457E-03 0.7002 25 1
7225 . 60.56800 348.00 100.00 1.0000 0.0000 2.87356E-03 0.6997 25 1
7226 . 60.57500 337.00 100.06 1.0000 0.0000 2.96736E-03 0.7002 25 1
7227 . 60.58200 347.00 100.12 1.0000 0.0000 2.88184E-03 0.6997 25 1
7228 . 60.58900 330.00 100.19 1.0000 0.0000 3.03030E-03 0.7002 25 1
7229 . 60.59600 304.00 100.27 1.0000 0.0000 3.28947E-03 0.7002 25 1
7230 . 60.60300 302.00 100.36 1.0000 0.0000 3.31126E-03 0.6997 25 1
7231 . 60.61000 298.00 100.47 1.0000 0.0000 3.35570E-03 0.7002 25 1
7232 . 60.61700 290.00 100.59 1.0000 0.0000 3.44828E-03 0.6997 25 1
7233 . 60.62400 267.00 100.74 1.0000 0.0000 3.74532E-03 0.7002 25 1
7234 . 60.63100 272.00 100.91 1.0000 0.0000 3.67647E-03 0.7002 25 1
7235 . 60.63800 266.00 101.11 1.0000 0.0000 3.75940E-03 0.6997 25 1
7236 . 60.64500 275.00 101.34 1.0000 0.0000 3.63636E-03 0.7002 25 1
7237 . 60.65200 258.00 101.63 1.0000 0.0000 3.87597E-03 0.6997 25 1
7238 . 60.65900 250.00 101.97 1.0000 0.0000 4.00000E-03 0.7002 25 1
7239 . 60.66600 234.00 102.41 1.0000 0.0000 4.27350E-03 0.7002 25 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 129
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7240 . 60.67300 245.00 102.99 1.0000 0.0000 4.08163E-03 0.6997 25 1
7241 . 60.68000 258.00 104.13 1.0000 0.0000 3.87597E-03 0.7002 25 2
7242 . 60.68700 259.00 105.44 1.0000 0.0000 3.86100E-03 0.6997 25 2
7243 . 60.69400 251.00 107.56 1.0000 0.0000 3.98406E-03 0.7002 25 2
7244 . 60.70100 250.00 111.07 1.0000 0.0000 4.00000E-03 0.7002 25 2
7245 . 60.70800 243.00 116.78 1.0000 0.0000 4.11523E-03 0.6997 25 2
7246 . 60.71500 216.00 125.65 1.0000 0.0000 4.62963E-03 0.7002 25 2
7247 . 60.72200 220.00 138.62 1.0000 0.0000 4.54545E-03 0.6997 25 2
7248 . 60.72900 213.00 156.19 1.0000 0.0000 4.69484E-03 0.7002 25 2
7249 . 60.73600 212.00 178.02 1.0000 0.0000 4.71698E-03 0.7002 25 2
7250 . 60.74300 219.00 202.51 1.0000 0.0000 4.56621E-03 0.6997 25 2
7251 . 60.75000 205.00 226.62 1.0000 0.0000 4.87805E-03 0.7002 25 2
7252 . 60.75700 204.00 245.87 1.0000 0.0000 4.90196E-03 0.6997 25 2
7253 .1 60.76400 201.00 255.32 1.0000 0.0000 4.97512E-03 0.7002 25 2
7254 . 60.77100 194.00 251.96 1.0000 0.0000 5.15464E-03 0.7002 25 2
7255 . 60.77800 192.00 236.94 1.0000 0.0000 5.20833E-03 0.6997 25 2
7256 . 60.78500 204.00 214.62 1.0000 0.0000 4.90196E-03 0.7002 25 2
7257 . 60.79200 192.00 189.92 1.0000 0.0000 5.20833E-03 0.6997 25 2
7258 . 60.79900 187.00 166.63 1.0000 0.0000 5.34759E-03 0.7002 25 2
7259 . 60.80600 190.00 147.00 1.0000 0.0000 5.26316E-03 0.7002 25 2
7260 . 60.81300 181.00 131.97 1.0000 0.0000 5.52486E-03 0.6997 25 2
7261 . 60.82000 168.00 121.37 1.0000 0.0000 5.95238E-03 0.7002 25 2
7262 . 60.82700 164.00 114.45 1.0000 0.0000 6.09756E-03 0.6997 25 2
7263 . 60.83400 167.00 110.23 1.0000 0.0000 5.98802E-03 0.7002 25 2
7264 . 60.84100 181.00 107.84 1.0000 0.0000 5.52486E-03 0.7002 25 2
7265 . 60.84800 157.00 106.66 1.0000 0.0000 6.36943E-03 0.6997 25 2
7266 . 60.85500 179.00 106.36 1.0000 0.0000 5.58659E-03 0.7002 25 2
7267 . 60.86200 160.00 106.87 1.0000 0.0000 6.25000E-03 0.6997 25 2
7268 . 60.86900 171.00 108.38 1.0000 0.0000 5.84795E-03 0.7002 25 2
7269 . 60.87600 154.00 111.24 1.0000 0.0000 6.49351E-03 0.7002 25 2
7270 . 60.88300 158.00 115.89 1.0000 0.0000 6.32911E-03 0.6997 25 2
7271 . 60.89000 157.00 122.75 1.0000 0.0000 6.36943E-03 0.7002 25 2
7272 . 60.89700 148.00 131.94 1.0000 0.0000 6.75676E-03 0.6997 25 2
7273 . 60.90400 163.00 143.08 1.0000 0.0000 6.13497E-03 0.7002 25 2
7274 . 60.91100 154.00 155.18 1.0000 0.0000 6.49351E-03 0.7002 25 2
7275 . 60.91800 145.00 166.47 1.0000 0.0000 6.89655E-03 0.6997 25 2
7276 .1 60.92500 133.00 174.58 1.0000 0.0000 7.51880E-03 0.7002 25 2
7277 . 60.93200 140.00 177.19 1.0000 0.0000 7.14286E-03 0.6997 25 2
7278 . 60.93900 160.00 173.39 1.0000 0.0000 6.25000E-03 0.7002 25 2
7279 . 60.94600 148.00 164.37 1.0000 0.0000 6.75676E-03 0.7002 25 2
7280 . 60.95300 124.00 152.55 1.0000 0.0000 8.06452E-03 0.6997 25 2
7281 . 60.96000 143.00 140.21 1.0000 0.0000 6.99301E-03 0.7002 25 2
7282 . 60.96700 156.00 129.00 1.0000 0.0000 6.41026E-03 0.6997 25 2
7283 . 60.97400 150.00 119.83 1.0000 0.0000 6.66667E-03 0.7002 25 2
7284 . 60.98100 145.00 112.94 1.0000 0.0000 6.89655E-03 0.7002 25 2
7285 . 60.98800 131.00 108.16 1.0000 0.0000 7.63359E-03 0.6997 25 2
7286 . 60.99500 130.00 105.04 1.0000 0.0000 7.69231E-03 0.7002 25 2
7287 . 61.00200 121.00 103.09 1.0000 0.0000 8.26446E-03 0.6997 25 2
7288 . 61.00900 115.00 101.88 1.0000 0.0000 8.69565E-03 0.7002 25 2
7289 . 61.01600 139.00 101.13 1.0000 0.0000 7.19424E-03 0.7002 25 2
7290 . 61.02300 121.00 100.04 1.0000 0.0000 8.26446E-03 0.6997 26 1
7291 . 61.03000 112.00 99.712 1.0000 0.0000 8.92857E-03 0.7002 26 1
7292 . 61.03700 115.00 99.458 1.0000 0.0000 8.69565E-03 0.6997 26 1
7293 . 61.04400 141.00 99.254 1.0000 0.0000 7.09220E-03 0.7002 26 1
7294 . 61.05100 119.00 99.082 1.0000 0.0000 8.40336E-03 0.7002 26 1
7295 . 61.05800 125.00 98.934 1.0000 0.0000 8.00000E-03 0.6997 26 1
7296 . 61.06500 124.00 98.806 1.0000 0.0000 8.06452E-03 0.7002 26 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 130
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7297 . 61.07200 104.00 98.692 1.0000 0.0000 9.61538E-03 0.6997 26 1
7298 . 61.07900 111.00 98.592 1.0000 0.0000 9.00901E-03 0.7002 26 1
7299 . 61.08600 105.00 98.501 1.0000 0.0000 9.52381E-03 0.7002 26 1
7300 . 61.09300 113.00 98.420 1.0000 0.0000 8.84956E-03 0.6997 26 1
7301 . 61.10000 115.00 98.346 1.0000 0.0000 8.69565E-03 0.7002 26 1
7302 . 61.10700 117.00 98.279 1.0000 0.0000 8.54701E-03 0.6997 26 1
7303 . 61.11400 122.00 98.216 1.0000 0.0000 8.19672E-03 0.7002 26 1
7304 . 61.12100 116.00 98.159 1.0000 0.0000 8.62069E-03 0.7002 26 1
7305 . 61.12800 102.00 98.106 1.0000 0.0000 9.80392E-03 0.6997 26 1
7306 . 61.13500 99.000 98.056 1.0000 0.0000 1.01010E-02 0.7002 26 1
7307 . 61.14200 103.00 98.009 1.0000 0.0000 9.70874E-03 0.6997 26 1
7308 . 61.14900 112.00 97.965 1.0000 0.0000 8.92857E-03 0.7002 26 1
7309 . 61.15600 110.00 97.923 1.0000 0.0000 9.09091E-03 0.7002 26 1
7310 . 61.16300 111.00 97.884 1.0000 0.0000 9.00901E-03 0.6997 26 1
7311 . 61.17000 126.00 97.846 1.0000 0.0000 7.93651E-03 0.7002 26 1
7312 . 61.17700 111.00 97.810 1.0000 0.0000 9.00901E-03 0.6997 26 1
7313 B 61.18400 92.000 97.478 1.0000 0.0000 1.08696E-02 0.7002 0 1
7314 B 61.19100 108.00 97.460 1.0000 0.0000 9.25926E-03 0.7002 0 1
7315 B 61.19800 101.00 97.442 1.0000 0.0000 9.90099E-03 0.6997 0 1
7316 B 61.20500 98.000 97.425 1.0000 0.0000 1.02041E-02 0.7002 0 1
7317 B 61.21200 103.00 97.407 1.0000 0.0000 9.70874E-03 0.6997 0 1
7318 B 61.21900 100.00 97.390 1.0000 0.0000 1.00000E-02 0.7002 0 1
7319 B 61.22600 98.000 97.372 1.0000 0.0000 1.02041E-02 0.7002 0 1
7320 B 61.23300 107.00 97.355 1.0000 0.0000 9.34579E-03 0.6997 0 1
7321 B 61.24000 107.00 97.337 1.0000 0.0000 9.34579E-03 0.7002 0 1
7322 B 61.24700 107.00 97.319 1.0000 0.0000 9.34579E-03 0.6997 0 1
7323 B 61.25400 109.00 97.302 1.0000 0.0000 9.17431E-03 0.7002 0 1
7324 B 61.26100 104.00 97.284 1.0000 0.0000 9.61538E-03 0.7002 0 1
7325 B 61.26800 94.000 97.267 1.0000 0.0000 1.06383E-02 0.6997 0 1
7326 B 61.27500 105.00 97.249 1.0000 0.0000 9.52381E-03 0.7002 0 1
7327 B 61.28200 103.00 97.232 1.0000 0.0000 9.70874E-03 0.6997 0 1
7328 B 61.28900 112.00 97.214 1.0000 0.0000 8.92857E-03 0.7002 0 1
7329 B 61.29600 78.000 97.197 1.0000 0.0000 1.28205E-02 0.7002 0 1
7330 B 61.30300 78.000 97.179 1.0000 0.0000 1.28205E-02 0.6997 0 1
7331 B 61.31000 100.00 97.162 1.0000 0.0000 1.00000E-02 0.7002 0 1
7332 B 61.31700 93.000 97.144 1.0000 0.0000 1.07527E-02 0.6997 0 1
7333 B 61.32400 92.000 97.127 1.0000 0.0000 1.08696E-02 0.7002 0 1
7334 B 61.33100 86.000 97.109 1.0000 0.0000 1.16279E-02 0.7002 0 1
7335 B 61.33800 96.000 97.092 1.0000 0.0000 1.04167E-02 0.6997 0 1
7336 B 61.34500 90.000 97.074 1.0000 0.0000 1.11111E-02 0.7002 0 1
7337 B 61.35200 80.000 97.057 1.0000 0.0000 1.25000E-02 0.6997 0 1
7338 B 61.35900 94.000 97.039 1.0000 0.0000 1.06383E-02 0.7002 0 1
7339 B 61.36600 100.00 97.022 1.0000 0.0000 1.00000E-02 0.7002 0 1
7340 B 61.37300 73.000 97.004 1.0000 0.0000 1.36986E-02 0.6997 0 1
7341 B 61.38000 86.000 96.987 1.0000 0.0000 1.16279E-02 0.7002 0 1
7342 B 61.38700 98.000 96.969 1.0000 0.0000 1.02041E-02 0.6997 0 1
7343 B 61.39400 90.000 96.952 1.0000 0.0000 1.11111E-02 0.7002 0 1
7344 B 61.40100 83.000 96.934 1.0000 0.0000 1.20482E-02 0.7002 0 1
7345 B 61.40800 83.000 96.917 1.0000 0.0000 1.20482E-02 0.6997 0 1
7346 B 61.41500 81.000 96.899 1.0000 0.0000 1.23457E-02 0.7002 0 1
7347 B 61.42200 85.000 96.882 1.0000 0.0000 1.17647E-02 0.6997 0 1
7348 B 61.42900 87.000 96.864 1.0000 0.0000 1.14943E-02 0.7002 0 1
7349 B 61.43600 89.000 96.847 1.0000 0.0000 1.12360E-02 0.7002 0 1
7350 B 61.44300 82.000 96.829 1.0000 0.0000 1.21951E-02 0.6997 0 1
7351 B 61.45000 81.000 96.812 1.0000 0.0000 1.23457E-02 0.7002 0 1
7352 B 61.45700 92.000 96.794 1.0000 0.0000 1.08696E-02 0.6997 0 1
7353 B 61.46400 100.00 96.777 1.0000 0.0000 1.00000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 131
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7354 B 61.47100 90.000 96.759 1.0000 0.0000 1.11111E-02 0.7002 0 1
7355 B 61.47800 88.000 96.742 1.0000 0.0000 1.13636E-02 0.6997 0 1
7356 B 61.48500 79.000 96.725 1.0000 0.0000 1.26582E-02 0.7002 0 1
7357 B 61.49200 90.000 96.707 1.0000 0.0000 1.11111E-02 0.6997 0 1
7358 B 61.49900 98.000 96.690 1.0000 0.0000 1.02041E-02 0.7002 0 1
7359 B 61.50600 75.000 96.672 1.0000 0.0000 1.33333E-02 0.7002 0 1
7360 B 61.51300 86.000 96.655 1.0000 0.0000 1.16279E-02 0.6997 0 1
7361 B 61.52000 80.000 96.637 1.0000 0.0000 1.25000E-02 0.7002 0 1
7362 B 61.52700 88.000 96.620 1.0000 0.0000 1.13636E-02 0.6997 0 1
7363 B 61.53400 81.000 96.602 1.0000 0.0000 1.23457E-02 0.7002 0 1
7364 B 61.54100 85.000 96.585 1.0000 0.0000 1.17647E-02 0.7002 0 1
7365 B 61.54800 73.000 96.568 1.0000 0.0000 1.36986E-02 0.6997 0 1
7366 B 61.55500 81.000 96.550 1.0000 0.0000 1.23457E-02 0.7002 0 1
7367 B 61.56200 78.000 96.533 1.0000 0.0000 1.28205E-02 0.6997 0 1
7368 B 61.56900 72.000 96.515 1.0000 0.0000 1.38889E-02 0.7002 0 1
7369 B 61.57600 79.000 96.498 1.0000 0.0000 1.26582E-02 0.7002 0 1
7370 B 61.58300 87.000 96.481 1.0000 0.0000 1.14943E-02 0.6997 0 1
7371 B 61.59000 85.000 96.463 1.0000 0.0000 1.17647E-02 0.7002 0 1
7372 B 61.59700 81.000 96.446 1.0000 0.0000 1.23457E-02 0.6997 0 1
7373 B 61.60400 84.000 96.428 1.0000 0.0000 1.19048E-02 0.7002 0 1
7374 B 61.61100 83.000 96.411 1.0000 0.0000 1.20482E-02 0.7002 0 1
7375 B 61.61800 68.000 96.394 1.0000 0.0000 1.47059E-02 0.6997 0 1
7376 B 61.62500 85.000 96.376 1.0000 0.0000 1.17647E-02 0.7002 0 1
7377 B 61.63200 82.000 96.359 1.0000 0.0000 1.21951E-02 0.6997 0 1
7378 B 61.63900 95.000 96.341 1.0000 0.0000 1.05263E-02 0.7002 0 1
7379 B 61.64600 87.000 96.324 1.0000 0.0000 1.14943E-02 0.7002 0 1
7380 B 61.65300 74.000 96.307 1.0000 0.0000 1.35135E-02 0.6997 0 1
7381 B 61.66000 78.000 96.289 1.0000 0.0000 1.28205E-02 0.7002 0 1
7382 B 61.66700 83.000 96.272 1.0000 0.0000 1.20482E-02 0.6997 0 1
7383 B 61.67400 72.000 96.255 1.0000 0.0000 1.38889E-02 0.7002 0 1
7384 B 61.68100 69.000 96.237 1.0000 0.0000 1.44928E-02 0.7002 0 1
7385 B 61.68800 83.000 96.220 1.0000 0.0000 1.20482E-02 0.6997 0 1
7386 B 61.69500 88.000 96.203 1.0000 0.0000 1.13636E-02 0.7002 0 1
7387 B 61.70200 74.000 96.185 1.0000 0.0000 1.35135E-02 0.6997 0 1
7388 B 61.70900 65.000 96.168 1.0000 0.0000 1.53846E-02 0.7002 0 1
7389 B 61.71600 78.000 96.150 1.0000 0.0000 1.28205E-02 0.7002 0 1
7390 B 61.72300 91.000 96.133 1.0000 0.0000 1.09890E-02 0.6997 0 1
7391 B 61.73000 64.000 96.116 1.0000 0.0000 1.56250E-02 0.7002 0 1
7392 B 61.73700 96.000 96.098 1.0000 0.0000 1.04167E-02 0.6997 0 1
7393 B 61.74400 77.000 96.081 1.0000 0.0000 1.29870E-02 0.7002 0 1
7394 B 61.75100 73.000 96.064 1.0000 0.0000 1.36986E-02 0.7002 0 1
7395 B 61.75800 84.000 96.046 1.0000 0.0000 1.19048E-02 0.6997 0 1
7396 . 61.76500 80.000 96.152 1.0000 0.0000 1.25000E-02 0.7002 27 1
7397 . 61.77200 76.000 96.141 1.0000 0.0000 1.31579E-02 0.6997 27 1
7398 . 61.77900 91.000 96.132 1.0000 0.0000 1.09890E-02 0.7002 27 1
7399 . 61.78600 79.000 96.123 1.0000 0.0000 1.26582E-02 0.7002 27 1
7400 . 61.79300 76.000 96.114 1.0000 0.0000 1.31579E-02 0.6997 27 1
7401 . 61.80000 78.000 96.107 1.0000 0.0000 1.28205E-02 0.7002 27 1
7402 . 61.80700 71.000 96.101 1.0000 0.0000 1.40845E-02 0.6997 27 1
7403 . 61.81400 80.000 96.095 1.0000 0.0000 1.25000E-02 0.7002 27 1
7404 . 61.82100 72.000 96.091 1.0000 0.0000 1.38889E-02 0.7002 27 1
7405 . 61.82800 86.000 96.089 1.0000 0.0000 1.16279E-02 0.6997 27 1
7406 . 61.83500 67.000 96.088 1.0000 0.0000 1.49254E-02 0.7002 27 1
7407 . 61.84200 70.000 96.089 1.0000 0.0000 1.42857E-02 0.6997 27 1
7408 . 61.84900 81.000 96.093 1.0000 0.0000 1.23457E-02 0.7002 27 1
7409 . 61.85600 81.000 96.099 1.0000 0.0000 1.23457E-02 0.7002 27 1
7410 . 61.86300 76.000 96.108 1.0000 0.0000 1.31579E-02 0.6997 27 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 132
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7411 . 61.87000 76.000 96.120 1.0000 0.0000 1.31579E-02 0.7002 27 1
7412 . 61.87700 72.000 96.137 1.0000 0.0000 1.38889E-02 0.6997 27 1
7413 . 61.88400 76.000 96.160 1.0000 0.0000 1.31579E-02 0.7002 27 1
7414 . 61.89100 76.000 96.188 1.0000 0.0000 1.31579E-02 0.7002 27 1
7415 . 61.89800 74.000 96.225 1.0000 0.0000 1.35135E-02 0.6997 27 1
7416 . 61.90500 78.000 96.272 1.0000 0.0000 1.28205E-02 0.7002 27 1
7417 . 61.91200 82.000 96.333 1.0000 0.0000 1.21951E-02 0.6997 27 1
7418 . 61.91900 81.000 96.414 1.0000 0.0000 1.23457E-02 0.7002 27 1
7419 . 61.92600 71.000 96.529 1.0000 0.0000 1.40845E-02 0.7002 27 1
7420 . 61.93300 76.000 96.763 1.0000 0.0000 1.31579E-02 0.6997 27 2
7421 . 61.94000 65.000 97.048 1.0000 0.0000 1.53846E-02 0.7002 27 2
7422 . 61.94700 72.000 97.521 1.0000 0.0000 1.38889E-02 0.6997 27 2
7423 . 61.95400 68.000 98.308 1.0000 0.0000 1.47059E-02 0.7002 27 2
7424 . 61.96100 68.000 99.582 1.0000 0.0000 1.47059E-02 0.7002 27 2
7425 . 61.96800 85.000 101.54 1.0000 0.0000 1.17647E-02 0.6997 27 2
7426 . 61.97500 80.000 104.35 1.0000 0.0000 1.25000E-02 0.7002 27 2
7427 . 61.98200 74.000 108.08 1.0000 0.0000 1.35135E-02 0.6997 27 2
7428 . 61.98900 73.000 112.61 1.0000 0.0000 1.36986E-02 0.7002 27 2
7429 . 61.99600 82.000 117.55 1.0000 0.0000 1.21951E-02 0.7002 27 2
7430 . 62.00300 70.000 122.22 1.0000 0.0000 1.42857E-02 0.6997 27 2
7431 . 62.01000 79.000 125.68 1.0000 0.0000 1.26582E-02 0.7002 27 2
7432 .1 62.01700 82.000 126.99 1.0000 0.0000 1.21951E-02 0.6997 27 2
7433 . 62.02400 92.000 125.70 1.0000 0.0000 1.08696E-02 0.7002 27 2
7434 . 62.03100 88.000 122.24 1.0000 0.0000 1.13636E-02 0.7002 27 2
7435 . 62.03800 79.000 117.57 1.0000 0.0000 1.26582E-02 0.6997 27 2
7436 . 62.04500 81.000 112.62 1.0000 0.0000 1.23457E-02 0.7002 27 2
7437 . 62.05200 77.000 108.07 1.0000 0.0000 1.29870E-02 0.6997 27 2
7438 . 62.05900 69.000 104.32 1.0000 0.0000 1.44928E-02 0.7002 27 2
7439 . 62.06600 80.000 101.50 1.0000 0.0000 1.25000E-02 0.7002 27 2
7440 . 62.07300 71.000 99.533 1.0000 0.0000 1.40845E-02 0.6997 27 2
7441 . 62.08000 80.000 98.259 1.0000 0.0000 1.25000E-02 0.7002 27 2
7442 . 62.08700 73.000 97.482 1.0000 0.0000 1.36986E-02 0.6997 27 2
7443 . 62.09400 67.000 97.036 1.0000 0.0000 1.49254E-02 0.7002 27 2
7444 . 62.10100 61.000 96.804 1.0000 0.0000 1.63934E-02 0.7002 27 2
7445 . 62.10800 72.000 96.725 1.0000 0.0000 1.38889E-02 0.6997 27 2
7446 . 62.11500 75.000 96.785 1.0000 0.0000 1.33333E-02 0.7002 27 2
7447 . 62.12200 73.000 97.016 1.0000 0.0000 1.36986E-02 0.6997 27 2
7448 . 62.12900 85.000 97.483 1.0000 0.0000 1.17647E-02 0.7002 27 2
7449 . 62.13600 75.000 98.275 1.0000 0.0000 1.33333E-02 0.7002 27 2
7450 . 62.14300 65.000 99.480 1.0000 0.0000 1.53846E-02 0.6997 27 2
7451 . 62.15000 87.000 101.15 1.0000 0.0000 1.14943E-02 0.7002 27 2
7452 . 62.15700 73.000 103.25 1.0000 0.0000 1.36986E-02 0.6997 27 2
7453 . 62.16400 74.000 105.63 1.0000 0.0000 1.35135E-02 0.7002 27 2
7454 . 62.17100 65.000 107.98 1.0000 0.0000 1.53846E-02 0.7002 27 2
7455 . 62.17800 69.000 109.88 1.0000 0.0000 1.44928E-02 0.6997 27 2
7456 .1 62.18500 66.000 110.83 1.0000 0.0000 1.51515E-02 0.7002 27 2
7457 . 62.19200 75.000 110.52 1.0000 0.0000 1.33333E-02 0.6997 27 2
7458 . 62.19900 67.000 109.03 1.0000 0.0000 1.49254E-02 0.7002 27 2
7459 . 62.20600 63.000 106.80 1.0000 0.0000 1.58730E-02 0.7002 27 2
7460 . 62.21300 67.000 104.30 1.0000 0.0000 1.49254E-02 0.6997 27 2
7461 . 62.22000 79.000 101.93 1.0000 0.0000 1.26582E-02 0.7002 27 2
7462 . 62.22700 84.000 99.916 1.0000 0.0000 1.19048E-02 0.6997 27 2
7463 . 62.23400 77.000 98.353 1.0000 0.0000 1.29870E-02 0.7002 27 2
7464 . 62.24100 78.000 97.230 1.0000 0.0000 1.28205E-02 0.7002 27 2
7465 . 62.24800 62.000 96.476 1.0000 0.0000 1.61290E-02 0.6997 27 2
7466 . 62.25500 78.000 95.991 1.0000 0.0000 1.28205E-02 0.7002 27 2
7467 . 62.26200 69.000 95.686 1.0000 0.0000 1.44928E-02 0.6997 27 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 133
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7468 . 62.26900 59.000 95.369 1.0000 0.0000 1.69492E-02 0.7002 28 1
7469 . 62.27600 67.000 95.244 1.0000 0.0000 1.49254E-02 0.7002 28 1
7470 . 62.28300 68.000 95.154 1.0000 0.0000 1.47059E-02 0.6997 28 1
7471 . 62.29000 64.000 95.083 1.0000 0.0000 1.56250E-02 0.7002 28 1
7472 . 62.29700 66.000 95.025 1.0000 0.0000 1.51515E-02 0.6997 28 1
7473 . 62.30400 75.000 94.974 1.0000 0.0000 1.33333E-02 0.7002 28 1
7474 . 62.31100 64.000 94.929 1.0000 0.0000 1.56250E-02 0.7002 28 1
7475 . 62.31800 61.000 94.888 1.0000 0.0000 1.63934E-02 0.6997 28 1
7476 . 62.32500 64.000 94.850 1.0000 0.0000 1.56250E-02 0.7002 28 1
7477 . 62.33200 68.000 94.815 1.0000 0.0000 1.47059E-02 0.6997 28 1
7478 . 62.33900 82.000 94.783 1.0000 0.0000 1.21951E-02 0.7002 28 1
7479 . 62.34600 81.000 94.752 1.0000 0.0000 1.23457E-02 0.7002 28 1
7480 . 62.35300 71.000 94.723 1.0000 0.0000 1.40845E-02 0.6997 28 1
7481 . 62.36000 69.000 94.695 1.0000 0.0000 1.44928E-02 0.7002 28 1
7482 . 62.36700 75.000 94.669 1.0000 0.0000 1.33333E-02 0.6997 28 1
7483 . 62.37400 72.000 94.643 1.0000 0.0000 1.38889E-02 0.7002 28 1
7484 . 62.38100 71.000 94.619 1.0000 0.0000 1.40845E-02 0.7002 28 1
7485 . 62.38800 78.000 94.595 1.0000 0.0000 1.28205E-02 0.6997 28 1
7486 . 62.39500 73.000 94.572 1.0000 0.0000 1.36986E-02 0.7002 28 1
7487 . 62.40200 76.000 94.549 1.0000 0.0000 1.31579E-02 0.6997 28 1
7488 . 62.40900 80.000 94.527 1.0000 0.0000 1.25000E-02 0.7002 28 1
7489 . 62.41600 79.000 94.505 1.0000 0.0000 1.26582E-02 0.7002 28 1
7490 . 62.42300 68.000 94.484 1.0000 0.0000 1.47059E-02 0.6997 28 1
7491 . 62.43000 66.000 94.463 1.0000 0.0000 1.51515E-02 0.7002 28 1
7492 . 62.43700 67.000 94.442 1.0000 0.0000 1.49254E-02 0.6997 28 1
7493 B 62.44400 77.000 94.363 1.0000 0.0000 1.29870E-02 0.7002 0 1
7494 B 62.45100 69.000 94.346 1.0000 0.0000 1.44928E-02 0.7002 0 1
7495 B 62.45800 73.000 94.329 1.0000 0.0000 1.36986E-02 0.6997 0 1
7496 B 62.46500 73.000 94.312 1.0000 0.0000 1.36986E-02 0.7002 0 1
7497 B 62.47200 79.000 94.295 1.0000 0.0000 1.26582E-02 0.6997 0 1
7498 B 62.47900 78.000 94.278 1.0000 0.0000 1.28205E-02 0.7002 0 1
7499 B 62.48600 55.000 94.261 1.0000 0.0000 1.81818E-02 0.7002 0 1
7500 B 62.49300 64.000 94.244 1.0000 0.0000 1.56250E-02 0.6997 0 1
7501 B 62.50000 66.000 94.227 1.0000 0.0000 1.51515E-02 0.7002 0 1
7502 B 62.50700 70.000 94.210 1.0000 0.0000 1.42857E-02 0.6997 0 1
7503 B 62.51400 77.000 94.193 1.0000 0.0000 1.29870E-02 0.7002 0 1
7504 B 62.52100 77.000 94.176 1.0000 0.0000 1.29870E-02 0.7002 0 1
7505 B 62.52800 68.000 94.159 1.0000 0.0000 1.47059E-02 0.6997 0 1
7506 B 62.53500 66.000 94.142 1.0000 0.0000 1.51515E-02 0.7002 0 1
7507 B 62.54200 77.000 94.125 1.0000 0.0000 1.29870E-02 0.6997 0 1
7508 B 62.54900 79.000 94.108 1.0000 0.0000 1.26582E-02 0.7002 0 1
7509 B 62.55600 78.000 94.091 1.0000 0.0000 1.28205E-02 0.7002 0 1
7510 B 62.56300 89.000 94.074 1.0000 0.0000 1.12360E-02 0.6997 0 1
7511 B 62.57000 83.000 94.057 1.0000 0.0000 1.20482E-02 0.7002 0 1
7512 B 62.57700 69.000 94.040 1.0000 0.0000 1.44928E-02 0.6997 0 1
7513 B 62.58400 71.000 94.023 1.0000 0.0000 1.40845E-02 0.7002 0 1
7514 B 62.59100 60.000 94.006 1.0000 0.0000 1.66667E-02 0.7002 0 1
7515 B 62.59800 63.000 93.989 1.0000 0.0000 1.58730E-02 0.6997 0 1
7516 B 62.60500 73.000 93.972 1.0000 0.0000 1.36986E-02 0.7002 0 1
7517 B 62.61200 67.000 93.956 1.0000 0.0000 1.49254E-02 0.6997 0 1
7518 B 62.61900 72.000 93.939 1.0000 0.0000 1.38889E-02 0.7002 0 1
7519 B 62.62600 75.000 93.922 1.0000 0.0000 1.33333E-02 0.7002 0 1
7520 B 62.63300 72.000 93.905 1.0000 0.0000 1.38889E-02 0.6997 0 1
7521 B 62.64000 66.000 93.888 1.0000 0.0000 1.51515E-02 0.7002 0 1
7522 B 62.64700 70.000 93.871 1.0000 0.0000 1.42857E-02 0.6997 0 1
7523 B 62.65400 70.000 93.854 1.0000 0.0000 1.42857E-02 0.7002 0 1
7524 B 62.66100 67.000 93.837 1.0000 0.0000 1.49254E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 134
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7525 B 62.66800 73.000 93.820 1.0000 0.0000 1.36986E-02 0.6997 0 1
7526 B 62.67500 68.000 93.803 1.0000 0.0000 1.47059E-02 0.7002 0 1
7527 B 62.68200 73.000 93.786 1.0000 0.0000 1.36986E-02 0.6997 0 1
7528 B 62.68900 70.000 93.769 1.0000 0.0000 1.42857E-02 0.7002 0 1
7529 B 62.69600 61.000 93.752 1.0000 0.0000 1.63934E-02 0.7002 0 1
7530 B 62.70300 68.000 93.735 1.0000 0.0000 1.47059E-02 0.6997 0 1
7531 B 62.71000 71.000 93.719 1.0000 0.0000 1.40845E-02 0.7002 0 1
7532 B 62.71700 68.000 93.702 1.0000 0.0000 1.47059E-02 0.6997 0 1
7533 B 62.72400 65.000 93.685 1.0000 0.0000 1.53846E-02 0.7002 0 1
7534 B 62.73100 70.000 93.668 1.0000 0.0000 1.42857E-02 0.7002 0 1
7535 B 62.73800 81.000 93.651 1.0000 0.0000 1.23457E-02 0.6997 0 1
7536 B 62.74500 72.000 93.634 1.0000 0.0000 1.38889E-02 0.7002 0 1
7537 B 62.75200 72.000 93.617 1.0000 0.0000 1.38889E-02 0.6997 0 1
7538 B 62.75900 72.000 93.600 1.0000 0.0000 1.38889E-02 0.7002 0 1
7539 B 62.76600 73.000 93.583 1.0000 0.0000 1.36986E-02 0.7002 0 1
7540 B 62.77300 74.000 93.566 1.0000 0.0000 1.35135E-02 0.6997 0 1
7541 B 62.78000 67.000 93.550 1.0000 0.0000 1.49254E-02 0.7002 0 1
7542 B 62.78700 70.000 93.533 1.0000 0.0000 1.42857E-02 0.6997 0 1
7543 B 62.79400 60.000 93.516 1.0000 0.0000 1.66667E-02 0.7002 0 1
7544 B 62.80100 69.000 93.499 1.0000 0.0000 1.44928E-02 0.7002 0 1
7545 B 62.80800 59.000 93.482 1.0000 0.0000 1.69492E-02 0.6997 0 1
7546 B 62.81500 67.000 93.465 1.0000 0.0000 1.49254E-02 0.7002 0 1
7547 B 62.82200 72.000 93.448 1.0000 0.0000 1.38889E-02 0.6997 0 1
7548 B 62.82900 69.000 93.432 1.0000 0.0000 1.44928E-02 0.7002 0 1
7549 B 62.83600 71.000 93.415 1.0000 0.0000 1.40845E-02 0.7002 0 1
7550 B 62.84300 65.000 93.398 1.0000 0.0000 1.53846E-02 0.6997 0 1
7551 B 62.85000 59.000 93.381 1.0000 0.0000 1.69492E-02 0.7002 0 1
7552 B 62.85700 68.000 93.364 1.0000 0.0000 1.47059E-02 0.6997 0 1
7553 B 62.86400 66.000 93.347 1.0000 0.0000 1.51515E-02 0.7002 0 1
7554 B 62.87100 72.000 93.330 1.0000 0.0000 1.38889E-02 0.7002 0 1
7555 B 62.87800 80.000 93.314 1.0000 0.0000 1.25000E-02 0.6997 0 1
7556 B 62.88500 63.000 93.297 1.0000 0.0000 1.58730E-02 0.7002 0 1
7557 B 62.89200 64.000 93.280 1.0000 0.0000 1.56250E-02 0.6997 0 1
7558 B 62.89900 71.000 93.263 1.0000 0.0000 1.40845E-02 0.7002 0 1
7559 B 62.90600 80.000 93.246 1.0000 0.0000 1.25000E-02 0.7002 0 1
7560 B 62.91300 62.000 93.229 1.0000 0.0000 1.61290E-02 0.6997 0 1
7561 B 62.92000 61.000 93.213 1.0000 0.0000 1.63934E-02 0.7002 0 1
7562 B 62.92700 70.000 93.196 1.0000 0.0000 1.42857E-02 0.6997 0 1
7563 B 62.93400 74.000 93.179 1.0000 0.0000 1.35135E-02 0.7002 0 1
7564 B 62.94100 75.000 93.162 1.0000 0.0000 1.33333E-02 0.7002 0 1
7565 B 62.94800 65.000 93.145 1.0000 0.0000 1.53846E-02 0.6997 0 1
7566 B 62.95500 60.000 93.129 1.0000 0.0000 1.66667E-02 0.7002 0 1
7567 B 62.96200 67.000 93.112 1.0000 0.0000 1.49254E-02 0.6997 0 1
7568 B 62.96900 63.000 93.095 1.0000 0.0000 1.58730E-02 0.7002 0 1
7569 B 62.97600 68.000 93.078 1.0000 0.0000 1.47059E-02 0.7002 0 1
7570 B 62.98300 58.000 93.061 1.0000 0.0000 1.72414E-02 0.6997 0 1
7571 B 62.99000 73.000 93.045 1.0000 0.0000 1.36986E-02 0.7002 0 1
7572 B 62.99700 70.000 93.028 1.0000 0.0000 1.42857E-02 0.6997 0 1
7573 B 63.00400 58.000 93.011 1.0000 0.0000 1.72414E-02 0.7002 0 1
7574 B 63.01100 63.000 92.994 1.0000 0.0000 1.58730E-02 0.7002 0 1
7575 B 63.01800 64.000 92.978 1.0000 0.0000 1.56250E-02 0.6997 0 1
7576 B 63.02500 70.000 92.961 1.0000 0.0000 1.42857E-02 0.7002 0 1
7577 B 63.03200 51.000 92.944 1.0000 0.0000 1.96078E-02 0.6997 0 1
7578 B 63.03900 55.000 92.927 1.0000 0.0000 1.81818E-02 0.7002 0 1
7579 B 63.04600 72.000 92.910 1.0000 0.0000 1.38889E-02 0.7002 0 1
7580 B 63.05300 63.000 92.894 1.0000 0.0000 1.58730E-02 0.6997 0 1
7581 B 63.06000 72.000 92.877 1.0000 0.0000 1.38889E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 135
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7582 B 63.06700 65.000 92.860 1.0000 0.0000 1.53846E-02 0.6997 0 1
7583 B 63.07400 69.000 92.843 1.0000 0.0000 1.44928E-02 0.7002 0 1
7584 B 63.08100 77.000 92.827 1.0000 0.0000 1.29870E-02 0.7002 0 1
7585 B 63.08800 60.000 92.810 1.0000 0.0000 1.66667E-02 0.6997 0 1
7586 B 63.09500 67.000 92.793 1.0000 0.0000 1.49254E-02 0.7002 0 1
7587 B 63.10200 74.000 92.776 1.0000 0.0000 1.35135E-02 0.6997 0 1
7588 B 63.10900 69.000 92.760 1.0000 0.0000 1.44928E-02 0.7002 0 1
7589 B 63.11600 62.000 92.743 1.0000 0.0000 1.61290E-02 0.7002 0 1
7590 B 63.12300 69.000 92.726 1.0000 0.0000 1.44928E-02 0.6997 0 1
7591 B 63.13000 60.000 92.710 1.0000 0.0000 1.66667E-02 0.7002 0 1
7592 B 63.13700 73.000 92.693 1.0000 0.0000 1.36986E-02 0.6997 0 1
7593 B 63.14400 72.000 92.676 1.0000 0.0000 1.38889E-02 0.7002 0 1
7594 B 63.15100 66.000 92.659 1.0000 0.0000 1.51515E-02 0.7002 0 1
7595 B 63.15800 70.000 92.643 1.0000 0.0000 1.42857E-02 0.6997 0 1
7596 B 63.16500 74.000 92.626 1.0000 0.0000 1.35135E-02 0.7002 0 1
7597 B 63.17200 66.000 92.609 1.0000 0.0000 1.51515E-02 0.6997 0 1
7598 B 63.17900 59.000 92.593 1.0000 0.0000 1.69492E-02 0.7002 0 1
7599 B 63.18600 58.000 92.576 1.0000 0.0000 1.72414E-02 0.7002 0 1
7600 B 63.19300 67.000 92.559 1.0000 0.0000 1.49254E-02 0.6997 0 1
7601 B 63.20000 65.000 92.542 1.0000 0.0000 1.53846E-02 0.7002 0 1
7602 B 63.20700 45.000 92.526 1.0000 0.0000 2.22222E-02 0.6997 0 1
7603 B 63.21400 62.000 92.509 1.0000 0.0000 1.61290E-02 0.7002 0 1
7604 B 63.22100 63.000 92.492 1.0000 0.0000 1.58730E-02 0.7002 0 1
7605 B 63.22800 76.000 92.476 1.0000 0.0000 1.31579E-02 0.6997 0 1
7606 B 63.23500 65.000 92.459 1.0000 0.0000 1.53846E-02 0.7002 0 1
7607 B 63.24200 63.000 92.442 1.0000 0.0000 1.58730E-02 0.6997 0 1
7608 B 63.24900 59.000 92.426 1.0000 0.0000 1.69492E-02 0.7002 0 1
7609 B 63.25600 71.000 92.409 1.0000 0.0000 1.40845E-02 0.7002 0 1
7610 B 63.26300 64.000 92.392 1.0000 0.0000 1.56250E-02 0.6997 0 1
7611 B 63.27000 63.000 92.376 1.0000 0.0000 1.58730E-02 0.7002 0 1
7612 B 63.27700 54.000 92.359 1.0000 0.0000 1.85185E-02 0.6997 0 1
7613 B 63.28400 54.000 92.342 1.0000 0.0000 1.85185E-02 0.7002 0 1
7614 B 63.29100 65.000 92.326 1.0000 0.0000 1.53846E-02 0.7002 0 1
7615 B 63.29800 60.000 92.309 1.0000 0.0000 1.66667E-02 0.6997 0 1
7616 B 63.30500 54.000 92.292 1.0000 0.0000 1.85185E-02 0.7002 0 1
7617 B 63.31200 58.000 92.276 1.0000 0.0000 1.72414E-02 0.6997 0 1
7618 B 63.31900 72.000 92.259 1.0000 0.0000 1.38889E-02 0.7002 0 1
7619 B 63.32600 56.000 92.243 1.0000 0.0000 1.78571E-02 0.7002 0 1
7620 B 63.33300 64.000 92.226 1.0000 0.0000 1.56250E-02 0.6997 0 1
7621 B 63.34000 68.000 92.209 1.0000 0.0000 1.47059E-02 0.7002 0 1
7622 B 63.34700 80.000 92.193 1.0000 0.0000 1.25000E-02 0.6997 0 1
7623 B 63.35400 66.000 92.176 1.0000 0.0000 1.51515E-02 0.7002 0 1
7624 B 63.36100 63.000 92.159 1.0000 0.0000 1.58730E-02 0.7002 0 1
7625 B 63.36800 67.000 92.143 1.0000 0.0000 1.49254E-02 0.6997 0 1
7626 B 63.37500 71.000 92.126 1.0000 0.0000 1.40845E-02 0.7002 0 1
7627 B 63.38200 70.000 92.110 1.0000 0.0000 1.42857E-02 0.6997 0 1
7628 B 63.38900 68.000 92.093 1.0000 0.0000 1.47059E-02 0.7002 0 1
7629 B 63.39600 66.000 92.076 1.0000 0.0000 1.51515E-02 0.7002 0 1
7630 B 63.40300 68.000 92.060 1.0000 0.0000 1.47059E-02 0.6997 0 1
7631 B 63.41000 77.000 92.043 1.0000 0.0000 1.29870E-02 0.7002 0 1
7632 B 63.41700 54.000 92.026 1.0000 0.0000 1.85185E-02 0.6997 0 1
7633 B 63.42400 49.000 92.010 1.0000 0.0000 2.04082E-02 0.7002 0 1
7634 B 63.43100 75.000 91.993 1.0000 0.0000 1.33333E-02 0.7002 0 1
7635 B 63.43800 63.000 91.977 1.0000 0.0000 1.58730E-02 0.6997 0 1
7636 B 63.44500 58.000 91.960 1.0000 0.0000 1.72414E-02 0.7002 0 1
7637 B 63.45200 69.000 91.944 1.0000 0.0000 1.44928E-02 0.6997 0 1
7638 B 63.45900 53.000 91.927 1.0000 0.0000 1.88679E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 136
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7639 B 63.46600 73.000 91.910 1.0000 0.0000 1.36986E-02 0.7002 0 1
7640 B 63.47300 76.000 91.894 1.0000 0.0000 1.31579E-02 0.6997 0 1
7641 B 63.48000 70.000 91.877 1.0000 0.0000 1.42857E-02 0.7002 0 1
7642 B 63.48700 59.000 91.861 1.0000 0.0000 1.69492E-02 0.6997 0 1
7643 B 63.49400 55.000 91.844 1.0000 0.0000 1.81818E-02 0.7002 0 1
7644 B 63.50100 57.000 91.828 1.0000 0.0000 1.75439E-02 0.7002 0 1
7645 B 63.50800 60.000 91.811 1.0000 0.0000 1.66667E-02 0.6997 0 1
7646 B 63.51500 60.000 91.794 1.0000 0.0000 1.66667E-02 0.7002 0 1
7647 B 63.52200 58.000 91.778 1.0000 0.0000 1.72414E-02 0.6997 0 1
7648 B 63.52900 68.000 91.761 1.0000 0.0000 1.47059E-02 0.7002 0 1
7649 B 63.53600 62.000 91.745 1.0000 0.0000 1.61290E-02 0.7002 0 1
7650 B 63.54300 60.000 91.728 1.0000 0.0000 1.66667E-02 0.6997 0 1
7651 B 63.55000 64.000 91.712 1.0000 0.0000 1.56250E-02 0.7002 0 1
7652 B 63.55700 63.000 91.695 1.0000 0.0000 1.58730E-02 0.6997 0 1
7653 B 63.56400 77.000 91.679 1.0000 0.0000 1.29870E-02 0.7002 0 1
7654 B 63.57100 69.000 91.662 1.0000 0.0000 1.44928E-02 0.7002 0 1
7655 B 63.57800 70.000 91.646 1.0000 0.0000 1.42857E-02 0.6997 0 1
7656 B 63.58500 67.000 91.629 1.0000 0.0000 1.49254E-02 0.7002 0 1
7657 B 63.59200 57.000 91.613 1.0000 0.0000 1.75439E-02 0.6997 0 1
7658 B 63.59900 50.000 91.596 1.0000 0.0000 2.00000E-02 0.7002 0 1
7659 B 63.60600 56.000 91.579 1.0000 0.0000 1.78571E-02 0.7002 0 1
7660 B 63.61300 61.000 91.563 1.0000 0.0000 1.63934E-02 0.6997 0 1
7661 B 63.62000 67.000 91.546 1.0000 0.0000 1.49254E-02 0.7002 0 1
7662 B 63.62700 65.000 91.530 1.0000 0.0000 1.53846E-02 0.6997 0 1
7663 B 63.63400 63.000 91.513 1.0000 0.0000 1.58730E-02 0.7002 0 1
7664 B 63.64100 57.000 91.497 1.0000 0.0000 1.75439E-02 0.7002 0 1
7665 B 63.64800 71.000 91.480 1.0000 0.0000 1.40845E-02 0.6997 0 1
7666 B 63.65500 53.000 91.464 1.0000 0.0000 1.88679E-02 0.7002 0 1
7667 B 63.66200 65.000 91.447 1.0000 0.0000 1.53846E-02 0.6997 0 1
7668 B 63.66900 69.000 91.431 1.0000 0.0000 1.44928E-02 0.7002 0 1
7669 B 63.67600 58.000 91.415 1.0000 0.0000 1.72414E-02 0.7002 0 1
7670 B 63.68300 58.000 91.398 1.0000 0.0000 1.72414E-02 0.6997 0 1
7671 B 63.69000 60.000 91.382 1.0000 0.0000 1.66667E-02 0.7002 0 1
7672 B 63.69700 64.000 91.365 1.0000 0.0000 1.56250E-02 0.6997 0 1
7673 B 63.70400 62.000 91.349 1.0000 0.0000 1.61290E-02 0.7002 0 1
7674 B 63.71100 57.000 91.332 1.0000 0.0000 1.75439E-02 0.7002 0 1
7675 B 63.71800 70.000 91.316 1.0000 0.0000 1.42857E-02 0.6997 0 1
7676 B 63.72500 71.000 91.299 1.0000 0.0000 1.40845E-02 0.7002 0 1
7677 B 63.73200 62.000 91.283 1.0000 0.0000 1.61290E-02 0.6997 0 1
7678 B 63.73900 57.000 91.266 1.0000 0.0000 1.75439E-02 0.7002 0 1
7679 B 63.74600 67.000 91.250 1.0000 0.0000 1.49254E-02 0.7002 0 1
7680 B 63.75300 72.000 91.233 1.0000 0.0000 1.38889E-02 0.6997 0 1
7681 B 63.76000 61.000 91.217 1.0000 0.0000 1.63934E-02 0.7002 0 1
7682 B 63.76700 55.000 91.200 1.0000 0.0000 1.81818E-02 0.6997 0 1
7683 B 63.77400 59.000 91.184 1.0000 0.0000 1.69492E-02 0.7002 0 1
7684 B 63.78100 54.000 91.168 1.0000 0.0000 1.85185E-02 0.7002 0 1
7685 B 63.78800 62.000 91.151 1.0000 0.0000 1.61290E-02 0.6997 0 1
7686 B 63.79500 65.000 91.135 1.0000 0.0000 1.53846E-02 0.7002 0 1
7687 B 63.80200 61.000 91.118 1.0000 0.0000 1.63934E-02 0.6997 0 1
7688 B 63.80900 60.000 91.102 1.0000 0.0000 1.66667E-02 0.7002 0 1
7689 B 63.81600 63.000 91.085 1.0000 0.0000 1.58730E-02 0.7002 0 1
7690 B 63.82300 61.000 91.069 1.0000 0.0000 1.63934E-02 0.6997 0 1
7691 B 63.83000 61.000 91.053 1.0000 0.0000 1.63934E-02 0.7002 0 1
7692 B 63.83700 59.000 91.036 1.0000 0.0000 1.69492E-02 0.6997 0 1
7693 B 63.84400 57.000 91.020 1.0000 0.0000 1.75439E-02 0.7002 0 1
7694 B 63.85100 61.000 91.003 1.0000 0.0000 1.63934E-02 0.7002 0 1
7695 B 63.85800 61.000 90.987 1.0000 0.0000 1.63934E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 137
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7696 B 63.86500 59.000 90.971 1.0000 0.0000 1.69492E-02 0.7002 0 1
7697 B 63.87200 54.000 90.954 1.0000 0.0000 1.85185E-02 0.6997 0 1
7698 B 63.87900 56.000 90.938 1.0000 0.0000 1.78571E-02 0.7002 0 1
7699 B 63.88600 57.000 90.921 1.0000 0.0000 1.75439E-02 0.7002 0 1
7700 B 63.89300 64.000 90.905 1.0000 0.0000 1.56250E-02 0.6997 0 1
7701 B 63.90000 60.000 90.889 1.0000 0.0000 1.66667E-02 0.7002 0 1
7702 B 63.90700 66.000 90.872 1.0000 0.0000 1.51515E-02 0.6997 0 1
7703 B 63.91400 61.000 90.856 1.0000 0.0000 1.63934E-02 0.7002 0 1
7704 B 63.92100 61.000 90.839 1.0000 0.0000 1.63934E-02 0.7002 0 1
7705 B 63.92800 56.000 90.823 1.0000 0.0000 1.78571E-02 0.6997 0 1
7706 B 63.93500 56.000 90.807 1.0000 0.0000 1.78571E-02 0.7002 0 1
7707 B 63.94200 57.000 90.790 1.0000 0.0000 1.75439E-02 0.6997 0 1
7708 B 63.94900 74.000 90.774 1.0000 0.0000 1.35135E-02 0.7002 0 1
7709 B 63.95600 61.000 90.758 1.0000 0.0000 1.63934E-02 0.7002 0 1
7710 B 63.96300 54.000 90.741 1.0000 0.0000 1.85185E-02 0.6997 0 1
7711 B 63.97000 63.000 90.725 1.0000 0.0000 1.58730E-02 0.7002 0 1
7712 B 63.97700 65.000 90.709 1.0000 0.0000 1.53846E-02 0.6997 0 1
7713 B 63.98400 51.000 90.692 1.0000 0.0000 1.96078E-02 0.7002 0 1
7714 B 63.99100 54.000 90.676 1.0000 0.0000 1.85185E-02 0.7002 0 1
7715 B 63.99800 52.000 90.660 1.0000 0.0000 1.92308E-02 0.6997 0 1
7716 B 64.00500 62.000 90.643 1.0000 0.0000 1.61290E-02 0.7002 0 1
7717 B 64.01200 59.000 90.627 1.0000 0.0000 1.69492E-02 0.6997 0 1
7718 B 64.01900 58.000 90.611 1.0000 0.0000 1.72414E-02 0.7002 0 1
7719 B 64.02600 51.000 90.594 1.0000 0.0000 1.96078E-02 0.7002 0 1
7720 B 64.03300 48.000 90.578 1.0000 0.0000 2.08333E-02 0.6997 0 1
7721 B 64.04000 52.000 90.562 1.0000 0.0000 1.92308E-02 0.7002 0 1
7722 B 64.04700 47.000 90.545 1.0000 0.0000 2.12766E-02 0.6997 0 1
7723 B 64.05400 51.000 90.529 1.0000 0.0000 1.96078E-02 0.7002 0 1
7724 B 64.06100 60.000 90.513 1.0000 0.0000 1.66667E-02 0.7002 0 1
7725 B 64.06800 51.000 90.496 1.0000 0.0000 1.96078E-02 0.6997 0 1
7726 B 64.07500 65.000 90.480 1.0000 0.0000 1.53846E-02 0.7002 0 1
7727 B 64.08200 74.000 90.464 1.0000 0.0000 1.35135E-02 0.6997 0 1
7728 B 64.08900 51.000 90.447 1.0000 0.0000 1.96078E-02 0.7002 0 1
7729 B 64.09600 64.000 90.431 1.0000 0.0000 1.56250E-02 0.7002 0 1
7730 B 64.10300 57.000 90.415 1.0000 0.0000 1.75439E-02 0.6997 0 1
7731 B 64.11000 58.000 90.398 1.0000 0.0000 1.72414E-02 0.7002 0 1
7732 B 64.11700 59.000 90.382 1.0000 0.0000 1.69492E-02 0.6997 0 1
7733 B 64.12400 52.000 90.366 1.0000 0.0000 1.92308E-02 0.7002 0 1
7734 B 64.13100 56.000 90.350 1.0000 0.0000 1.78571E-02 0.7002 0 1
7735 B 64.13800 61.000 90.333 1.0000 0.0000 1.63934E-02 0.6997 0 1
7736 B 64.14500 63.000 90.317 1.0000 0.0000 1.58730E-02 0.7002 0 1
7737 B 64.15200 61.000 90.301 1.0000 0.0000 1.63934E-02 0.6997 0 1
7738 B 64.15900 46.000 90.284 1.0000 0.0000 2.17391E-02 0.7002 0 1
7739 B 64.16600 57.000 90.268 1.0000 0.0000 1.75439E-02 0.7002 0 1
7740 B 64.17300 58.000 90.252 1.0000 0.0000 1.72414E-02 0.6997 0 1
7741 B 64.18000 67.000 90.236 1.0000 0.0000 1.49254E-02 0.7002 0 1
7742 B 64.18700 70.000 90.219 1.0000 0.0000 1.42857E-02 0.6997 0 1
7743 B 64.19400 70.000 90.203 1.0000 0.0000 1.42857E-02 0.7002 0 1
7744 B 64.20100 54.000 90.187 1.0000 0.0000 1.85185E-02 0.7002 0 1
7745 B 64.20800 61.000 90.171 1.0000 0.0000 1.63934E-02 0.6997 0 1
7746 B 64.21500 60.000 90.154 1.0000 0.0000 1.66667E-02 0.7002 0 1
7747 B 64.22200 61.000 90.138 1.0000 0.0000 1.63934E-02 0.6997 0 1
7748 B 64.22900 59.000 90.122 1.0000 0.0000 1.69492E-02 0.7002 0 1
7749 B 64.23600 59.000 90.106 1.0000 0.0000 1.69492E-02 0.7002 0 1
7750 B 64.24300 65.000 90.089 1.0000 0.0000 1.53846E-02 0.6997 0 1
7751 B 64.25000 62.000 90.073 1.0000 0.0000 1.61290E-02 0.7002 0 1
7752 B 64.25700 53.000 90.057 1.0000 0.0000 1.88679E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 138
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7753 B 64.26400 54.000 90.041 1.0000 0.0000 1.85185E-02 0.7002 0 1
7754 B 64.27100 65.000 90.025 1.0000 0.0000 1.53846E-02 0.7002 0 1
7755 B 64.27800 53.000 90.008 1.0000 0.0000 1.88679E-02 0.6997 0 1
7756 B 64.28500 64.000 89.992 1.0000 0.0000 1.56250E-02 0.7002 0 1
7757 B 64.29200 63.000 89.976 1.0000 0.0000 1.58730E-02 0.6997 0 1
7758 B 64.29900 58.000 89.960 1.0000 0.0000 1.72414E-02 0.7002 0 1
7759 B 64.30600 57.000 89.943 1.0000 0.0000 1.75439E-02 0.7002 0 1
7760 B 64.31300 57.000 89.927 1.0000 0.0000 1.75439E-02 0.6997 0 1
7761 B 64.32000 46.000 89.911 1.0000 0.0000 2.17391E-02 0.7002 0 1
7762 B 64.32700 59.000 89.895 1.0000 0.0000 1.69492E-02 0.6997 0 1
7763 B 64.33400 53.000 89.879 1.0000 0.0000 1.88679E-02 0.7002 0 1
7764 B 64.34100 56.000 89.862 1.0000 0.0000 1.78571E-02 0.7002 0 1
7765 B 64.34800 57.000 89.846 1.0000 0.0000 1.75439E-02 0.6997 0 1
7766 B 64.35500 60.000 89.830 1.0000 0.0000 1.66667E-02 0.7002 0 1
7767 B 64.36200 55.000 89.814 1.0000 0.0000 1.81818E-02 0.6997 0 1
7768 B 64.36900 48.000 89.798 1.0000 0.0000 2.08333E-02 0.7002 0 1
7769 B 64.37600 47.000 89.782 1.0000 0.0000 2.12766E-02 0.7002 0 1
7770 B 64.38300 62.000 89.765 1.0000 0.0000 1.61290E-02 0.6997 0 1
7771 B 64.39000 60.000 89.749 1.0000 0.0000 1.66667E-02 0.7002 0 1
7772 B 64.39700 60.000 89.733 1.0000 0.0000 1.66667E-02 0.6997 0 1
7773 B 64.40400 49.000 89.717 1.0000 0.0000 2.04082E-02 0.7002 0 1
7774 B 64.41100 53.000 89.701 1.0000 0.0000 1.88679E-02 0.7002 0 1
7775 B 64.41800 63.000 89.685 1.0000 0.0000 1.58730E-02 0.6997 0 1
7776 B 64.42500 68.000 89.668 1.0000 0.0000 1.47059E-02 0.7002 0 1
7777 B 64.43200 58.000 89.652 1.0000 0.0000 1.72414E-02 0.6997 0 1
7778 B 64.43900 66.000 89.636 1.0000 0.0000 1.51515E-02 0.7002 0 1
7779 B 64.44600 59.000 89.620 1.0000 0.0000 1.69492E-02 0.7002 0 1
7780 B 64.45300 60.000 89.604 1.0000 0.0000 1.66667E-02 0.6997 0 1
7781 B 64.46000 61.000 89.588 1.0000 0.0000 1.63934E-02 0.7002 0 1
7782 B 64.46700 54.000 89.572 1.0000 0.0000 1.85185E-02 0.6997 0 1
7783 B 64.47400 68.000 89.555 1.0000 0.0000 1.47059E-02 0.7002 0 1
7784 B 64.48100 62.000 89.539 1.0000 0.0000 1.61290E-02 0.7002 0 1
7785 B 64.48800 64.000 89.523 1.0000 0.0000 1.56250E-02 0.6997 0 1
7786 B 64.49500 62.000 89.507 1.0000 0.0000 1.61290E-02 0.7002 0 1
7787 B 64.50200 48.000 89.491 1.0000 0.0000 2.08333E-02 0.6997 0 1
7788 B 64.50900 52.000 89.475 1.0000 0.0000 1.92308E-02 0.7002 0 1
7789 B 64.51600 48.000 89.459 1.0000 0.0000 2.08333E-02 0.7002 0 1
7790 B 64.52299 55.000 89.443 1.0000 0.0000 1.81818E-02 0.6997 0 1
7791 B 64.53000 51.000 89.426 1.0000 0.0000 1.96078E-02 0.7002 0 1
7792 B 64.53700 62.000 89.410 1.0000 0.0000 1.61290E-02 0.6997 0 1
7793 B 64.54400 55.000 89.394 1.0000 0.0000 1.81818E-02 0.7002 0 1
7794 B 64.55100 55.000 89.378 1.0000 0.0000 1.81818E-02 0.7002 0 1
7795 B 64.55800 62.000 89.362 1.0000 0.0000 1.61290E-02 0.6997 0 1
7796 B 64.56500 60.000 89.346 1.0000 0.0000 1.66667E-02 0.7002 0 1
7797 B 64.57200 63.000 89.330 1.0000 0.0000 1.58730E-02 0.6997 0 1
7798 B 64.57900 57.000 89.314 1.0000 0.0000 1.75439E-02 0.7002 0 1
7799 B 64.58600 60.000 89.298 1.0000 0.0000 1.66667E-02 0.7002 0 1
7800 B 64.59299 59.000 89.282 1.0000 0.0000 1.69492E-02 0.6997 0 1
7801 B 64.60000 64.000 89.265 1.0000 0.0000 1.56250E-02 0.7002 0 1
7802 B 64.60700 64.000 89.249 1.0000 0.0000 1.56250E-02 0.6997 0 1
7803 B 64.61400 65.000 89.233 1.0000 0.0000 1.53846E-02 0.7002 0 1
7804 B 64.62100 52.000 89.217 1.0000 0.0000 1.92308E-02 0.7002 0 1
7805 B 64.62800 66.000 89.201 1.0000 0.0000 1.51515E-02 0.6997 0 1
7806 B 64.63500 52.000 89.185 1.0000 0.0000 1.92308E-02 0.7002 0 1
7807 B 64.64200 60.000 89.169 1.0000 0.0000 1.66667E-02 0.6997 0 1
7808 B 64.64900 53.000 89.153 1.0000 0.0000 1.88679E-02 0.7002 0 1
7809 B 64.65600 52.000 89.137 1.0000 0.0000 1.92308E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 139
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7810 B 64.66299 53.000 89.121 1.0000 0.0000 1.88679E-02 0.6997 0 1
7811 B 64.67000 48.000 89.105 1.0000 0.0000 2.08333E-02 0.7002 0 1
7812 B 64.67700 55.000 89.089 1.0000 0.0000 1.81818E-02 0.6997 0 1
7813 B 64.68400 64.000 89.073 1.0000 0.0000 1.56250E-02 0.7002 0 1
7814 B 64.69100 59.000 89.057 1.0000 0.0000 1.69492E-02 0.7002 0 1
7815 B 64.69800 53.000 89.041 1.0000 0.0000 1.88679E-02 0.6997 0 1
7816 B 64.70500 50.000 89.025 1.0000 0.0000 2.00000E-02 0.7002 0 1
7817 B 64.71201 63.000 89.009 1.0000 0.0000 1.58730E-02 0.6997 0 1
7818 B 64.71900 62.000 88.993 1.0000 0.0000 1.61290E-02 0.7002 0 1
7819 B 64.72600 65.000 88.977 1.0000 0.0000 1.53846E-02 0.7002 0 1
7820 B 64.73300 57.000 88.961 1.0000 0.0000 1.75439E-02 0.6997 0 1
7821 B 64.74000 63.000 88.945 1.0000 0.0000 1.58730E-02 0.7002 0 1
7822 B 64.74700 55.000 88.929 1.0000 0.0000 1.81818E-02 0.6997 0 1
7823 B 64.75400 69.000 88.913 1.0000 0.0000 1.44928E-02 0.7002 0 1
7824 B 64.76100 63.000 88.896 1.0000 0.0000 1.58730E-02 0.7002 0 1
7825 B 64.76800 51.000 88.881 1.0000 0.0000 1.96078E-02 0.6997 0 1
7826 B 64.77500 51.000 88.864 1.0000 0.0000 1.96078E-02 0.7002 0 1
7827 B 64.78201 53.000 88.848 1.0000 0.0000 1.88679E-02 0.6997 0 1
7828 B 64.78900 49.000 88.832 1.0000 0.0000 2.04082E-02 0.7002 0 1
7829 B 64.79600 52.000 88.817 1.0000 0.0000 1.92308E-02 0.7002 0 1
7830 B 64.80300 49.000 88.801 1.0000 0.0000 2.04082E-02 0.6997 0 1
7831 B 64.81000 43.000 88.785 1.0000 0.0000 2.32558E-02 0.7002 0 1
7832 B 64.81700 57.000 88.769 1.0000 0.0000 1.75439E-02 0.6997 0 1
7833 B 64.82400 55.000 88.753 1.0000 0.0000 1.81818E-02 0.7002 0 1
7834 B 64.83100 66.000 88.737 1.0000 0.0000 1.51515E-02 0.7002 0 1
7835 B 64.83800 61.000 88.721 1.0000 0.0000 1.63934E-02 0.6997 0 1
7836 B 64.84500 63.000 88.705 1.0000 0.0000 1.58730E-02 0.7002 0 1
7837 B 64.85201 62.000 88.689 1.0000 0.0000 1.61290E-02 0.6997 0 1
7838 B 64.85900 60.000 88.673 1.0000 0.0000 1.66667E-02 0.7002 0 1
7839 B 64.86600 49.000 88.657 1.0000 0.0000 2.04082E-02 0.7002 0 1
7840 B 64.87300 53.000 88.641 1.0000 0.0000 1.88679E-02 0.6997 0 1
7841 B 64.88000 53.000 88.625 1.0000 0.0000 1.88679E-02 0.7002 0 1
7842 B 64.88700 55.000 88.609 1.0000 0.0000 1.81818E-02 0.6997 0 1
7843 B 64.89400 58.000 88.593 1.0000 0.0000 1.72414E-02 0.7002 0 1
7844 B 64.90100 50.000 88.577 1.0000 0.0000 2.00000E-02 0.7002 0 1
7845 B 64.90800 50.000 88.561 1.0000 0.0000 2.00000E-02 0.6997 0 1
7846 B 64.91500 53.000 88.545 1.0000 0.0000 1.88679E-02 0.7002 0 1
7847 B 64.92200 56.000 88.529 1.0000 0.0000 1.78571E-02 0.6997 0 1
7848 B 64.92900 58.000 88.513 1.0000 0.0000 1.72414E-02 0.7002 0 1
7849 B 64.93600 51.000 88.497 1.0000 0.0000 1.96078E-02 0.7002 0 1
7850 B 64.94300 54.000 88.481 1.0000 0.0000 1.85185E-02 0.6997 0 1
7851 B 64.95000 57.000 88.465 1.0000 0.0000 1.75439E-02 0.7002 0 1
7852 B 64.95700 67.000 88.450 1.0000 0.0000 1.49254E-02 0.6997 0 1
7853 B 64.96400 55.000 88.434 1.0000 0.0000 1.81818E-02 0.7002 0 1
7854 B 64.97100 51.000 88.418 1.0000 0.0000 1.96078E-02 0.7002 0 1
7855 B 64.97800 53.000 88.402 1.0000 0.0000 1.88679E-02 0.6997 0 1
7856 B 64.98500 49.000 88.386 1.0000 0.0000 2.04082E-02 0.7002 0 1
7857 B 64.99200 50.000 88.370 1.0000 0.0000 2.00000E-02 0.6997 0 1
7858 B 64.99900 63.000 88.354 1.0000 0.0000 1.58730E-02 0.7002 0 1
7859 B 65.00600 63.000 88.338 1.0000 0.0000 1.58730E-02 0.7002 0 1
7860 B 65.01300 48.000 88.322 1.0000 0.0000 2.08333E-02 0.6997 0 1
7861 B 65.02000 53.000 88.306 1.0000 0.0000 1.88679E-02 0.7002 0 1
7862 B 65.02700 58.000 88.290 1.0000 0.0000 1.72414E-02 0.6997 0 1
7863 B 65.03400 64.000 88.275 1.0000 0.0000 1.56250E-02 0.7002 0 1
7864 B 65.04100 62.000 88.259 1.0000 0.0000 1.61290E-02 0.7002 0 1
7865 B 65.04800 50.000 88.243 1.0000 0.0000 2.00000E-02 0.6997 0 1
7866 B 65.05500 60.000 88.227 1.0000 0.0000 1.66667E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 140
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7867 B 65.06200 48.000 88.211 1.0000 0.0000 2.08333E-02 0.6997 0 1
7868 B 65.06900 61.000 88.195 1.0000 0.0000 1.63934E-02 0.7002 0 1
7869 B 65.07600 63.000 88.179 1.0000 0.0000 1.58730E-02 0.7002 0 1
7870 B 65.08300 47.000 88.163 1.0000 0.0000 2.12766E-02 0.6997 0 1
7871 B 65.09000 50.000 88.148 1.0000 0.0000 2.00000E-02 0.7002 0 1
7872 B 65.09700 60.000 88.132 1.0000 0.0000 1.66667E-02 0.6997 0 1
7873 B 65.10400 59.000 88.116 1.0000 0.0000 1.69492E-02 0.7002 0 1
7874 B 65.11100 55.000 88.100 1.0000 0.0000 1.81818E-02 0.7002 0 1
7875 B 65.11800 54.000 88.084 1.0000 0.0000 1.85185E-02 0.6997 0 1
7876 B 65.12500 48.000 88.068 1.0000 0.0000 2.08333E-02 0.7002 0 1
7877 B 65.13200 56.000 88.052 1.0000 0.0000 1.78571E-02 0.6997 0 1
7878 B 65.13900 45.000 88.037 1.0000 0.0000 2.22222E-02 0.7002 0 1
7879 B 65.14600 56.000 88.021 1.0000 0.0000 1.78571E-02 0.7002 0 1
7880 B 65.15300 56.000 88.005 1.0000 0.0000 1.78571E-02 0.6997 0 1
7881 B 65.16000 44.000 87.989 1.0000 0.0000 2.27273E-02 0.7002 0 1
7882 B 65.16700 54.000 87.973 1.0000 0.0000 1.85185E-02 0.6997 0 1
7883 B 65.17400 49.000 87.957 1.0000 0.0000 2.04082E-02 0.7002 0 1
7884 B 65.18100 55.000 87.942 1.0000 0.0000 1.81818E-02 0.7002 0 1
7885 B 65.18800 61.000 87.926 1.0000 0.0000 1.63934E-02 0.6997 0 1
7886 B 65.19500 55.000 87.910 1.0000 0.0000 1.81818E-02 0.7002 0 1
7887 B 65.20200 52.000 87.894 1.0000 0.0000 1.92308E-02 0.6997 0 1
7888 B 65.20900 41.000 87.878 1.0000 0.0000 2.43902E-02 0.7002 0 1
7889 B 65.21600 40.000 87.863 1.0000 0.0000 2.50000E-02 0.7002 0 1
7890 B 65.22300 60.000 87.847 1.0000 0.0000 1.66667E-02 0.6997 0 1
7891 B 65.23000 52.000 87.831 1.0000 0.0000 1.92308E-02 0.7002 0 1
7892 B 65.23700 49.000 87.815 1.0000 0.0000 2.04082E-02 0.6997 0 1
7893 B 65.24400 49.000 87.799 1.0000 0.0000 2.04082E-02 0.7002 0 1
7894 B 65.25100 48.000 87.784 1.0000 0.0000 2.08333E-02 0.7002 0 1
7895 B 65.25800 49.000 87.768 1.0000 0.0000 2.04082E-02 0.6997 0 1
7896 B 65.26500 46.000 87.752 1.0000 0.0000 2.17391E-02 0.7002 0 1
7897 B 65.27200 50.000 87.736 1.0000 0.0000 2.00000E-02 0.6997 0 1
7898 B 65.27900 58.000 87.720 1.0000 0.0000 1.72414E-02 0.7002 0 1
7899 B 65.28600 50.000 87.705 1.0000 0.0000 2.00000E-02 0.7002 0 1
7900 B 65.29300 51.000 87.689 1.0000 0.0000 1.96078E-02 0.6997 0 1
7901 B 65.30000 57.000 87.673 1.0000 0.0000 1.75439E-02 0.7002 0 1
7902 B 65.30700 56.000 87.657 1.0000 0.0000 1.78571E-02 0.6997 0 1
7903 B 65.31400 62.000 87.642 1.0000 0.0000 1.61290E-02 0.7002 0 1
7904 B 65.32100 57.000 87.626 1.0000 0.0000 1.75439E-02 0.7002 0 1
7905 B 65.32800 54.000 87.610 1.0000 0.0000 1.85185E-02 0.6997 0 1
7906 B 65.33500 54.000 87.594 1.0000 0.0000 1.85185E-02 0.7002 0 1
7907 B 65.34200 55.000 87.579 1.0000 0.0000 1.81818E-02 0.6997 0 1
7908 B 65.34900 59.000 87.563 1.0000 0.0000 1.69492E-02 0.7002 0 1
7909 B 65.35600 48.000 87.547 1.0000 0.0000 2.08333E-02 0.7002 0 1
7910 B 65.36300 45.000 87.531 1.0000 0.0000 2.22222E-02 0.6997 0 1
7911 B 65.37000 61.000 87.516 1.0000 0.0000 1.63934E-02 0.7002 0 1
7912 B 65.37700 62.000 87.500 1.0000 0.0000 1.61290E-02 0.6997 0 1
7913 B 65.38400 56.000 87.484 1.0000 0.0000 1.78571E-02 0.7002 0 1
7914 B 65.39100 61.000 87.468 1.0000 0.0000 1.63934E-02 0.7002 0 1
7915 B 65.39799 52.000 87.453 1.0000 0.0000 1.92308E-02 0.6997 0 1
7916 B 65.40500 55.000 87.437 1.0000 0.0000 1.81818E-02 0.7002 0 1
7917 B 65.41200 64.000 87.421 1.0000 0.0000 1.56250E-02 0.6997 0 1
7918 B 65.41900 64.000 87.405 1.0000 0.0000 1.56250E-02 0.7002 0 1
7919 B 65.42600 50.000 87.390 1.0000 0.0000 2.00000E-02 0.7002 0 1
7920 B 65.43300 48.000 87.374 1.0000 0.0000 2.08333E-02 0.6997 0 1
7921 B 65.44000 54.000 87.358 1.0000 0.0000 1.85185E-02 0.7002 0 1
7922 B 65.44700 62.000 87.343 1.0000 0.0000 1.61290E-02 0.6997 0 1
7923 B 65.45400 54.000 87.327 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 141
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7924 B 65.46100 59.000 87.311 1.0000 0.0000 1.69492E-02 0.7002 0 1
7925 B 65.46799 51.000 87.296 1.0000 0.0000 1.96078E-02 0.6997 0 1
7926 B 65.47500 54.000 87.280 1.0000 0.0000 1.85185E-02 0.7002 0 1
7927 B 65.48200 47.000 87.264 1.0000 0.0000 2.12766E-02 0.6997 0 1
7928 B 65.48900 60.000 87.248 1.0000 0.0000 1.66667E-02 0.7002 0 1
7929 B 65.49600 57.000 87.233 1.0000 0.0000 1.75439E-02 0.7002 0 1
7930 B 65.50300 59.000 87.217 1.0000 0.0000 1.69492E-02 0.6997 0 1
7931 B 65.51000 67.000 87.201 1.0000 0.0000 1.49254E-02 0.7002 0 1
7932 B 65.51700 57.000 87.186 1.0000 0.0000 1.75439E-02 0.6997 0 1
7933 B 65.52400 43.000 87.170 1.0000 0.0000 2.32558E-02 0.7002 0 1
7934 B 65.53100 40.000 87.154 1.0000 0.0000 2.50000E-02 0.7002 0 1
7935 B 65.53799 47.000 87.139 1.0000 0.0000 2.12766E-02 0.6997 0 1
7936 B 65.54500 52.000 87.123 1.0000 0.0000 1.92308E-02 0.7002 0 1
7937 B 65.55200 58.000 87.107 1.0000 0.0000 1.72414E-02 0.6997 0 1
7938 B 65.55900 63.000 87.092 1.0000 0.0000 1.58730E-02 0.7002 0 1
7939 B 65.56600 43.000 87.076 1.0000 0.0000 2.32558E-02 0.7002 0 1
7940 B 65.57300 52.000 87.060 1.0000 0.0000 1.92308E-02 0.6997 0 1
7941 B 65.58000 50.000 87.045 1.0000 0.0000 2.00000E-02 0.7002 0 1
7942 B 65.58701 54.000 87.029 1.0000 0.0000 1.85185E-02 0.6997 0 1
7943 B 65.59400 40.000 87.013 1.0000 0.0000 2.50000E-02 0.7002 0 1
7944 B 65.60100 44.000 86.998 1.0000 0.0000 2.27273E-02 0.7002 0 1
7945 B 65.60800 51.000 86.982 1.0000 0.0000 1.96078E-02 0.6997 0 1
7946 B 65.61500 53.000 86.967 1.0000 0.0000 1.88679E-02 0.7002 0 1
7947 B 65.62200 52.000 86.951 1.0000 0.0000 1.92308E-02 0.6997 0 1
7948 B 65.62900 54.000 86.935 1.0000 0.0000 1.85185E-02 0.7002 0 1
7949 B 65.63600 47.000 86.920 1.0000 0.0000 2.12766E-02 0.7002 0 1
7950 B 65.64300 46.000 86.904 1.0000 0.0000 2.17391E-02 0.6997 0 1
7951 B 65.65000 57.000 86.888 1.0000 0.0000 1.75439E-02 0.7002 0 1
7952 B 65.65701 52.000 86.873 1.0000 0.0000 1.92308E-02 0.6997 0 1
7953 B 65.66400 43.000 86.857 1.0000 0.0000 2.32558E-02 0.7002 0 1
7954 B 65.67100 44.000 86.842 1.0000 0.0000 2.27273E-02 0.7002 0 1
7955 B 65.67800 45.000 86.826 1.0000 0.0000 2.22222E-02 0.6997 0 1
7956 B 65.68500 49.000 86.810 1.0000 0.0000 2.04082E-02 0.7002 0 1
7957 B 65.69200 64.000 86.795 1.0000 0.0000 1.56250E-02 0.6997 0 1
7958 B 65.69900 53.000 86.779 1.0000 0.0000 1.88679E-02 0.7002 0 1
7959 B 65.70600 57.000 86.764 1.0000 0.0000 1.75439E-02 0.7002 0 1
7960 B 65.71300 49.000 86.748 1.0000 0.0000 2.04082E-02 0.6997 0 1
7961 B 65.72000 57.000 86.732 1.0000 0.0000 1.75439E-02 0.7002 0 1
7962 B 65.72701 54.000 86.717 1.0000 0.0000 1.85185E-02 0.6997 0 1
7963 B 65.73400 56.000 86.701 1.0000 0.0000 1.78571E-02 0.7002 0 1
7964 B 65.74100 57.000 86.686 1.0000 0.0000 1.75439E-02 0.7002 0 1
7965 B 65.74800 55.000 86.670 1.0000 0.0000 1.81818E-02 0.6997 0 1
7966 B 65.75500 59.000 86.655 1.0000 0.0000 1.69492E-02 0.7002 0 1
7967 B 65.76200 58.000 86.639 1.0000 0.0000 1.72414E-02 0.6997 0 1
7968 B 65.76900 59.000 86.623 1.0000 0.0000 1.69492E-02 0.7002 0 1
7969 B 65.77600 60.000 86.608 1.0000 0.0000 1.66667E-02 0.7002 0 1
7970 B 65.78300 59.000 86.592 1.0000 0.0000 1.69492E-02 0.6997 0 1
7971 B 65.79000 63.000 86.577 1.0000 0.0000 1.58730E-02 0.7002 0 1
7972 B 65.79700 53.000 86.561 1.0000 0.0000 1.88679E-02 0.6997 0 1
7973 B 65.80400 58.000 86.546 1.0000 0.0000 1.72414E-02 0.7002 0 1
7974 B 65.81100 63.000 86.530 1.0000 0.0000 1.58730E-02 0.7002 0 1
7975 B 65.81800 59.000 86.515 1.0000 0.0000 1.69492E-02 0.6997 0 1
7976 B 65.82500 60.000 86.499 1.0000 0.0000 1.66667E-02 0.7002 0 1
7977 B 65.83200 63.000 86.483 1.0000 0.0000 1.58730E-02 0.6997 0 1
7978 B 65.83900 63.000 86.468 1.0000 0.0000 1.58730E-02 0.7002 0 1
7979 B 65.84600 54.000 86.452 1.0000 0.0000 1.85185E-02 0.7002 0 1
7980 B 65.85300 58.000 86.437 1.0000 0.0000 1.72414E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 142
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
7981 B 65.86000 57.000 86.421 1.0000 0.0000 1.75439E-02 0.7002 0 1
7982 B 65.86700 51.000 86.406 1.0000 0.0000 1.96078E-02 0.6997 0 1
7983 B 65.87400 59.000 86.390 1.0000 0.0000 1.69492E-02 0.7002 0 1
7984 B 65.88100 61.000 86.375 1.0000 0.0000 1.63934E-02 0.7002 0 1
7985 B 65.88800 61.000 86.359 1.0000 0.0000 1.63934E-02 0.6997 0 1
7986 B 65.89500 52.000 86.344 1.0000 0.0000 1.92308E-02 0.7002 0 1
7987 B 65.90200 63.000 86.328 1.0000 0.0000 1.58730E-02 0.6997 0 1
7988 B 65.90900 61.000 86.313 1.0000 0.0000 1.63934E-02 0.7002 0 1
7989 B 65.91600 55.000 86.297 1.0000 0.0000 1.81818E-02 0.7002 0 1
7990 B 65.92300 51.000 86.282 1.0000 0.0000 1.96078E-02 0.6997 0 1
7991 B 65.93000 48.000 86.266 1.0000 0.0000 2.08333E-02 0.7002 0 1
7992 B 65.93700 49.000 86.251 1.0000 0.0000 2.04082E-02 0.6997 0 1
7993 B 65.94400 56.000 86.235 1.0000 0.0000 1.78571E-02 0.7002 0 1
7994 B 65.95100 58.000 86.220 1.0000 0.0000 1.72414E-02 0.7002 0 1
7995 B 65.95800 59.000 86.204 1.0000 0.0000 1.69492E-02 0.6997 0 1
7996 B 65.96500 58.000 86.189 1.0000 0.0000 1.72414E-02 0.7002 0 1
7997 B 65.97200 59.000 86.173 1.0000 0.0000 1.69492E-02 0.6997 0 1
7998 B 65.97900 53.000 86.158 1.0000 0.0000 1.88679E-02 0.7002 0 1
7999 B 65.98600 60.000 86.142 1.0000 0.0000 1.66667E-02 0.7002 0 1
8000 B 65.99300 59.000 86.127 1.0000 0.0000 1.69492E-02 0.6997 0 1
8001 B 66.00000 76.000 86.111 1.0000 0.0000 1.31579E-02 0.7002 0 1
8002 B 66.00700 47.000 86.096 1.0000 0.0000 2.12766E-02 0.6997 0 1
8003 B 66.01400 57.000 86.081 1.0000 0.0000 1.75439E-02 0.7002 0 1
8004 B 66.02100 57.000 86.065 1.0000 0.0000 1.75439E-02 0.7002 0 1
8005 B 66.02800 54.000 86.050 1.0000 0.0000 1.85185E-02 0.6997 0 1
8006 B 66.03500 49.000 86.034 1.0000 0.0000 2.04082E-02 0.7002 0 1
8007 B 66.04200 63.000 86.019 1.0000 0.0000 1.58730E-02 0.6997 0 1
8008 B 66.04900 60.000 86.003 1.0000 0.0000 1.66667E-02 0.7002 0 1
8009 B 66.05600 57.000 85.988 1.0000 0.0000 1.75439E-02 0.7002 0 1
8010 B 66.06300 62.000 85.972 1.0000 0.0000 1.61290E-02 0.6997 0 1
8011 B 66.07000 68.000 85.957 1.0000 0.0000 1.47059E-02 0.7002 0 1
8012 B 66.07700 61.000 85.942 1.0000 0.0000 1.63934E-02 0.6997 0 1
8013 B 66.08400 57.000 85.926 1.0000 0.0000 1.75439E-02 0.7002 0 1
8014 B 66.09100 50.000 85.911 1.0000 0.0000 2.00000E-02 0.7002 0 1
8015 B 66.09800 50.000 85.895 1.0000 0.0000 2.00000E-02 0.6997 0 1
8016 B 66.10500 70.000 85.880 1.0000 0.0000 1.42857E-02 0.7002 0 1
8017 B 66.11200 68.000 85.864 1.0000 0.0000 1.47059E-02 0.6997 0 1
8018 B 66.11900 44.000 85.849 1.0000 0.0000 2.27273E-02 0.7002 0 1
8019 B 66.12600 55.000 85.834 1.0000 0.0000 1.81818E-02 0.7002 0 1
8020 B 66.13300 61.000 85.818 1.0000 0.0000 1.63934E-02 0.6997 0 1
8021 B 66.14000 58.000 85.803 1.0000 0.0000 1.72414E-02 0.7002 0 1
8022 B 66.14700 59.000 85.787 1.0000 0.0000 1.69492E-02 0.6997 0 1
8023 B 66.15400 65.000 85.772 1.0000 0.0000 1.53846E-02 0.7002 0 1
8024 B 66.16100 58.000 85.757 1.0000 0.0000 1.72414E-02 0.7002 0 1
8025 B 66.16800 51.000 85.741 1.0000 0.0000 1.96078E-02 0.6997 0 1
8026 B 66.17500 58.000 85.726 1.0000 0.0000 1.72414E-02 0.7002 0 1
8027 B 66.18200 60.000 85.710 1.0000 0.0000 1.66667E-02 0.6997 0 1
8028 B 66.18900 53.000 85.695 1.0000 0.0000 1.88679E-02 0.7002 0 1
8029 B 66.19600 55.000 85.680 1.0000 0.0000 1.81818E-02 0.7002 0 1
8030 B 66.20300 61.000 85.664 1.0000 0.0000 1.63934E-02 0.6997 0 1
8031 B 66.21000 56.000 85.649 1.0000 0.0000 1.78571E-02 0.7002 0 1
8032 B 66.21700 63.000 85.634 1.0000 0.0000 1.58730E-02 0.6997 0 1
8033 B 66.22400 57.000 85.618 1.0000 0.0000 1.75439E-02 0.7002 0 1
8034 B 66.23100 51.000 85.603 1.0000 0.0000 1.96078E-02 0.7002 0 1
8035 B 66.23800 52.000 85.588 1.0000 0.0000 1.92308E-02 0.6997 0 1
8036 B 66.24500 54.000 85.572 1.0000 0.0000 1.85185E-02 0.7002 0 1
8037 B 66.25200 56.000 85.557 1.0000 0.0000 1.78571E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 143
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8038 B 66.25900 62.000 85.541 1.0000 0.0000 1.61290E-02 0.7002 0 1
8039 B 66.26600 54.000 85.526 1.0000 0.0000 1.85185E-02 0.7002 0 1
8040 B 66.27299 62.000 85.511 1.0000 0.0000 1.61290E-02 0.6997 0 1
8041 B 66.28000 63.000 85.495 1.0000 0.0000 1.58730E-02 0.7002 0 1
8042 B 66.28700 66.000 85.480 1.0000 0.0000 1.51515E-02 0.6997 0 1
8043 B 66.29400 67.000 85.465 1.0000 0.0000 1.49254E-02 0.7002 0 1
8044 B 66.30100 59.000 85.449 1.0000 0.0000 1.69492E-02 0.7002 0 1
8045 B 66.30800 60.000 85.434 1.0000 0.0000 1.66667E-02 0.6997 0 1
8046 . 66.31500 76.000 85.475 1.0000 0.0000 1.31579E-02 0.7002 29 1
8047 . 66.32200 65.000 85.463 1.0000 0.0000 1.53846E-02 0.6997 29 1
8048 . 66.32900 71.000 85.451 1.0000 0.0000 1.40845E-02 0.7002 29 1
8049 . 66.33600 72.000 85.440 1.0000 0.0000 1.38889E-02 0.7002 29 1
8050 . 66.34299 71.000 85.429 1.0000 0.0000 1.40845E-02 0.6997 29 1
8051 . 66.35000 78.000 85.418 1.0000 0.0000 1.28205E-02 0.7002 29 1
8052 . 66.35700 82.000 85.408 1.0000 0.0000 1.21951E-02 0.6997 29 1
8053 . 66.36400 70.000 85.398 1.0000 0.0000 1.42857E-02 0.7002 29 1
8054 . 66.37100 60.000 85.389 1.0000 0.0000 1.66667E-02 0.7002 29 1
8055 . 66.37800 68.000 85.380 1.0000 0.0000 1.47059E-02 0.6997 29 1
8056 . 66.38500 70.000 85.373 1.0000 0.0000 1.42857E-02 0.7002 29 1
8057 . 66.39200 64.000 85.366 1.0000 0.0000 1.56250E-02 0.6997 29 1
8058 . 66.39900 60.000 85.360 1.0000 0.0000 1.66667E-02 0.7002 29 1
8059 . 66.40600 64.000 85.356 1.0000 0.0000 1.56250E-02 0.7002 29 1
8060 . 66.41299 55.000 85.353 1.0000 0.0000 1.81818E-02 0.6997 29 1
8061 . 66.42000 56.000 85.351 1.0000 0.0000 1.78571E-02 0.7002 29 1
8062 . 66.42700 61.000 85.352 1.0000 0.0000 1.63934E-02 0.6997 29 1
8063 . 66.43400 50.000 85.355 1.0000 0.0000 2.00000E-02 0.7002 29 1
8064 . 66.44100 57.000 85.361 1.0000 0.0000 1.75439E-02 0.7002 29 1
8065 . 66.44800 61.000 85.371 1.0000 0.0000 1.63934E-02 0.6997 29 1
8066 . 66.45500 69.000 85.386 1.0000 0.0000 1.44928E-02 0.7002 29 1
8067 . 66.46201 66.000 85.407 1.0000 0.0000 1.51515E-02 0.6997 29 1
8068 . 66.46900 67.000 85.439 1.0000 0.0000 1.49254E-02 0.7002 29 1
8069 . 66.47600 70.000 85.487 1.0000 0.0000 1.42857E-02 0.7002 29 1
8070 . 66.48300 63.000 85.565 1.0000 0.0000 1.58730E-02 0.6997 29 1
8071 . 66.49000 63.000 85.695 1.0000 0.0000 1.58730E-02 0.7002 29 1
8072 . 66.49700 70.000 85.942 1.0000 0.0000 1.42857E-02 0.6997 29 2
8073 . 66.50400 67.000 86.311 1.0000 0.0000 1.49254E-02 0.7002 29 2
8074 . 66.51100 68.000 86.901 1.0000 0.0000 1.47059E-02 0.7002 29 2
8075 . 66.51800 67.000 87.794 1.0000 0.0000 1.49254E-02 0.6997 29 2
8076 . 66.52500 67.000 89.056 1.0000 0.0000 1.49254E-02 0.7002 29 2
8077 . 66.53201 69.000 90.703 1.0000 0.0000 1.44928E-02 0.6997 29 2
8078 . 66.53900 74.000 92.667 1.0000 0.0000 1.35135E-02 0.7002 29 2
8079 . 66.54600 56.000 94.769 1.0000 0.0000 1.78571E-02 0.7002 29 2
8080 . 66.55300 61.000 96.705 1.0000 0.0000 1.63934E-02 0.6997 29 2
8081 .1 66.56000 63.000 98.073 1.0000 0.0000 1.58730E-02 0.7002 29 2
8082 . 66.56700 66.000 98.484 1.0000 0.0000 1.51515E-02 0.6997 29 2
8083 . 66.57400 57.000 97.800 1.0000 0.0000 1.75439E-02 0.7002 29 2
8084 . 66.58100 54.000 96.237 1.0000 0.0000 1.85185E-02 0.7002 29 2
8085 . 66.58800 54.000 94.206 1.0000 0.0000 1.85185E-02 0.6997 29 2
8086 . 66.59500 58.000 92.091 1.0000 0.0000 1.72414E-02 0.7002 29 2
8087 . 66.60201 62.000 90.167 1.0000 0.0000 1.61290E-02 0.6997 29 2
8088 . 66.60900 57.000 88.588 1.0000 0.0000 1.75439E-02 0.7002 29 2
8089 . 66.61600 67.000 87.397 1.0000 0.0000 1.49254E-02 0.7002 29 2
8090 . 66.62300 68.000 86.563 1.0000 0.0000 1.47059E-02 0.6997 29 2
8091 . 66.63000 70.000 86.015 1.0000 0.0000 1.42857E-02 0.7002 29 2
8092 . 66.63700 68.000 85.672 1.0000 0.0000 1.47059E-02 0.6997 29 2
8093 . 66.64400 55.000 85.464 1.0000 0.0000 1.81818E-02 0.7002 29 2
8094 . 66.65100 50.000 85.339 1.0000 0.0000 2.00000E-02 0.7002 29 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 144
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8095 . 66.65800 56.000 85.266 1.0000 0.0000 1.78571E-02 0.6997 29 2
8096 . 66.66500 70.000 85.230 1.0000 0.0000 1.42857E-02 0.7002 29 2
8097 . 66.67200 60.000 85.227 1.0000 0.0000 1.66667E-02 0.6997 29 2
8098 . 66.67900 65.000 85.268 1.0000 0.0000 1.53846E-02 0.7002 29 2
8099 . 66.68600 67.000 85.372 1.0000 0.0000 1.49254E-02 0.7002 29 2
8100 . 66.69300 62.000 85.570 1.0000 0.0000 1.61290E-02 0.6997 29 2
8101 . 66.70000 61.000 85.902 1.0000 0.0000 1.63934E-02 0.7002 29 2
8102 . 66.70700 54.000 86.404 1.0000 0.0000 1.85185E-02 0.6997 29 2
8103 . 66.71400 62.000 87.098 1.0000 0.0000 1.61290E-02 0.7002 29 2
8104 . 66.72100 54.000 87.977 1.0000 0.0000 1.85185E-02 0.7002 29 2
8105 . 66.72800 51.000 88.978 1.0000 0.0000 1.96078E-02 0.6997 29 2
8106 . 66.73500 54.000 89.986 1.0000 0.0000 1.85185E-02 0.7002 29 2
8107 . 66.74200 64.000 90.821 1.0000 0.0000 1.56250E-02 0.6997 29 2
8108 .1 66.74900 67.000 91.275 1.0000 0.0000 1.49254E-02 0.7002 29 2
8109 . 66.75600 69.000 91.201 1.0000 0.0000 1.44928E-02 0.7002 29 2
8110 . 66.76300 61.000 90.615 1.0000 0.0000 1.63934E-02 0.6997 29 2
8111 . 66.77000 52.000 89.685 1.0000 0.0000 1.92308E-02 0.7002 29 2
8112 . 66.77700 64.000 88.620 1.0000 0.0000 1.56250E-02 0.6997 29 2
8113 . 66.78400 64.000 87.587 1.0000 0.0000 1.56250E-02 0.7002 29 2
8114 . 66.79100 54.000 86.692 1.0000 0.0000 1.85185E-02 0.7002 29 2
8115 . 66.79800 60.000 85.984 1.0000 0.0000 1.66667E-02 0.6997 29 2
8116 . 66.80500 62.000 85.464 1.0000 0.0000 1.61290E-02 0.7002 29 2
8117 . 66.81200 57.000 85.106 1.0000 0.0000 1.75439E-02 0.6997 29 2
8118 . 66.81900 64.000 84.814 1.0000 0.0000 1.56250E-02 0.7002 30 1
8119 . 66.82600 61.000 84.664 1.0000 0.0000 1.63934E-02 0.7002 30 1
8120 . 66.83300 51.000 84.566 1.0000 0.0000 1.96078E-02 0.6997 30 1
8121 . 66.84000 58.000 84.499 1.0000 0.0000 1.72414E-02 0.7002 30 1
8122 . 66.84700 63.000 84.449 1.0000 0.0000 1.58730E-02 0.6997 30 1
8123 . 66.85400 55.000 84.408 1.0000 0.0000 1.81818E-02 0.7002 30 1
8124 . 66.86100 60.000 84.374 1.0000 0.0000 1.66667E-02 0.7002 30 1
8125 . 66.86800 59.000 84.343 1.0000 0.0000 1.69492E-02 0.6997 30 1
8126 . 66.87500 60.000 84.315 1.0000 0.0000 1.66667E-02 0.7002 30 1
8127 . 66.88200 54.000 84.288 1.0000 0.0000 1.85185E-02 0.6997 30 1
8128 . 66.88900 53.000 84.264 1.0000 0.0000 1.88679E-02 0.7002 30 1
8129 . 66.89600 59.000 84.240 1.0000 0.0000 1.69492E-02 0.7002 30 1
8130 . 66.90300 52.000 84.218 1.0000 0.0000 1.92308E-02 0.6997 30 1
8131 . 66.91000 55.000 84.197 1.0000 0.0000 1.81818E-02 0.7002 30 1
8132 . 66.91700 58.000 84.176 1.0000 0.0000 1.72414E-02 0.6997 30 1
8133 . 66.92400 50.000 84.156 1.0000 0.0000 2.00000E-02 0.7002 30 1
8134 . 66.93100 45.000 84.137 1.0000 0.0000 2.22222E-02 0.7002 30 1
8135 . 66.93800 53.000 84.118 1.0000 0.0000 1.88679E-02 0.6997 30 1
8136 . 66.94500 45.000 84.099 1.0000 0.0000 2.22222E-02 0.7002 30 1
8137 . 66.95200 50.000 84.081 1.0000 0.0000 2.00000E-02 0.6997 30 1
8138 . 66.95900 63.000 84.063 1.0000 0.0000 1.58730E-02 0.7002 30 1
8139 . 66.96600 67.000 84.045 1.0000 0.0000 1.49254E-02 0.7002 30 1
8140 . 66.97300 56.000 84.028 1.0000 0.0000 1.78571E-02 0.6997 30 1
8141 . 66.98000 62.000 84.011 1.0000 0.0000 1.61290E-02 0.7002 30 1
8142 . 66.98700 50.000 83.994 1.0000 0.0000 2.00000E-02 0.6997 30 1
8143 . 66.99400 55.000 83.977 1.0000 0.0000 1.81818E-02 0.7002 30 1
8144 . 67.00100 66.000 83.960 1.0000 0.0000 1.51515E-02 0.7002 30 1
8145 B 67.00800 65.000 83.917 1.0000 0.0000 1.53846E-02 0.6997 0 1
8146 B 67.01500 59.000 83.902 1.0000 0.0000 1.69492E-02 0.7002 0 1
8147 B 67.02200 55.000 83.887 1.0000 0.0000 1.81818E-02 0.6997 0 1
8148 B 67.02900 52.000 83.872 1.0000 0.0000 1.92308E-02 0.7002 0 1
8149 B 67.03600 58.000 83.857 1.0000 0.0000 1.72414E-02 0.7002 0 1
8150 B 67.04300 55.000 83.842 1.0000 0.0000 1.81818E-02 0.6997 0 1
8151 B 67.05000 48.000 83.827 1.0000 0.0000 2.08333E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 145
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8152 B 67.05700 63.000 83.812 1.0000 0.0000 1.58730E-02 0.6997 0 1
8153 B 67.06400 65.000 83.797 1.0000 0.0000 1.53846E-02 0.7002 0 1
8154 B 67.07100 57.000 83.782 1.0000 0.0000 1.75439E-02 0.7002 0 1
8155 B 67.07800 60.000 83.767 1.0000 0.0000 1.66667E-02 0.6997 0 1
8156 B 67.08500 61.000 83.752 1.0000 0.0000 1.63934E-02 0.7002 0 1
8157 B 67.09200 56.000 83.737 1.0000 0.0000 1.78571E-02 0.6997 0 1
8158 B 67.09900 56.000 83.722 1.0000 0.0000 1.78571E-02 0.7002 0 1
8159 B 67.10600 55.000 83.707 1.0000 0.0000 1.81818E-02 0.7002 0 1
8160 B 67.11300 58.000 83.692 1.0000 0.0000 1.72414E-02 0.6997 0 1
8161 B 67.12000 52.000 83.677 1.0000 0.0000 1.92308E-02 0.7002 0 1
8162 B 67.12700 57.000 83.662 1.0000 0.0000 1.75439E-02 0.6997 0 1
8163 B 67.13400 63.000 83.647 1.0000 0.0000 1.58730E-02 0.7002 0 1
8164 B 67.14100 54.000 83.632 1.0000 0.0000 1.85185E-02 0.7002 0 1
8165 B 67.14799 49.000 83.617 1.0000 0.0000 2.04082E-02 0.6997 0 1
8166 B 67.15500 50.000 83.602 1.0000 0.0000 2.00000E-02 0.7002 0 1
8167 B 67.16200 51.000 83.587 1.0000 0.0000 1.96078E-02 0.6997 0 1
8168 B 67.16900 52.000 83.572 1.0000 0.0000 1.92308E-02 0.7002 0 1
8169 B 67.17600 52.000 83.557 1.0000 0.0000 1.92308E-02 0.7002 0 1
8170 B 67.18300 61.000 83.542 1.0000 0.0000 1.63934E-02 0.6997 0 1
8171 B 67.19000 53.000 83.527 1.0000 0.0000 1.88679E-02 0.7002 0 1
8172 B 67.19700 57.000 83.512 1.0000 0.0000 1.75439E-02 0.6997 0 1
8173 B 67.20400 44.000 83.497 1.0000 0.0000 2.27273E-02 0.7002 0 1
8174 B 67.21100 56.000 83.482 1.0000 0.0000 1.78571E-02 0.7002 0 1
8175 B 67.21799 48.000 83.468 1.0000 0.0000 2.08333E-02 0.6997 0 1
8176 B 67.22500 45.000 83.453 1.0000 0.0000 2.22222E-02 0.7002 0 1
8177 B 67.23200 55.000 83.438 1.0000 0.0000 1.81818E-02 0.6997 0 1
8178 B 67.23900 60.000 83.423 1.0000 0.0000 1.66667E-02 0.7002 0 1
8179 B 67.24600 46.000 83.408 1.0000 0.0000 2.17391E-02 0.7002 0 1
8180 B 67.25300 56.000 83.393 1.0000 0.0000 1.78571E-02 0.6997 0 1
8181 B 67.26000 63.000 83.378 1.0000 0.0000 1.58730E-02 0.7002 0 1
8182 B 67.26700 46.000 83.363 1.0000 0.0000 2.17391E-02 0.6997 0 1
8183 B 67.27400 49.000 83.348 1.0000 0.0000 2.04082E-02 0.7002 0 1
8184 B 67.28100 41.000 83.333 1.0000 0.0000 2.43902E-02 0.7002 0 1
8185 B 67.28799 48.000 83.318 1.0000 0.0000 2.08333E-02 0.6997 0 1
8186 B 67.29500 51.000 83.304 1.0000 0.0000 1.96078E-02 0.7002 0 1
8187 B 67.30200 50.000 83.289 1.0000 0.0000 2.00000E-02 0.6997 0 1
8188 B 67.30900 58.000 83.274 1.0000 0.0000 1.72414E-02 0.7002 0 1
8189 B 67.31600 58.000 83.259 1.0000 0.0000 1.72414E-02 0.7002 0 1
8190 B 67.32300 58.000 83.244 1.0000 0.0000 1.72414E-02 0.6997 0 1
8191 B 67.33000 53.000 83.229 1.0000 0.0000 1.88679E-02 0.7002 0 1
8192 B 67.33701 57.000 83.214 1.0000 0.0000 1.75439E-02 0.6997 0 1
8193 B 67.34400 59.000 83.199 1.0000 0.0000 1.69492E-02 0.7002 0 1
8194 B 67.35100 55.000 83.185 1.0000 0.0000 1.81818E-02 0.7002 0 1
8195 B 67.35800 52.000 83.170 1.0000 0.0000 1.92308E-02 0.6997 0 1
8196 B 67.36500 52.000 83.155 1.0000 0.0000 1.92308E-02 0.7002 0 1
8197 B 67.37200 50.000 83.140 1.0000 0.0000 2.00000E-02 0.6997 0 1
8198 B 67.37900 51.000 83.125 1.0000 0.0000 1.96078E-02 0.7002 0 1
8199 B 67.38600 46.000 83.110 1.0000 0.0000 2.17391E-02 0.7002 0 1
8200 B 67.39300 38.000 83.095 1.0000 0.0000 2.63158E-02 0.6997 0 1
8201 B 67.40000 53.000 83.080 1.0000 0.0000 1.88679E-02 0.7002 0 1
8202 B 67.40701 61.000 83.066 1.0000 0.0000 1.63934E-02 0.6997 0 1
8203 B 67.41400 46.000 83.051 1.0000 0.0000 2.17391E-02 0.7002 0 1
8204 B 67.42100 52.000 83.036 1.0000 0.0000 1.92308E-02 0.7002 0 1
8205 B 67.42800 52.000 83.021 1.0000 0.0000 1.92308E-02 0.6997 0 1
8206 B 67.43500 55.000 83.006 1.0000 0.0000 1.81818E-02 0.7002 0 1
8207 B 67.44200 50.000 82.991 1.0000 0.0000 2.00000E-02 0.6997 0 1
8208 B 67.44900 55.000 82.977 1.0000 0.0000 1.81818E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 146
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8209 B 67.45600 48.000 82.962 1.0000 0.0000 2.08333E-02 0.7002 0 1
8210 B 67.46300 52.000 82.947 1.0000 0.0000 1.92308E-02 0.6997 0 1
8211 B 67.47000 51.000 82.932 1.0000 0.0000 1.96078E-02 0.7002 0 1
8212 B 67.47701 52.000 82.917 1.0000 0.0000 1.92308E-02 0.6997 0 1
8213 B 67.48400 47.000 82.903 1.0000 0.0000 2.12766E-02 0.7002 0 1
8214 B 67.49100 51.000 82.888 1.0000 0.0000 1.96078E-02 0.7002 0 1
8215 B 67.49800 50.000 82.873 1.0000 0.0000 2.00000E-02 0.6997 0 1
8216 B 67.50500 65.000 82.858 1.0000 0.0000 1.53846E-02 0.7002 0 1
8217 B 67.51200 54.000 82.843 1.0000 0.0000 1.85185E-02 0.6997 0 1
8218 B 67.51900 47.000 82.829 1.0000 0.0000 2.12766E-02 0.7002 0 1
8219 B 67.52600 51.000 82.814 1.0000 0.0000 1.96078E-02 0.7002 0 1
8220 B 67.53300 52.000 82.799 1.0000 0.0000 1.92308E-02 0.6997 0 1
8221 B 67.54000 47.000 82.784 1.0000 0.0000 2.12766E-02 0.7002 0 1
8222 B 67.54700 62.000 82.769 1.0000 0.0000 1.61290E-02 0.6997 0 1
8223 B 67.55400 54.000 82.755 1.0000 0.0000 1.85185E-02 0.7002 0 1
8224 B 67.56100 60.000 82.740 1.0000 0.0000 1.66667E-02 0.7002 0 1
8225 B 67.56800 51.000 82.725 1.0000 0.0000 1.96078E-02 0.6997 0 1
8226 B 67.57500 47.000 82.710 1.0000 0.0000 2.12766E-02 0.7002 0 1
8227 B 67.58200 49.000 82.696 1.0000 0.0000 2.04082E-02 0.6997 0 1
8228 B 67.58900 50.000 82.681 1.0000 0.0000 2.00000E-02 0.7002 0 1
8229 B 67.59600 68.000 82.666 1.0000 0.0000 1.47059E-02 0.7002 0 1
8230 B 67.60300 42.000 82.651 1.0000 0.0000 2.38095E-02 0.6997 0 1
8231 B 67.61000 47.000 82.636 1.0000 0.0000 2.12766E-02 0.7002 0 1
8232 B 67.61700 50.000 82.622 1.0000 0.0000 2.00000E-02 0.6997 0 1
8233 B 67.62400 60.000 82.607 1.0000 0.0000 1.66667E-02 0.7002 0 1
8234 B 67.63100 63.000 82.592 1.0000 0.0000 1.58730E-02 0.7002 0 1
8235 B 67.63800 64.000 82.577 1.0000 0.0000 1.56250E-02 0.6997 0 1
8236 B 67.64500 58.000 82.563 1.0000 0.0000 1.72414E-02 0.7002 0 1
8237 B 67.65200 52.000 82.548 1.0000 0.0000 1.92308E-02 0.6997 0 1
8238 B 67.65900 54.000 82.533 1.0000 0.0000 1.85185E-02 0.7002 0 1
8239 B 67.66600 59.000 82.519 1.0000 0.0000 1.69492E-02 0.7002 0 1
8240 B 67.67300 52.000 82.504 1.0000 0.0000 1.92308E-02 0.6997 0 1
8241 B 67.68000 49.000 82.489 1.0000 0.0000 2.04082E-02 0.7002 0 1
8242 B 67.68700 55.000 82.474 1.0000 0.0000 1.81818E-02 0.6997 0 1
8243 B 67.69400 53.000 82.460 1.0000 0.0000 1.88679E-02 0.7002 0 1
8244 B 67.70100 44.000 82.445 1.0000 0.0000 2.27273E-02 0.7002 0 1
8245 B 67.70800 54.000 82.430 1.0000 0.0000 1.85185E-02 0.6997 0 1
8246 B 67.71500 61.000 82.415 1.0000 0.0000 1.63934E-02 0.7002 0 1
8247 B 67.72200 55.000 82.401 1.0000 0.0000 1.81818E-02 0.6997 0 1
8248 B 67.72900 60.000 82.386 1.0000 0.0000 1.66667E-02 0.7002 0 1
8249 B 67.73600 54.000 82.371 1.0000 0.0000 1.85185E-02 0.7002 0 1
8250 B 67.74300 52.000 82.357 1.0000 0.0000 1.92308E-02 0.6997 0 1
8251 B 67.75000 55.000 82.342 1.0000 0.0000 1.81818E-02 0.7002 0 1
8252 B 67.75700 47.000 82.327 1.0000 0.0000 2.12766E-02 0.6997 0 1
8253 B 67.76400 42.000 82.313 1.0000 0.0000 2.38095E-02 0.7002 0 1
8254 B 67.77100 46.000 82.298 1.0000 0.0000 2.17391E-02 0.7002 0 1
8255 B 67.77800 50.000 82.283 1.0000 0.0000 2.00000E-02 0.6997 0 1
8256 B 67.78500 54.000 82.269 1.0000 0.0000 1.85185E-02 0.7002 0 1
8257 B 67.79200 61.000 82.254 1.0000 0.0000 1.63934E-02 0.6997 0 1
8258 B 67.79900 56.000 82.239 1.0000 0.0000 1.78571E-02 0.7002 0 1
8259 B 67.80600 45.000 82.225 1.0000 0.0000 2.22222E-02 0.7002 0 1
8260 B 67.81300 49.000 82.210 1.0000 0.0000 2.04082E-02 0.6997 0 1
8261 B 67.82000 53.000 82.195 1.0000 0.0000 1.88679E-02 0.7002 0 1
8262 B 67.82700 61.000 82.181 1.0000 0.0000 1.63934E-02 0.6997 0 1
8263 B 67.83400 63.000 82.166 1.0000 0.0000 1.58730E-02 0.7002 0 1
8264 B 67.84100 53.000 82.151 1.0000 0.0000 1.88679E-02 0.7002 0 1
8265 B 67.84800 51.000 82.137 1.0000 0.0000 1.96078E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 147
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8266 B 67.85500 53.000 82.122 1.0000 0.0000 1.88679E-02 0.7002 0 1
8267 B 67.86200 50.000 82.107 1.0000 0.0000 2.00000E-02 0.6997 0 1
8268 B 67.86900 60.000 82.093 1.0000 0.0000 1.66667E-02 0.7002 0 1
8269 B 67.87600 61.000 82.078 1.0000 0.0000 1.63934E-02 0.7002 0 1
8270 B 67.88300 56.000 82.063 1.0000 0.0000 1.78571E-02 0.6997 0 1
8271 B 67.89000 46.000 82.049 1.0000 0.0000 2.17391E-02 0.7002 0 1
8272 B 67.89700 51.000 82.034 1.0000 0.0000 1.96078E-02 0.6997 0 1
8273 B 67.90400 54.000 82.019 1.0000 0.0000 1.85185E-02 0.7002 0 1
8274 B 67.91100 47.000 82.005 1.0000 0.0000 2.12766E-02 0.7002 0 1
8275 B 67.91800 43.000 81.990 1.0000 0.0000 2.32558E-02 0.6997 0 1
8276 B 67.92500 56.000 81.976 1.0000 0.0000 1.78571E-02 0.7002 0 1
8277 B 67.93200 43.000 81.961 1.0000 0.0000 2.32558E-02 0.6997 0 1
8278 B 67.93900 46.000 81.946 1.0000 0.0000 2.17391E-02 0.7002 0 1
8279 B 67.94600 72.000 81.932 1.0000 0.0000 1.38889E-02 0.7002 0 1
8280 B 67.95300 54.000 81.917 1.0000 0.0000 1.85185E-02 0.6997 0 1
8281 B 67.96000 58.000 81.903 1.0000 0.0000 1.72414E-02 0.7002 0 1
8282 B 67.96700 63.000 81.888 1.0000 0.0000 1.58730E-02 0.6997 0 1
8283 B 67.97400 55.000 81.873 1.0000 0.0000 1.81818E-02 0.7002 0 1
8284 B 67.98100 53.000 81.859 1.0000 0.0000 1.88679E-02 0.7002 0 1
8285 B 67.98800 54.000 81.844 1.0000 0.0000 1.85185E-02 0.6997 0 1
8286 B 67.99500 52.000 81.830 1.0000 0.0000 1.92308E-02 0.7002 0 1
8287 B 68.00200 60.000 81.815 1.0000 0.0000 1.66667E-02 0.6997 0 1
8288 B 68.00900 61.000 81.800 1.0000 0.0000 1.63934E-02 0.7002 0 1
8289 B 68.01600 53.000 81.786 1.0000 0.0000 1.88679E-02 0.7002 0 1
8290 B 68.02299 57.000 81.771 1.0000 0.0000 1.75439E-02 0.6997 0 1
8291 B 68.03000 57.000 81.757 1.0000 0.0000 1.75439E-02 0.7002 0 1
8292 B 68.03700 68.000 81.742 1.0000 0.0000 1.47059E-02 0.6997 0 1
8293 B 68.04400 50.000 81.728 1.0000 0.0000 2.00000E-02 0.7002 0 1
8294 B 68.05100 56.000 81.713 1.0000 0.0000 1.78571E-02 0.7002 0 1
8295 B 68.05800 78.000 81.698 1.0000 0.0000 1.28205E-02 0.6997 0 1
8296 B 68.06500 62.000 81.684 1.0000 0.0000 1.61290E-02 0.7002 0 1
8297 B 68.07200 61.000 81.669 1.0000 0.0000 1.63934E-02 0.6997 0 1
8298 B 68.07900 67.000 81.655 1.0000 0.0000 1.49254E-02 0.7002 0 1
8299 B 68.08600 63.000 81.640 1.0000 0.0000 1.58730E-02 0.7002 0 1
8300 B 68.09299 57.000 81.626 1.0000 0.0000 1.75439E-02 0.6997 0 1
8301 B 68.10000 51.000 81.611 1.0000 0.0000 1.96078E-02 0.7002 0 1
8302 B 68.10700 63.000 81.597 1.0000 0.0000 1.58730E-02 0.6997 0 1
8303 B 68.11400 66.000 81.582 1.0000 0.0000 1.51515E-02 0.7002 0 1
8304 B 68.12100 65.000 81.568 1.0000 0.0000 1.53846E-02 0.7002 0 1
8305 B 68.12800 66.000 81.553 1.0000 0.0000 1.51515E-02 0.6997 0 1
8306 B 68.13500 66.000 81.538 1.0000 0.0000 1.51515E-02 0.7002 0 1
8307 B 68.14200 60.000 81.524 1.0000 0.0000 1.66667E-02 0.6997 0 1
8308 B 68.14900 65.000 81.509 1.0000 0.0000 1.53846E-02 0.7002 0 1
8309 B 68.15600 66.000 81.495 1.0000 0.0000 1.51515E-02 0.7002 0 1
8310 B 68.16299 68.000 81.480 1.0000 0.0000 1.47059E-02 0.6997 0 1
8311 B 68.17000 62.000 81.466 1.0000 0.0000 1.61290E-02 0.7002 0 1
8312 B 68.17700 67.000 81.451 1.0000 0.0000 1.49254E-02 0.6997 0 1
8313 B 68.18400 62.000 81.437 1.0000 0.0000 1.61290E-02 0.7002 0 1
8314 B 68.19100 61.000 81.422 1.0000 0.0000 1.63934E-02 0.7002 0 1
8315 B 68.19800 73.000 81.408 1.0000 0.0000 1.36986E-02 0.6997 0 1
8316 B 68.20500 72.000 81.393 1.0000 0.0000 1.38889E-02 0.7002 0 1
8317 B 68.21201 71.000 81.379 1.0000 0.0000 1.40845E-02 0.6997 0 1
8318 B 68.21900 69.000 81.364 1.0000 0.0000 1.44928E-02 0.7002 0 1
8319 B 68.22600 65.000 81.350 1.0000 0.0000 1.53846E-02 0.7002 0 1
8320 B 68.23300 72.000 81.335 1.0000 0.0000 1.38889E-02 0.6997 0 1
8321 B 68.24000 68.000 81.321 1.0000 0.0000 1.47059E-02 0.7002 0 1
8322 B 68.24700 78.000 81.306 1.0000 0.0000 1.28205E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 148
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8323 B 68.25400 69.000 81.292 1.0000 0.0000 1.44928E-02 0.7002 0 1
8324 B 68.26100 67.000 81.278 1.0000 0.0000 1.49254E-02 0.7002 0 1
8325 B 68.26800 66.000 81.263 1.0000 0.0000 1.51515E-02 0.6997 0 1
8326 B 68.27500 76.000 81.249 1.0000 0.0000 1.31579E-02 0.7002 0 1
8327 B 68.28201 80.000 81.234 1.0000 0.0000 1.25000E-02 0.6997 0 1
8328 B 68.28900 79.000 81.220 1.0000 0.0000 1.26582E-02 0.7002 0 1
8329 B 68.29600 69.000 81.205 1.0000 0.0000 1.44928E-02 0.7002 0 1
8330 B 68.30300 74.000 81.191 1.0000 0.0000 1.35135E-02 0.6997 0 1
8331 B 68.31000 76.000 81.176 1.0000 0.0000 1.31579E-02 0.7002 0 1
8332 B 68.31700 78.000 81.162 1.0000 0.0000 1.28205E-02 0.6997 0 1
8333 B 68.32400 87.000 81.147 1.0000 0.0000 1.14943E-02 0.7002 0 1
8334 B 68.33100 82.000 81.133 1.0000 0.0000 1.21951E-02 0.7002 0 1
8335 B 68.33800 76.000 81.119 1.0000 0.0000 1.31579E-02 0.6997 0 1
8336 B 68.34500 77.000 81.104 1.0000 0.0000 1.29870E-02 0.7002 0 1
8337 B 68.35201 86.000 81.090 1.0000 0.0000 1.16279E-02 0.6997 0 1
8338 B 68.35900 78.000 81.075 1.0000 0.0000 1.28205E-02 0.7002 0 1
8339 B 68.36600 73.000 81.061 1.0000 0.0000 1.36986E-02 0.7002 0 1
8340 B 68.37300 89.000 81.046 1.0000 0.0000 1.12360E-02 0.6997 0 1
8341 B 68.38000 94.000 81.032 1.0000 0.0000 1.06383E-02 0.7002 0 1
8342 B 68.38700 90.000 81.018 1.0000 0.0000 1.11111E-02 0.6997 0 1
8343 B 68.39400 96.000 81.003 1.0000 0.0000 1.04167E-02 0.7002 0 1
8344 B 68.40100 97.000 80.989 1.0000 0.0000 1.03093E-02 0.7002 0 1
8345 B 68.40800 79.000 80.974 1.0000 0.0000 1.26582E-02 0.6997 0 1
8346 B 68.41500 77.000 80.960 1.0000 0.0000 1.29870E-02 0.7002 0 1
8347 B 68.42200 77.000 80.946 1.0000 0.0000 1.29870E-02 0.6997 0 1
8348 B 68.42900 89.000 80.931 1.0000 0.0000 1.12360E-02 0.7002 0 1
8349 B 68.43600 91.000 80.917 1.0000 0.0000 1.09890E-02 0.7002 0 1
8350 B 68.44300 118.00 80.902 1.0000 0.0000 8.47458E-03 0.6997 0 1
8351 B 68.45000 105.00 80.888 1.0000 0.0000 9.52381E-03 0.7002 0 1
8352 B 68.45700 99.000 80.874 1.0000 0.0000 1.01010E-02 0.6997 0 1
8353 B 68.46400 103.00 80.859 1.0000 0.0000 9.70874E-03 0.7002 0 1
8354 B 68.47100 112.00 80.845 1.0000 0.0000 8.92857E-03 0.7002 0 1
8355 B 68.47800 112.00 80.830 1.0000 0.0000 8.92857E-03 0.6997 0 1
8356 B 68.48500 113.00 80.816 1.0000 0.0000 8.84956E-03 0.7002 0 1
8357 B 68.49200 105.00 80.802 1.0000 0.0000 9.52381E-03 0.6997 0 1
8358 B 68.49900 107.00 80.787 1.0000 0.0000 9.34579E-03 0.7002 0 1
8359 B 68.50600 116.00 80.773 1.0000 0.0000 8.62069E-03 0.7002 0 1
8360 B 68.51300 127.00 80.759 1.0000 0.0000 7.87402E-03 0.6997 0 1
8361 B 68.52000 129.00 80.744 1.0000 0.0000 7.75194E-03 0.7002 0 1
8362 B 68.52700 129.00 80.730 1.0000 0.0000 7.75194E-03 0.6997 0 1
8363 B 68.53400 118.00 80.716 1.0000 0.0000 8.47458E-03 0.7002 0 1
8364 B 68.54100 118.00 80.701 1.0000 0.0000 8.47458E-03 0.7002 0 1
8365 B 68.54800 124.00 80.687 1.0000 0.0000 8.06452E-03 0.6997 0 1
8366 B 68.55500 123.00 80.673 1.0000 0.0000 8.13008E-03 0.7002 0 1
8367 B 68.56200 118.00 80.658 1.0000 0.0000 8.47458E-03 0.6997 0 1
8368 B 68.56900 114.00 80.644 1.0000 0.0000 8.77193E-03 0.7002 0 1
8369 B 68.57600 109.00 80.630 1.0000 0.0000 9.17431E-03 0.7002 0 1
8370 B 68.58300 139.00 80.615 1.0000 0.0000 7.19424E-03 0.6997 0 1
8371 B 68.59000 119.00 80.601 1.0000 0.0000 8.40336E-03 0.7002 0 1
8372 B 68.59700 111.00 80.587 1.0000 0.0000 9.00901E-03 0.6997 0 1
8373 B 68.60400 137.00 80.572 1.0000 0.0000 7.29927E-03 0.7002 0 1
8374 B 68.61100 130.00 80.558 1.0000 0.0000 7.69231E-03 0.7002 0 1
8375 B 68.61800 116.00 80.544 1.0000 0.0000 8.62069E-03 0.6997 0 1
8376 B 68.62500 122.00 80.529 1.0000 0.0000 8.19672E-03 0.7002 0 1
8377 B 68.63200 117.00 80.515 1.0000 0.0000 8.54701E-03 0.6997 0 1
8378 B 68.63900 121.00 80.501 1.0000 0.0000 8.26446E-03 0.7002 0 1
8379 B 68.64600 140.00 80.486 1.0000 0.0000 7.14286E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 149
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8380 B 68.65300 127.00 80.472 1.0000 0.0000 7.87402E-03 0.6997 0 1
8381 B 68.66000 123.00 80.458 1.0000 0.0000 8.13008E-03 0.7002 0 1
8382 B 68.66700 128.00 80.444 1.0000 0.0000 7.81250E-03 0.6997 0 1
8383 B 68.67400 127.00 80.429 1.0000 0.0000 7.87402E-03 0.7002 0 1
8384 B 68.68100 107.00 80.415 1.0000 0.0000 9.34579E-03 0.7002 0 1
8385 B 68.68800 129.00 80.401 1.0000 0.0000 7.75194E-03 0.6997 0 1
8386 B 68.69500 102.00 80.386 1.0000 0.0000 9.80392E-03 0.7002 0 1
8387 B 68.70200 125.00 80.372 1.0000 0.0000 8.00000E-03 0.6997 0 1
8388 B 68.70900 121.00 80.358 1.0000 0.0000 8.26446E-03 0.7002 0 1
8389 B 68.71600 130.00 80.344 1.0000 0.0000 7.69231E-03 0.7002 0 1
8390 B 68.72300 127.00 80.329 1.0000 0.0000 7.87402E-03 0.6997 0 1
8391 B 68.73000 135.00 80.315 1.0000 0.0000 7.40741E-03 0.7002 0 1
8392 B 68.73700 124.00 80.301 1.0000 0.0000 8.06452E-03 0.6997 0 1
8393 B 68.74400 120.00 80.286 1.0000 0.0000 8.33333E-03 0.7002 0 1
8394 B 68.75100 116.00 80.272 1.0000 0.0000 8.62069E-03 0.7002 0 1
8395 . 68.75800 120.00 80.406 1.0000 0.0000 8.33333E-03 0.6997 31 1
8396 . 68.76500 125.00 80.400 1.0000 0.0000 8.00000E-03 0.7002 31 1
8397 . 68.77200 125.00 80.395 1.0000 0.0000 8.00000E-03 0.6997 31 1
8398 . 68.77900 118.00 80.390 1.0000 0.0000 8.47458E-03 0.7002 31 1
8399 . 68.78600 133.00 80.387 1.0000 0.0000 7.51880E-03 0.7002 31 1
8400 . 68.79300 124.00 80.384 1.0000 0.0000 8.06452E-03 0.6997 31 1
8401 . 68.80000 122.00 80.383 1.0000 0.0000 8.19672E-03 0.7002 31 1
8402 . 68.80700 110.00 80.383 1.0000 0.0000 9.09091E-03 0.6997 31 1
8403 . 68.81400 127.00 80.385 1.0000 0.0000 7.87402E-03 0.7002 31 1
8404 . 68.82100 120.00 80.388 1.0000 0.0000 8.33333E-03 0.7002 31 1
8405 . 68.82800 106.00 80.393 1.0000 0.0000 9.43396E-03 0.6997 31 1
8406 . 68.83500 115.00 80.400 1.0000 0.0000 8.69565E-03 0.7002 31 1
8407 . 68.84200 124.00 80.410 1.0000 0.0000 8.06452E-03 0.6997 31 1
8408 . 68.84900 121.00 80.423 1.0000 0.0000 8.26446E-03 0.7002 31 1
8409 . 68.85600 121.00 80.440 1.0000 0.0000 8.26446E-03 0.7002 31 1
8410 . 68.86300 118.00 80.460 1.0000 0.0000 8.47458E-03 0.6997 31 1
8411 . 68.87000 124.00 80.486 1.0000 0.0000 8.06452E-03 0.7002 31 1
8412 . 68.87700 137.00 80.517 1.0000 0.0000 7.29927E-03 0.6997 31 1
8413 . 68.88400 132.00 80.556 1.0000 0.0000 7.57576E-03 0.7002 31 1
8414 . 68.89100 129.00 80.604 1.0000 0.0000 7.75194E-03 0.7002 31 1
8415 . 68.89799 103.00 80.953 1.0000 0.0000 9.70874E-03 0.6997 31 2
8416 . 68.90500 114.00 81.043 1.0000 0.0000 8.77193E-03 0.7002 31 2
8417 . 68.91200 125.00 81.156 1.0000 0.0000 8.00000E-03 0.6997 31 2
8418 . 68.91900 140.00 81.304 1.0000 0.0000 7.14286E-03 0.7002 31 2
8419 . 68.92600 126.00 81.511 1.0000 0.0000 7.93651E-03 0.7002 31 2
8420 . 68.93300 118.00 81.821 1.0000 0.0000 8.47458E-03 0.6997 31 2
8421 . 68.94000 126.00 82.310 1.0000 0.0000 7.93651E-03 0.7002 31 2
8422 . 68.94700 116.00 83.097 1.0000 0.0000 8.62069E-03 0.6997 31 2
8423 . 68.95400 116.00 84.425 1.0000 0.0000 8.62069E-03 0.7002 31 3
8424 . 68.96100 123.00 86.356 1.0000 0.0000 8.13008E-03 0.7002 31 3
8425 . 68.96799 122.00 89.157 1.0000 0.0000 8.19672E-03 0.6997 31 3
8426 . 68.97500 129.00 92.954 1.0000 0.0000 7.75194E-03 0.7002 31 3
8427 . 68.98200 120.00 97.703 1.0000 0.0000 8.33333E-03 0.6997 31 3
8428 . 68.98900 115.00 103.11 1.0000 0.0000 8.69565E-03 0.7002 31 3
8429 . 68.99600 121.00 108.59 1.0000 0.0000 8.26446E-03 0.7002 31 3
8430 . 69.00300 130.00 113.23 1.0000 0.0000 7.69231E-03 0.6997 31 3
8431 .1 69.01000 124.00 115.96 1.0000 0.0000 8.06452E-03 0.7002 31 3
8432 . 69.01700 115.00 115.96 1.0000 0.0000 8.69565E-03 0.6997 31 3
8433 . 69.02400 124.00 113.27 1.0000 0.0000 8.06452E-03 0.7002 31 3
8434 . 69.03100 125.00 108.73 1.0000 0.0000 8.00000E-03 0.7002 31 3
8435 . 69.03799 115.00 103.42 1.0000 0.0000 8.69565E-03 0.6997 31 3
8436 . 69.04500 117.00 98.247 1.0000 0.0000 8.54701E-03 0.7002 31 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 150
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8437 . 69.05200 111.00 93.792 1.0000 0.0000 9.00901E-03 0.6997 31 3
8438 . 69.05900 113.00 90.356 1.0000 0.0000 8.84956E-03 0.7002 31 3
8439 . 69.06600 121.00 88.008 1.0000 0.0000 8.26446E-03 0.7002 31 3
8440 . 69.07300 129.00 86.698 1.0000 0.0000 7.75194E-03 0.6997 31 3
8441 . 69.08000 117.00 86.359 1.0000 0.0000 8.54701E-03 0.7002 31 3
8442 . 69.08701 117.00 87.005 1.0000 0.0000 8.54701E-03 0.6997 31 3
8443 . 69.09400 122.00 88.931 1.0000 0.0000 8.19672E-03 0.7002 31 4
8444 . 69.10100 100.00 92.134 1.0000 0.0000 1.00000E-02 0.7002 31 4
8445 . 69.10800 114.00 97.086 1.0000 0.0000 8.77193E-03 0.6997 31 4
8446 . 69.11500 108.00 104.05 1.0000 0.0000 9.25926E-03 0.7002 31 4
8447 . 69.12200 111.00 113.02 1.0000 0.0000 9.00901E-03 0.6997 31 4
8448 . 69.12900 126.00 123.53 1.0000 0.0000 7.93651E-03 0.7002 31 4
8449 . 69.13600 103.00 134.61 1.0000 0.0000 9.70874E-03 0.7002 31 4
8450 . 69.14300 109.00 144.64 1.0000 0.0000 9.17431E-03 0.6997 31 4
8451 .1 69.15000 113.00 151.58 1.0000 0.0000 8.84956E-03 0.7002 31 4
8452 . 69.15701 108.00 153.70 1.0000 0.0000 9.25926E-03 0.6997 31 4
8453 . 69.16400 127.00 150.72 1.0000 0.0000 7.87402E-03 0.7002 31 4
8454 . 69.17100 117.00 144.07 1.0000 0.0000 8.54701E-03 0.7002 31 4
8455 . 69.17800 112.00 135.85 1.0000 0.0000 8.92857E-03 0.6997 31 4
8456 . 69.18500 118.00 127.75 1.0000 0.0000 8.47458E-03 0.7002 31 4
8457 . 69.19200 112.00 120.75 1.0000 0.0000 8.92857E-03 0.6997 31 4
8458 . 69.19900 107.00 115.05 1.0000 0.0000 9.34579E-03 0.7002 31 4
8459 .1 69.20600 103.00 110.25 1.0000 0.0000 9.70874E-03 0.7002 31 4
8460 . 69.21300 106.00 105.85 1.0000 0.0000 9.43396E-03 0.6997 31 4
8461 . 69.22000 96.000 101.67 1.0000 0.0000 1.04167E-02 0.7002 31 5
8462 . 69.22701 112.00 97.589 1.0000 0.0000 8.92857E-03 0.6997 31 5
8463 . 69.23400 95.000 93.884 1.0000 0.0000 1.05263E-02 0.7002 31 5
8464 . 69.24100 119.00 90.707 1.0000 0.0000 8.40336E-03 0.7002 31 5
8465 . 69.24800 103.00 88.154 1.0000 0.0000 9.70874E-03 0.6997 31 5
8466 . 69.25500 94.000 86.246 1.0000 0.0000 1.06383E-02 0.7002 31 5
8467 . 69.26200 104.00 84.948 1.0000 0.0000 9.61538E-03 0.6997 31 5
8468 . 69.26900 115.00 84.051 1.0000 0.0000 8.69565E-03 0.7002 32 4
8469 . 69.27600 113.00 83.813 1.0000 0.0000 8.84956E-03 0.7002 32 4
8470 . 69.28300 105.00 84.087 1.0000 0.0000 9.52381E-03 0.6997 32 4
8471 . 69.29000 97.000 84.954 1.0000 0.0000 1.03093E-02 0.7002 32 4
8472 . 69.29700 98.000 86.557 1.0000 0.0000 1.02041E-02 0.6997 32 4
8473 . 69.30400 98.000 89.059 1.0000 0.0000 1.02041E-02 0.7002 32 4
8474 . 69.31100 108.00 92.569 1.0000 0.0000 9.25926E-03 0.7002 32 4
8475 . 69.31800 101.00 97.044 1.0000 0.0000 9.90099E-03 0.6997 32 4
8476 . 69.32500 107.00 102.22 1.0000 0.0000 9.34579E-03 0.7002 32 4
8477 . 69.33200 106.00 107.52 1.0000 0.0000 9.43396E-03 0.6997 32 4
8478 . 69.33900 111.00 112.07 1.0000 0.0000 9.00901E-03 0.7002 32 4
8479 .1 69.34600 110.00 114.81 1.0000 0.0000 9.09091E-03 0.7002 32 4
8480 . 69.35300 105.00 114.90 1.0000 0.0000 9.52381E-03 0.6997 32 4
8481 . 69.36000 107.00 112.31 1.0000 0.0000 9.34579E-03 0.7002 32 4
8482 . 69.36700 98.000 107.80 1.0000 0.0000 1.02041E-02 0.6997 32 4
8483 . 69.37400 92.000 102.47 1.0000 0.0000 1.08696E-02 0.7002 32 4
8484 . 69.38100 93.000 97.204 1.0000 0.0000 1.07527E-02 0.7002 32 4
8485 . 69.38800 105.00 92.612 1.0000 0.0000 9.52381E-03 0.6997 32 4
8486 . 69.39500 106.00 89.007 1.0000 0.0000 9.43396E-03 0.7002 32 4
8487 . 69.40200 94.000 86.479 1.0000 0.0000 1.06383E-02 0.6997 32 4
8488 . 69.40900 103.00 84.682 1.0000 0.0000 9.70874E-03 0.7002 33 3
8489 . 69.41600 86.000 84.173 1.0000 0.0000 1.16279E-02 0.7002 33 4
8490 . 69.42300 84.000 84.469 1.0000 0.0000 1.19048E-02 0.6997 33 4
8491 . 69.43000 94.000 85.571 1.0000 0.0000 1.06383E-02 0.7002 33 4
8492 . 69.43700 85.000 87.443 1.0000 0.0000 1.17647E-02 0.6997 33 4
8493 . 69.44400 88.000 90.000 1.0000 0.0000 1.13636E-02 0.7002 33 4
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 151
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8494 . 69.45100 92.000 93.051 1.0000 0.0000 1.08696E-02 0.7002 33 4
8495 . 69.45800 97.000 96.238 1.0000 0.0000 1.03093E-02 0.6997 33 4
8496 . 69.46500 104.00 98.959 1.0000 0.0000 9.61538E-03 0.7002 34 3
8497 .1 69.47200 81.000 100.71 1.0000 0.0000 1.23457E-02 0.6997 34 3
8498 . 69.47900 81.000 100.86 1.0000 0.0000 1.23457E-02 0.7002 34 3
8499 . 69.48600 87.000 99.337 1.0000 0.0000 1.14943E-02 0.7002 34 3
8500 . 69.49300 91.000 96.598 1.0000 0.0000 1.09890E-02 0.6997 34 3
8501 . 69.50000 97.000 93.288 1.0000 0.0000 1.03093E-02 0.7002 34 3
8502 . 69.50700 91.000 89.974 1.0000 0.0000 1.09890E-02 0.6997 34 3
8503 . 69.51400 83.000 87.035 1.0000 0.0000 1.20482E-02 0.7002 34 3
8504 . 69.52100 78.000 84.661 1.0000 0.0000 1.28205E-02 0.7002 34 3
8505 . 69.52800 73.000 82.894 1.0000 0.0000 1.36986E-02 0.6997 34 3
8506 . 69.53500 88.000 81.666 1.0000 0.0000 1.13636E-02 0.7002 34 3
8507 . 69.54200 84.000 80.860 1.0000 0.0000 1.19048E-02 0.6997 34 3
8508 . 69.54900 81.000 80.353 1.0000 0.0000 1.23457E-02 0.7002 34 3
8509 . 69.55600 97.000 80.039 1.0000 0.0000 1.03093E-02 0.7002 34 3
8510 . 69.56300 83.000 79.845 1.0000 0.0000 1.20482E-02 0.6997 34 3
8511 . 69.57000 79.000 79.723 1.0000 0.0000 1.26582E-02 0.7002 34 3
8512 . 69.57700 73.000 79.648 1.0000 0.0000 1.36986E-02 0.6997 34 3
8513 . 69.58400 93.000 79.613 1.0000 0.0000 1.07527E-02 0.7002 34 3
8514 . 69.59100 80.000 79.620 1.0000 0.0000 1.25000E-02 0.7002 34 3
8515 . 69.59800 65.000 79.685 1.0000 0.0000 1.53846E-02 0.6997 34 3
8516 . 69.60500 70.000 79.694 1.0000 0.0000 1.42857E-02 0.7002 35 2
8517 . 69.61200 87.000 79.995 1.0000 0.0000 1.14943E-02 0.6997 35 2
8518 . 69.61900 73.000 80.490 1.0000 0.0000 1.36986E-02 0.7002 35 2
8519 . 69.62600 66.000 81.240 1.0000 0.0000 1.51515E-02 0.7002 35 2
8520 . 69.63300 91.000 82.287 1.0000 0.0000 1.09890E-02 0.6997 35 2
8521 . 69.64000 85.000 83.627 1.0000 0.0000 1.17647E-02 0.7002 35 2
8522 . 69.64700 80.000 85.187 1.0000 0.0000 1.25000E-02 0.6997 35 2
8523 . 69.65400 81.000 86.803 1.0000 0.0000 1.23457E-02 0.7002 35 2
8524 . 69.66100 90.000 88.219 1.0000 0.0000 1.11111E-02 0.7002 35 2
8525 .1 69.66800 88.000 89.112 1.0000 0.0000 1.13636E-02 0.6997 35 2
8526 . 69.67500 72.000 89.213 1.0000 0.0000 1.38889E-02 0.7002 35 2
8527 . 69.68200 81.000 88.478 1.0000 0.0000 1.23457E-02 0.6997 35 2
8528 . 69.68900 81.000 87.130 1.0000 0.0000 1.23457E-02 0.7002 35 2
8529 . 69.69600 84.000 85.491 1.0000 0.0000 1.19048E-02 0.7002 35 2
8530 . 69.70300 88.000 83.844 1.0000 0.0000 1.13636E-02 0.6997 35 2
8531 . 69.71000 82.000 82.376 1.0000 0.0000 1.21951E-02 0.7002 35 2
8532 . 69.71700 76.000 81.187 1.0000 0.0000 1.31579E-02 0.6997 35 2
8533 . 69.72400 89.000 80.297 1.0000 0.0000 1.12360E-02 0.7002 35 2
8534 . 69.73100 85.000 79.583 1.0000 0.0000 1.17647E-02 0.7002 36 1
8535 . 69.73800 75.000 79.174 1.0000 0.0000 1.33333E-02 0.6997 36 1
8536 . 69.74500 80.000 78.912 1.0000 0.0000 1.25000E-02 0.7002 36 1
8537 . 69.75200 68.000 78.744 1.0000 0.0000 1.47059E-02 0.6997 36 1
8538 . 69.75900 66.000 78.634 1.0000 0.0000 1.51515E-02 0.7002 36 1
8539 . 69.76600 81.000 78.556 1.0000 0.0000 1.23457E-02 0.7002 36 1
8540 . 69.77299 88.000 78.498 1.0000 0.0000 1.13636E-02 0.6997 36 1
8541 . 69.78000 84.000 78.450 1.0000 0.0000 1.19048E-02 0.7002 36 1
8542 . 69.78700 84.000 78.408 1.0000 0.0000 1.19048E-02 0.6997 36 1
8543 . 69.79400 81.000 78.372 1.0000 0.0000 1.23457E-02 0.7002 36 1
8544 . 69.80100 77.000 78.339 1.0000 0.0000 1.29870E-02 0.7002 36 1
8545 . 69.80800 74.000 78.309 1.0000 0.0000 1.35135E-02 0.6997 36 1
8546 . 69.81500 67.000 78.281 1.0000 0.0000 1.49254E-02 0.7002 36 1
8547 . 69.82200 72.000 78.255 1.0000 0.0000 1.38889E-02 0.6997 36 1
8548 . 69.82900 74.000 78.231 1.0000 0.0000 1.35135E-02 0.7002 36 1
8549 . 69.83600 79.000 78.207 1.0000 0.0000 1.26582E-02 0.7002 36 1
8550 . 69.84299 73.000 78.185 1.0000 0.0000 1.36986E-02 0.6997 36 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 152
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8551 . 69.85000 67.000 78.164 1.0000 0.0000 1.49254E-02 0.7002 36 1
8552 . 69.85700 58.000 78.144 1.0000 0.0000 1.72414E-02 0.6997 36 1
8553 . 69.86400 73.000 78.124 1.0000 0.0000 1.36986E-02 0.7002 36 1
8554 . 69.87100 67.000 78.105 1.0000 0.0000 1.49254E-02 0.7002 36 1
8555 . 69.87800 70.000 78.086 1.0000 0.0000 1.42857E-02 0.6997 36 1
8556 . 69.88500 80.000 78.068 1.0000 0.0000 1.25000E-02 0.7002 36 1
8557 . 69.89200 73.000 78.050 1.0000 0.0000 1.36986E-02 0.6997 36 1
8558 . 69.89900 75.000 78.033 1.0000 0.0000 1.33333E-02 0.7002 36 1
8559 . 69.90600 71.000 78.016 1.0000 0.0000 1.40845E-02 0.7002 36 1
8560 . 69.91299 63.000 77.999 1.0000 0.0000 1.58730E-02 0.6997 36 1
8561 . 69.92000 68.000 77.983 1.0000 0.0000 1.47059E-02 0.7002 36 1
8562 B 69.92700 69.000 77.921 1.0000 0.0000 1.44928E-02 0.6997 0 1
8563 B 69.93400 66.000 77.907 1.0000 0.0000 1.51515E-02 0.7002 0 1
8564 B 69.94100 78.000 77.894 1.0000 0.0000 1.28205E-02 0.7002 0 1
8565 B 69.94800 74.000 77.880 1.0000 0.0000 1.35135E-02 0.6997 0 1
8566 B 69.95500 64.000 77.866 1.0000 0.0000 1.56250E-02 0.7002 0 1
8567 B 69.96201 68.000 77.852 1.0000 0.0000 1.47059E-02 0.6997 0 1
8568 B 69.96900 77.000 77.839 1.0000 0.0000 1.29870E-02 0.7002 0 1
8569 B 69.97600 66.000 77.825 1.0000 0.0000 1.51515E-02 0.7002 0 1
8570 B 69.98300 64.000 77.811 1.0000 0.0000 1.56250E-02 0.6997 0 1
8571 B 69.99000 74.000 77.798 1.0000 0.0000 1.35135E-02 0.7002 0 1
8572 B 69.99700 78.000 77.784 1.0000 0.0000 1.28205E-02 0.6997 0 1
8573 B 70.00400 80.000 77.770 1.0000 0.0000 1.25000E-02 0.7002 0 1
8574 B 70.01100 76.000 77.756 1.0000 0.0000 1.31579E-02 0.7002 0 1
8575 B 70.01800 74.000 77.743 1.0000 0.0000 1.35135E-02 0.6997 0 1
8576 B 70.02500 77.000 77.729 1.0000 0.0000 1.29870E-02 0.7002 0 1
8577 B 70.03201 88.000 77.715 1.0000 0.0000 1.13636E-02 0.6997 0 1
8578 B 70.03900 76.000 77.702 1.0000 0.0000 1.31579E-02 0.7002 0 1
8579 B 70.04600 63.000 77.688 1.0000 0.0000 1.58730E-02 0.7002 0 1
8580 B 70.05300 63.000 77.674 1.0000 0.0000 1.58730E-02 0.6997 0 1
8581 B 70.06000 71.000 77.661 1.0000 0.0000 1.40845E-02 0.7002 0 1
8582 B 70.06700 89.000 77.647 1.0000 0.0000 1.12360E-02 0.6997 0 1
8583 B 70.07400 76.000 77.633 1.0000 0.0000 1.31579E-02 0.7002 0 1
8584 B 70.08100 78.000 77.620 1.0000 0.0000 1.28205E-02 0.7002 0 1
8585 B 70.08800 78.000 77.606 1.0000 0.0000 1.28205E-02 0.6997 0 1
8586 B 70.09500 69.000 77.592 1.0000 0.0000 1.44928E-02 0.7002 0 1
8587 B 70.10201 76.000 77.579 1.0000 0.0000 1.31579E-02 0.6997 0 1
8588 B 70.10900 76.000 77.565 1.0000 0.0000 1.31579E-02 0.7002 0 1
8589 B 70.11600 68.000 77.551 1.0000 0.0000 1.47059E-02 0.7002 0 1
8590 B 70.12300 67.000 77.538 1.0000 0.0000 1.49254E-02 0.6997 0 1
8591 B 70.13000 62.000 77.524 1.0000 0.0000 1.61290E-02 0.7002 0 1
8592 B 70.13700 63.000 77.510 1.0000 0.0000 1.58730E-02 0.6997 0 1
8593 B 70.14400 70.000 77.497 1.0000 0.0000 1.42857E-02 0.7002 0 1
8594 B 70.15100 70.000 77.483 1.0000 0.0000 1.42857E-02 0.7002 0 1
8595 B 70.15800 70.000 77.469 1.0000 0.0000 1.42857E-02 0.6997 0 1
8596 B 70.16500 76.000 77.456 1.0000 0.0000 1.31579E-02 0.7002 0 1
8597 B 70.17200 74.000 77.442 1.0000 0.0000 1.35135E-02 0.6997 0 1
8598 B 70.17900 70.000 77.428 1.0000 0.0000 1.42857E-02 0.7002 0 1
8599 B 70.18600 62.000 77.415 1.0000 0.0000 1.61290E-02 0.7002 0 1
8600 B 70.19300 85.000 77.401 1.0000 0.0000 1.17647E-02 0.6997 0 1
8601 B 70.20000 67.000 77.388 1.0000 0.0000 1.49254E-02 0.7002 0 1
8602 B 70.20700 75.000 77.374 1.0000 0.0000 1.33333E-02 0.6997 0 1
8603 B 70.21400 72.000 77.360 1.0000 0.0000 1.38889E-02 0.7002 0 1
8604 B 70.22100 60.000 77.347 1.0000 0.0000 1.66667E-02 0.7002 0 1
8605 B 70.22800 70.000 77.333 1.0000 0.0000 1.42857E-02 0.6997 0 1
8606 B 70.23500 72.000 77.320 1.0000 0.0000 1.38889E-02 0.7002 0 1
8607 B 70.24200 64.000 77.306 1.0000 0.0000 1.56250E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 153
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8608 B 70.24900 70.000 77.292 1.0000 0.0000 1.42857E-02 0.7002 0 1
8609 B 70.25600 64.000 77.279 1.0000 0.0000 1.56250E-02 0.7002 0 1
8610 B 70.26300 72.000 77.265 1.0000 0.0000 1.38889E-02 0.6997 0 1
8611 B 70.27000 66.000 77.252 1.0000 0.0000 1.51515E-02 0.7002 0 1
8612 B 70.27700 54.000 77.238 1.0000 0.0000 1.85185E-02 0.6997 0 1
8613 B 70.28400 47.000 77.224 1.0000 0.0000 2.12766E-02 0.7002 0 1
8614 B 70.29100 61.000 77.211 1.0000 0.0000 1.63934E-02 0.7002 0 1
8615 B 70.29800 65.000 77.197 1.0000 0.0000 1.53846E-02 0.6997 0 1
8616 B 70.30500 67.000 77.184 1.0000 0.0000 1.49254E-02 0.7002 0 1
8617 B 70.31200 71.000 77.170 1.0000 0.0000 1.40845E-02 0.6997 0 1
8618 B 70.31900 65.000 77.157 1.0000 0.0000 1.53846E-02 0.7002 0 1
8619 B 70.32600 67.000 77.143 1.0000 0.0000 1.49254E-02 0.7002 0 1
8620 B 70.33300 61.000 77.129 1.0000 0.0000 1.63934E-02 0.6997 0 1
8621 B 70.34000 64.000 77.116 1.0000 0.0000 1.56250E-02 0.7002 0 1
8622 B 70.34700 79.000 77.102 1.0000 0.0000 1.26582E-02 0.6997 0 1
8623 B 70.35400 72.000 77.089 1.0000 0.0000 1.38889E-02 0.7002 0 1
8624 B 70.36100 70.000 77.075 1.0000 0.0000 1.42857E-02 0.7002 0 1
8625 B 70.36800 73.000 77.062 1.0000 0.0000 1.36986E-02 0.6997 0 1
8626 B 70.37500 78.000 77.048 1.0000 0.0000 1.28205E-02 0.7002 0 1
8627 B 70.38200 72.000 77.035 1.0000 0.0000 1.38889E-02 0.6997 0 1
8628 B 70.38900 60.000 77.021 1.0000 0.0000 1.66667E-02 0.7002 0 1
8629 B 70.39600 73.000 77.008 1.0000 0.0000 1.36986E-02 0.7002 0 1
8630 B 70.40300 59.000 76.994 1.0000 0.0000 1.69492E-02 0.6997 0 1
8631 B 70.41000 62.000 76.980 1.0000 0.0000 1.61290E-02 0.7002 0 1
8632 B 70.41700 65.000 76.967 1.0000 0.0000 1.53846E-02 0.6997 0 1
8633 B 70.42400 68.000 76.953 1.0000 0.0000 1.47059E-02 0.7002 0 1
8634 B 70.43100 53.000 76.940 1.0000 0.0000 1.88679E-02 0.7002 0 1
8635 B 70.43800 63.000 76.926 1.0000 0.0000 1.58730E-02 0.6997 0 1
8636 B 70.44500 80.000 76.913 1.0000 0.0000 1.25000E-02 0.7002 0 1
8637 B 70.45200 66.000 76.899 1.0000 0.0000 1.51515E-02 0.6997 0 1
8638 B 70.45900 55.000 76.886 1.0000 0.0000 1.81818E-02 0.7002 0 1
8639 B 70.46600 56.000 76.872 1.0000 0.0000 1.78571E-02 0.7002 0 1
8640 B 70.47300 53.000 76.859 1.0000 0.0000 1.88679E-02 0.6997 0 1
8641 B 70.48000 50.000 76.845 1.0000 0.0000 2.00000E-02 0.7002 0 1
8642 B 70.48700 52.000 76.832 1.0000 0.0000 1.92308E-02 0.6997 0 1
8643 B 70.49400 69.000 76.818 1.0000 0.0000 1.44928E-02 0.7002 0 1
8644 B 70.50100 75.000 76.805 1.0000 0.0000 1.33333E-02 0.7002 0 1
8645 B 70.50800 71.000 76.791 1.0000 0.0000 1.40845E-02 0.6997 0 1
8646 B 70.51500 64.000 76.778 1.0000 0.0000 1.56250E-02 0.7002 0 1
8647 B 70.52200 63.000 76.764 1.0000 0.0000 1.58730E-02 0.6997 0 1
8648 B 70.52900 75.000 76.751 1.0000 0.0000 1.33333E-02 0.7002 0 1
8649 B 70.53600 60.000 76.738 1.0000 0.0000 1.66667E-02 0.7002 0 1
8650 B 70.54300 60.000 76.724 1.0000 0.0000 1.66667E-02 0.6997 0 1
8651 B 70.55000 60.000 76.711 1.0000 0.0000 1.66667E-02 0.7002 0 1
8652 B 70.55700 58.000 76.697 1.0000 0.0000 1.72414E-02 0.6997 0 1
8653 B 70.56400 65.000 76.684 1.0000 0.0000 1.53846E-02 0.7002 0 1
8654 B 70.57100 72.000 76.670 1.0000 0.0000 1.38889E-02 0.7002 0 1
8655 B 70.57800 74.000 76.657 1.0000 0.0000 1.35135E-02 0.6997 0 1
8656 B 70.58500 67.000 76.643 1.0000 0.0000 1.49254E-02 0.7002 0 1
8657 B 70.59200 72.000 76.630 1.0000 0.0000 1.38889E-02 0.6997 0 1
8658 B 70.59900 77.000 76.616 1.0000 0.0000 1.29870E-02 0.7002 0 1
8659 . 70.60600 57.000 76.707 1.0000 0.0000 1.75439E-02 0.7002 37 1
8660 . 70.61300 63.000 76.700 1.0000 0.0000 1.58730E-02 0.6997 37 1
8661 . 70.62000 63.000 76.693 1.0000 0.0000 1.58730E-02 0.7002 37 1
8662 . 70.62700 74.000 76.686 1.0000 0.0000 1.35135E-02 0.6997 37 1
8663 . 70.63400 68.000 76.681 1.0000 0.0000 1.47059E-02 0.7002 37 1
8664 . 70.64100 72.000 76.676 1.0000 0.0000 1.38889E-02 0.7002 37 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 154
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8665 . 70.64799 71.000 76.672 1.0000 0.0000 1.40845E-02 0.6997 37 1
8666 . 70.65500 53.000 76.669 1.0000 0.0000 1.88679E-02 0.7002 37 1
8667 . 70.66200 54.000 76.666 1.0000 0.0000 1.85185E-02 0.6997 37 1
8668 . 70.66900 61.000 76.666 1.0000 0.0000 1.63934E-02 0.7002 37 1
8669 . 70.67600 61.000 76.666 1.0000 0.0000 1.63934E-02 0.7002 37 1
8670 . 70.68300 57.000 76.669 1.0000 0.0000 1.75439E-02 0.6997 37 1
8671 . 70.69000 61.000 76.673 1.0000 0.0000 1.63934E-02 0.7002 37 1
8672 . 70.69700 70.000 76.679 1.0000 0.0000 1.42857E-02 0.6997 37 1
8673 . 70.70400 59.000 76.688 1.0000 0.0000 1.69492E-02 0.7002 37 1
8674 . 70.71100 65.000 76.701 1.0000 0.0000 1.53846E-02 0.7002 37 1
8675 . 70.71799 59.000 76.717 1.0000 0.0000 1.69492E-02 0.6997 37 1
8676 . 70.72500 72.000 76.737 1.0000 0.0000 1.38889E-02 0.7002 37 1
8677 . 70.73200 46.000 76.763 1.0000 0.0000 2.17391E-02 0.6997 37 1
8678 . 70.73900 70.000 76.796 1.0000 0.0000 1.42857E-02 0.7002 37 1
8679 . 70.74600 68.000 76.837 1.0000 0.0000 1.47059E-02 0.7002 37 1
8680 . 70.75300 84.000 76.892 1.0000 0.0000 1.19048E-02 0.6997 37 1
8681 . 70.76000 63.000 76.965 1.0000 0.0000 1.58730E-02 0.7002 37 1
8682 . 70.76700 58.000 77.069 1.0000 0.0000 1.72414E-02 0.6997 37 1
8683 . 70.77400 65.000 77.227 1.0000 0.0000 1.53846E-02 0.7002 37 1
8684 . 70.78100 64.000 77.479 1.0000 0.0000 1.56250E-02 0.7002 37 1
8685 . 70.78799 65.000 77.892 1.0000 0.0000 1.53846E-02 0.6997 37 1
8686 . 70.79500 67.000 78.564 1.0000 0.0000 1.49254E-02 0.7002 37 1
8687 . 70.80200 55.000 79.671 1.0000 0.0000 1.81818E-02 0.6997 37 2
8688 . 70.80900 54.000 81.252 1.0000 0.0000 1.85185E-02 0.7002 37 2
8689 . 70.81600 70.000 83.462 1.0000 0.0000 1.42857E-02 0.7002 37 2
8690 . 70.82300 67.000 86.322 1.0000 0.0000 1.49254E-02 0.6997 37 2
8691 . 70.83000 69.000 89.721 1.0000 0.0000 1.44928E-02 0.7002 37 2
8692 . 70.83701 44.000 93.353 1.0000 0.0000 2.27273E-02 0.6997 37 2
8693 . 70.84400 67.000 96.708 1.0000 0.0000 1.49254E-02 0.7002 37 2
8694 .1 70.85100 70.000 99.107 1.0000 0.0000 1.42857E-02 0.7002 37 2
8695 . 70.85800 65.000 99.883 1.0000 0.0000 1.53846E-02 0.6997 37 2
8696 . 70.86500 57.000 98.782 1.0000 0.0000 1.75439E-02 0.7002 37 2
8697 . 70.87200 67.000 96.154 1.0000 0.0000 1.49254E-02 0.6997 37 2
8698 . 70.87900 63.000 92.693 1.0000 0.0000 1.58730E-02 0.7002 37 2
8699 . 70.88600 64.000 89.055 1.0000 0.0000 1.56250E-02 0.7002 37 2
8700 . 70.89300 61.000 85.720 1.0000 0.0000 1.63934E-02 0.6997 37 2
8701 . 70.90000 56.000 82.951 1.0000 0.0000 1.78571E-02 0.7002 37 2
8702 . 70.90701 61.000 80.840 1.0000 0.0000 1.63934E-02 0.6997 37 2
8703 . 70.91400 56.000 79.346 1.0000 0.0000 1.78571E-02 0.7002 37 2
8704 . 70.92100 61.000 78.352 1.0000 0.0000 1.63934E-02 0.7002 37 2
8705 . 70.92800 57.000 77.723 1.0000 0.0000 1.75439E-02 0.6997 37 2
8706 . 70.93500 65.000 77.337 1.0000 0.0000 1.53846E-02 0.7002 37 2
8707 . 70.94200 67.000 77.102 1.0000 0.0000 1.49254E-02 0.6997 37 2
8708 . 70.94900 57.000 76.957 1.0000 0.0000 1.75439E-02 0.7002 37 2
8709 . 70.95600 64.000 76.869 1.0000 0.0000 1.56250E-02 0.7002 37 2
8710 . 70.96300 79.000 76.819 1.0000 0.0000 1.26582E-02 0.6997 37 2
8711 . 70.97000 73.000 76.805 1.0000 0.0000 1.36986E-02 0.7002 37 2
8712 . 70.97701 60.000 76.833 1.0000 0.0000 1.66667E-02 0.6997 37 2
8713 . 70.98400 68.000 76.924 1.0000 0.0000 1.47059E-02 0.7002 37 2
8714 . 70.99100 69.000 77.113 1.0000 0.0000 1.44928E-02 0.7002 37 2
8715 . 70.99800 62.000 77.450 1.0000 0.0000 1.61290E-02 0.6997 37 2
8716 . 71.00500 56.000 78.000 1.0000 0.0000 1.78571E-02 0.7002 37 2
8717 . 71.01200 61.000 78.829 1.0000 0.0000 1.63934E-02 0.6997 37 2
8718 . 71.01900 62.000 79.980 1.0000 0.0000 1.61290E-02 0.7002 37 2
8719 . 71.02600 71.000 81.451 1.0000 0.0000 1.40845E-02 0.7002 37 2
8720 . 71.03300 55.000 83.159 1.0000 0.0000 1.81818E-02 0.6997 37 2
8721 . 71.04000 66.000 84.932 1.0000 0.0000 1.51515E-02 0.7002 37 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 155
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8722 . 71.04700 61.000 86.489 1.0000 0.0000 1.63934E-02 0.6997 37 2
8723 .1 71.05400 72.000 87.479 1.0000 0.0000 1.38889E-02 0.7002 37 2
8724 . 71.06100 59.000 87.606 1.0000 0.0000 1.69492E-02 0.7002 37 2
8725 . 71.06800 59.000 86.821 1.0000 0.0000 1.69492E-02 0.6997 37 2
8726 . 71.07500 65.000 85.357 1.0000 0.0000 1.53846E-02 0.7002 37 2
8727 . 71.08200 54.000 83.569 1.0000 0.0000 1.85185E-02 0.6997 37 2
8728 . 71.08900 63.000 81.765 1.0000 0.0000 1.58730E-02 0.7002 37 2
8729 . 71.09600 77.000 80.153 1.0000 0.0000 1.29870E-02 0.7002 37 2
8730 . 71.10300 67.000 78.842 1.0000 0.0000 1.49254E-02 0.6997 37 2
8731 . 71.11000 59.000 77.753 1.0000 0.0000 1.69492E-02 0.7002 38 1
8732 . 71.11700 61.000 77.066 1.0000 0.0000 1.63934E-02 0.6997 38 1
8733 . 71.12400 63.000 76.610 1.0000 0.0000 1.58730E-02 0.7002 38 1
8734 . 71.13100 64.000 76.317 1.0000 0.0000 1.56250E-02 0.7002 38 1
8735 . 71.13800 70.000 76.130 1.0000 0.0000 1.42857E-02 0.6997 38 1
8736 . 71.14500 58.000 76.008 1.0000 0.0000 1.72414E-02 0.7002 38 1
8737 . 71.15200 67.000 75.922 1.0000 0.0000 1.49254E-02 0.6997 38 1
8738 . 71.15900 55.000 75.858 1.0000 0.0000 1.81818E-02 0.7002 38 1
8739 . 71.16600 64.000 75.807 1.0000 0.0000 1.56250E-02 0.7002 38 1
8740 . 71.17300 82.000 75.763 1.0000 0.0000 1.21951E-02 0.6997 38 1
8741 . 71.18000 70.000 75.724 1.0000 0.0000 1.42857E-02 0.7002 38 1
8742 . 71.18700 61.000 75.689 1.0000 0.0000 1.63934E-02 0.6997 38 1
8743 . 71.19400 54.000 75.658 1.0000 0.0000 1.85185E-02 0.7002 38 1
8744 . 71.20100 65.000 75.629 1.0000 0.0000 1.53846E-02 0.7002 38 1
8745 . 71.20800 63.000 75.602 1.0000 0.0000 1.58730E-02 0.6997 38 1
8746 . 71.21500 61.000 75.577 1.0000 0.0000 1.63934E-02 0.7002 38 1
8747 . 71.22200 63.000 75.553 1.0000 0.0000 1.58730E-02 0.6997 38 1
8748 . 71.22900 72.000 75.530 1.0000 0.0000 1.38889E-02 0.7002 38 1
8749 . 71.23600 73.000 75.509 1.0000 0.0000 1.36986E-02 0.7002 38 1
8750 . 71.24300 60.000 75.488 1.0000 0.0000 1.66667E-02 0.6997 38 1
8751 . 71.25000 57.000 75.468 1.0000 0.0000 1.75439E-02 0.7002 38 1
8752 . 71.25700 62.000 75.449 1.0000 0.0000 1.61290E-02 0.6997 38 1
8753 . 71.26400 59.000 75.431 1.0000 0.0000 1.69492E-02 0.7002 38 1
8754 . 71.27100 87.000 75.413 1.0000 0.0000 1.14943E-02 0.7002 38 1
8755 . 71.27800 65.000 75.395 1.0000 0.0000 1.53846E-02 0.6997 38 1
8756 . 71.28500 67.000 75.378 1.0000 0.0000 1.49254E-02 0.7002 38 1
8757 . 71.29200 61.000 75.361 1.0000 0.0000 1.63934E-02 0.6997 38 1
8758 . 71.29900 72.000 75.344 1.0000 0.0000 1.38889E-02 0.7002 38 1
8759 . 71.30600 67.000 75.328 1.0000 0.0000 1.49254E-02 0.7002 38 1
8760 B 71.31300 74.000 75.261 1.0000 0.0000 1.35135E-02 0.6997 0 1
8761 B 71.32000 76.000 75.248 1.0000 0.0000 1.31579E-02 0.7002 0 1
8762 B 71.32700 70.000 75.235 1.0000 0.0000 1.42857E-02 0.6997 0 1
8763 B 71.33400 75.000 75.222 1.0000 0.0000 1.33333E-02 0.7002 0 1
8764 B 71.34100 79.000 75.209 1.0000 0.0000 1.26582E-02 0.7002 0 1
8765 B 71.34800 85.000 75.196 1.0000 0.0000 1.17647E-02 0.6997 0 1
8766 B 71.35500 71.000 75.183 1.0000 0.0000 1.40845E-02 0.7002 0 1
8767 B 71.36200 69.000 75.170 1.0000 0.0000 1.44928E-02 0.6997 0 1
8768 B 71.36900 61.000 75.156 1.0000 0.0000 1.63934E-02 0.7002 0 1
8769 B 71.37600 78.000 75.143 1.0000 0.0000 1.28205E-02 0.7002 0 1
8770 B 71.38300 67.000 75.130 1.0000 0.0000 1.49254E-02 0.6997 0 1
8771 B 71.39000 64.000 75.117 1.0000 0.0000 1.56250E-02 0.7002 0 1
8772 B 71.39700 61.000 75.104 1.0000 0.0000 1.63934E-02 0.6997 0 1
8773 B 71.40400 66.000 75.091 1.0000 0.0000 1.51515E-02 0.7002 0 1
8774 B 71.41100 67.000 75.078 1.0000 0.0000 1.49254E-02 0.7002 0 1
8775 B 71.41800 70.000 75.065 1.0000 0.0000 1.42857E-02 0.6997 0 1
8776 B 71.42500 80.000 75.052 1.0000 0.0000 1.25000E-02 0.7002 0 1
8777 B 71.43200 78.000 75.039 1.0000 0.0000 1.28205E-02 0.6997 0 1
8778 B 71.43900 72.000 75.026 1.0000 0.0000 1.38889E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 156
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8779 B 71.44600 86.000 75.012 1.0000 0.0000 1.16279E-02 0.7002 0 1
8780 B 71.45300 87.000 74.999 1.0000 0.0000 1.14943E-02 0.6997 0 1
8781 B 71.46000 71.000 74.986 1.0000 0.0000 1.40845E-02 0.7002 0 1
8782 B 71.46700 61.000 74.973 1.0000 0.0000 1.63934E-02 0.6997 0 1
8783 B 71.47400 63.000 74.960 1.0000 0.0000 1.58730E-02 0.7002 0 1
8784 B 71.48100 58.000 74.947 1.0000 0.0000 1.72414E-02 0.7002 0 1
8785 B 71.48800 82.000 74.934 1.0000 0.0000 1.21951E-02 0.6997 0 1
8786 B 71.49500 82.000 74.921 1.0000 0.0000 1.21951E-02 0.7002 0 1
8787 B 71.50200 79.000 74.908 1.0000 0.0000 1.26582E-02 0.6997 0 1
8788 B 71.50900 69.000 74.895 1.0000 0.0000 1.44928E-02 0.7002 0 1
8789 B 71.51600 75.000 74.882 1.0000 0.0000 1.33333E-02 0.7002 0 1
8790 B 71.52299 78.000 74.869 1.0000 0.0000 1.28205E-02 0.6997 0 1
8791 B 71.53000 80.000 74.856 1.0000 0.0000 1.25000E-02 0.7002 0 1
8792 B 71.53700 79.000 74.843 1.0000 0.0000 1.26582E-02 0.6997 0 1
8793 B 71.54400 78.000 74.830 1.0000 0.0000 1.28205E-02 0.7002 0 1
8794 B 71.55100 82.000 74.817 1.0000 0.0000 1.21951E-02 0.7002 0 1
8795 B 71.55800 80.000 74.804 1.0000 0.0000 1.25000E-02 0.6997 0 1
8796 B 71.56500 85.000 74.791 1.0000 0.0000 1.17647E-02 0.7002 0 1
8797 B 71.57200 75.000 74.778 1.0000 0.0000 1.33333E-02 0.6997 0 1
8798 B 71.57900 83.000 74.765 1.0000 0.0000 1.20482E-02 0.7002 0 1
8799 B 71.58600 54.000 74.752 1.0000 0.0000 1.85185E-02 0.7002 0 1
8800 B 71.59299 77.000 74.739 1.0000 0.0000 1.29870E-02 0.6997 0 1
8801 B 71.60000 99.000 74.726 1.0000 0.0000 1.01010E-02 0.7002 0 1
8802 B 71.60700 83.000 74.713 1.0000 0.0000 1.20482E-02 0.6997 0 1
8803 B 71.61400 76.000 74.700 1.0000 0.0000 1.31579E-02 0.7002 0 1
8804 B 71.62100 83.000 74.687 1.0000 0.0000 1.20482E-02 0.7002 0 1
8805 B 71.62800 85.000 74.674 1.0000 0.0000 1.17647E-02 0.6997 0 1
8806 B 71.63500 77.000 74.661 1.0000 0.0000 1.29870E-02 0.7002 0 1
8807 B 71.64200 76.000 74.648 1.0000 0.0000 1.31579E-02 0.6997 0 1
8808 B 71.64900 76.000 74.635 1.0000 0.0000 1.31579E-02 0.7002 0 1
8809 B 71.65600 78.000 74.622 1.0000 0.0000 1.28205E-02 0.7002 0 1
8810 B 71.66299 81.000 74.609 1.0000 0.0000 1.23457E-02 0.6997 0 1
8811 B 71.67000 79.000 74.596 1.0000 0.0000 1.26582E-02 0.7002 0 1
8812 B 71.67700 87.000 74.583 1.0000 0.0000 1.14943E-02 0.6997 0 1
8813 B 71.68400 82.000 74.570 1.0000 0.0000 1.21951E-02 0.7002 0 1
8814 B 71.69100 72.000 74.557 1.0000 0.0000 1.38889E-02 0.7002 0 1
8815 B 71.69800 96.000 74.544 1.0000 0.0000 1.04167E-02 0.6997 0 1
8816 B 71.70500 93.000 74.531 1.0000 0.0000 1.07527E-02 0.7002 0 1
8817 B 71.71201 87.000 74.518 1.0000 0.0000 1.14943E-02 0.6997 0 1
8818 B 71.71900 93.000 74.505 1.0000 0.0000 1.07527E-02 0.7002 0 1
8819 B 71.72600 84.000 74.492 1.0000 0.0000 1.19048E-02 0.7002 0 1
8820 B 71.73300 80.000 74.479 1.0000 0.0000 1.25000E-02 0.6997 0 1
8821 B 71.74000 65.000 74.466 1.0000 0.0000 1.53846E-02 0.7002 0 1
8822 B 71.74700 76.000 74.453 1.0000 0.0000 1.31579E-02 0.6997 0 1
8823 B 71.75400 73.000 74.440 1.0000 0.0000 1.36986E-02 0.7002 0 1
8824 B 71.76100 78.000 74.427 1.0000 0.0000 1.28205E-02 0.7002 0 1
8825 B 71.76800 90.000 74.415 1.0000 0.0000 1.11111E-02 0.6997 0 1
8826 B 71.77500 91.000 74.402 1.0000 0.0000 1.09890E-02 0.7002 0 1
8827 B 71.78201 83.000 74.389 1.0000 0.0000 1.20482E-02 0.6997 0 1
8828 B 71.78900 86.000 74.376 1.0000 0.0000 1.16279E-02 0.7002 0 1
8829 B 71.79600 92.000 74.363 1.0000 0.0000 1.08696E-02 0.7002 0 1
8830 B 71.80300 87.000 74.350 1.0000 0.0000 1.14943E-02 0.6997 0 1
8831 B 71.81000 94.000 74.337 1.0000 0.0000 1.06383E-02 0.7002 0 1
8832 B 71.81700 99.000 74.324 1.0000 0.0000 1.01010E-02 0.6997 0 1
8833 B 71.82400 91.000 74.311 1.0000 0.0000 1.09890E-02 0.7002 0 1
8834 B 71.83100 87.000 74.298 1.0000 0.0000 1.14943E-02 0.7002 0 1
8835 B 71.83800 85.000 74.285 1.0000 0.0000 1.17647E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 157
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8836 B 71.84500 86.000 74.272 1.0000 0.0000 1.16279E-02 0.7002 0 1
8837 B 71.85201 85.000 74.260 1.0000 0.0000 1.17647E-02 0.6997 0 1
8838 B 71.85900 91.000 74.247 1.0000 0.0000 1.09890E-02 0.7002 0 1
8839 B 71.86600 93.000 74.234 1.0000 0.0000 1.07527E-02 0.7002 0 1
8840 B 71.87300 84.000 74.221 1.0000 0.0000 1.19048E-02 0.6997 0 1
8841 B 71.88000 86.000 74.208 1.0000 0.0000 1.16279E-02 0.7002 0 1
8842 B 71.88700 79.000 74.195 1.0000 0.0000 1.26582E-02 0.6997 0 1
8843 B 71.89400 96.000 74.182 1.0000 0.0000 1.04167E-02 0.7002 0 1
8844 B 71.90100 89.000 74.169 1.0000 0.0000 1.12360E-02 0.7002 0 1
8845 B 71.90800 80.000 74.157 1.0000 0.0000 1.25000E-02 0.6997 0 1
8846 B 71.91500 80.000 74.144 1.0000 0.0000 1.25000E-02 0.7002 0 1
8847 B 71.92200 84.000 74.131 1.0000 0.0000 1.19048E-02 0.6997 0 1
8848 B 71.92900 88.000 74.118 1.0000 0.0000 1.13636E-02 0.7002 0 1
8849 B 71.93600 98.000 74.105 1.0000 0.0000 1.02041E-02 0.7002 0 1
8850 B 71.94300 91.000 74.092 1.0000 0.0000 1.09890E-02 0.6997 0 1
8851 B 71.95000 76.000 74.079 1.0000 0.0000 1.31579E-02 0.7002 0 1
8852 B 71.95700 87.000 74.067 1.0000 0.0000 1.14943E-02 0.6997 0 1
8853 B 71.96400 101.00 74.054 1.0000 0.0000 9.90099E-03 0.7002 0 1
8854 B 71.97100 92.000 74.041 1.0000 0.0000 1.08696E-02 0.7002 0 1
8855 B 71.97800 85.000 74.028 1.0000 0.0000 1.17647E-02 0.6997 0 1
8856 B 71.98500 87.000 74.015 1.0000 0.0000 1.14943E-02 0.7002 0 1
8857 B 71.99200 91.000 74.002 1.0000 0.0000 1.09890E-02 0.6997 0 1
8858 B 71.99900 98.000 73.990 1.0000 0.0000 1.02041E-02 0.7002 0 1
8859 B 72.00600 101.00 73.977 1.0000 0.0000 9.90099E-03 0.7002 0 1
8860 B 72.01300 85.000 73.964 1.0000 0.0000 1.17647E-02 0.6997 0 1
8861 B 72.02000 91.000 73.951 1.0000 0.0000 1.09890E-02 0.7002 0 1
8862 B 72.02700 96.000 73.938 1.0000 0.0000 1.04167E-02 0.6997 0 1
8863 B 72.03400 82.000 73.925 1.0000 0.0000 1.21951E-02 0.7002 0 1
8864 B 72.04100 93.000 73.913 1.0000 0.0000 1.07527E-02 0.7002 0 1
8865 B 72.04800 94.000 73.900 1.0000 0.0000 1.06383E-02 0.6997 0 1
8866 B 72.05500 86.000 73.887 1.0000 0.0000 1.16279E-02 0.7002 0 1
8867 B 72.06200 96.000 73.874 1.0000 0.0000 1.04167E-02 0.6997 0 1
8868 B 72.06900 101.00 73.861 1.0000 0.0000 9.90099E-03 0.7002 0 1
8869 B 72.07600 101.00 73.849 1.0000 0.0000 9.90099E-03 0.7002 0 1
8870 B 72.08300 91.000 73.836 1.0000 0.0000 1.09890E-02 0.6997 0 1
8871 B 72.09000 93.000 73.823 1.0000 0.0000 1.07527E-02 0.7002 0 1
8872 B 72.09700 100.00 73.810 1.0000 0.0000 1.00000E-02 0.6997 0 1
8873 B 72.10400 84.000 73.798 1.0000 0.0000 1.19048E-02 0.7002 0 1
8874 B 72.11100 113.00 73.785 1.0000 0.0000 8.84956E-03 0.7002 0 1
8875 B 72.11800 97.000 73.772 1.0000 0.0000 1.03093E-02 0.6997 0 1
8876 B 72.12500 99.000 73.759 1.0000 0.0000 1.01010E-02 0.7002 0 1
8877 B 72.13200 111.00 73.746 1.0000 0.0000 9.00901E-03 0.6997 0 1
8878 B 72.13900 89.000 73.734 1.0000 0.0000 1.12360E-02 0.7002 0 1
8879 B 72.14600 96.000 73.721 1.0000 0.0000 1.04167E-02 0.7002 0 1
8880 B 72.15300 98.000 73.708 1.0000 0.0000 1.02041E-02 0.6997 0 1
8881 B 72.16000 98.000 73.695 1.0000 0.0000 1.02041E-02 0.7002 0 1
8882 B 72.16700 116.00 73.683 1.0000 0.0000 8.62069E-03 0.6997 0 1
8883 B 72.17400 106.00 73.670 1.0000 0.0000 9.43396E-03 0.7002 0 1
8884 B 72.18100 94.000 73.657 1.0000 0.0000 1.06383E-02 0.7002 0 1
8885 B 72.18800 101.00 73.644 1.0000 0.0000 9.90099E-03 0.6997 0 1
8886 B 72.19500 98.000 73.632 1.0000 0.0000 1.02041E-02 0.7002 0 1
8887 B 72.20200 91.000 73.619 1.0000 0.0000 1.09890E-02 0.6997 0 1
8888 B 72.20900 113.00 73.606 1.0000 0.0000 8.84956E-03 0.7002 0 1
8889 B 72.21600 106.00 73.593 1.0000 0.0000 9.43396E-03 0.7002 0 1
8890 B 72.22300 84.000 73.581 1.0000 0.0000 1.19048E-02 0.6997 0 1
8891 B 72.23000 98.000 73.568 1.0000 0.0000 1.02041E-02 0.7002 0 1
8892 B 72.23700 103.00 73.555 1.0000 0.0000 9.70874E-03 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 158
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8893 B 72.24400 102.00 73.543 1.0000 0.0000 9.80392E-03 0.7002 0 1
8894 B 72.25100 114.00 73.530 1.0000 0.0000 8.77193E-03 0.7002 0 1
8895 B 72.25800 106.00 73.517 1.0000 0.0000 9.43396E-03 0.6997 0 1
8896 B 72.26500 99.000 73.504 1.0000 0.0000 1.01010E-02 0.7002 0 1
8897 B 72.27200 105.00 73.492 1.0000 0.0000 9.52381E-03 0.6997 0 1
8898 B 72.27900 109.00 73.479 1.0000 0.0000 9.17431E-03 0.7002 0 1
8899 B 72.28600 119.00 73.466 1.0000 0.0000 8.40336E-03 0.7002 0 1
8900 B 72.29300 121.00 73.454 1.0000 0.0000 8.26446E-03 0.6997 0 1
8901 B 72.30000 111.00 73.441 1.0000 0.0000 9.00901E-03 0.7002 0 1
8902 B 72.30700 117.00 73.428 1.0000 0.0000 8.54701E-03 0.6997 0 1
8903 B 72.31400 94.000 73.415 1.0000 0.0000 1.06383E-02 0.7002 0 1
8904 B 72.32100 108.00 73.403 1.0000 0.0000 9.25926E-03 0.7002 0 1
8905 B 72.32800 117.00 73.390 1.0000 0.0000 8.54701E-03 0.6997 0 1
8906 B 72.33500 100.00 73.377 1.0000 0.0000 1.00000E-02 0.7002 0 1
8907 B 72.34200 98.000 73.365 1.0000 0.0000 1.02041E-02 0.6997 0 1
8908 B 72.34900 131.00 73.352 1.0000 0.0000 7.63359E-03 0.7002 0 1
8909 B 72.35600 109.00 73.339 1.0000 0.0000 9.17431E-03 0.7002 0 1
8910 B 72.36300 110.00 73.327 1.0000 0.0000 9.09091E-03 0.6997 0 1
8911 B 72.37000 111.00 73.314 1.0000 0.0000 9.00901E-03 0.7002 0 1
8912 B 72.37700 98.000 73.301 1.0000 0.0000 1.02041E-02 0.6997 0 1
8913 B 72.38400 99.000 73.289 1.0000 0.0000 1.01010E-02 0.7002 0 1
8914 B 72.39100 115.00 73.276 1.0000 0.0000 8.69565E-03 0.7002 0 1
8915 B 72.39799 116.00 73.263 1.0000 0.0000 8.62069E-03 0.6997 0 1
8916 B 72.40500 103.00 73.251 1.0000 0.0000 9.70874E-03 0.7002 0 1
8917 B 72.41200 115.00 73.238 1.0000 0.0000 8.69565E-03 0.6997 0 1
8918 B 72.41900 129.00 73.225 1.0000 0.0000 7.75194E-03 0.7002 0 1
8919 B 72.42600 118.00 73.213 1.0000 0.0000 8.47458E-03 0.7002 0 1
8920 B 72.43300 109.00 73.200 1.0000 0.0000 9.17431E-03 0.6997 0 1
8921 B 72.44000 96.000 73.188 1.0000 0.0000 1.04167E-02 0.7002 0 1
8922 B 72.44700 117.00 73.175 1.0000 0.0000 8.54701E-03 0.6997 0 1
8923 B 72.45400 123.00 73.162 1.0000 0.0000 8.13008E-03 0.7002 0 1
8924 B 72.46100 104.00 73.150 1.0000 0.0000 9.61538E-03 0.7002 0 1
8925 B 72.46799 105.00 73.137 1.0000 0.0000 9.52381E-03 0.6997 0 1
8926 B 72.47500 107.00 73.124 1.0000 0.0000 9.34579E-03 0.7002 0 1
8927 B 72.48200 120.00 73.112 1.0000 0.0000 8.33333E-03 0.6997 0 1
8928 B 72.48900 112.00 73.099 1.0000 0.0000 8.92857E-03 0.7002 0 1
8929 B 72.49600 120.00 73.087 1.0000 0.0000 8.33333E-03 0.7002 0 1
8930 B 72.50300 118.00 73.074 1.0000 0.0000 8.47458E-03 0.6997 0 1
8931 B 72.51000 110.00 73.061 1.0000 0.0000 9.09091E-03 0.7002 0 1
8932 B 72.51700 126.00 73.049 1.0000 0.0000 7.93651E-03 0.6997 0 1
8933 B 72.52400 124.00 73.036 1.0000 0.0000 8.06452E-03 0.7002 0 1
8934 B 72.53100 118.00 73.024 1.0000 0.0000 8.47458E-03 0.7002 0 1
8935 B 72.53799 101.00 73.011 1.0000 0.0000 9.90099E-03 0.6997 0 1
8936 B 72.54500 101.00 72.998 1.0000 0.0000 9.90099E-03 0.7002 0 1
8937 B 72.55200 112.00 72.986 1.0000 0.0000 8.92857E-03 0.6997 0 1
8938 B 72.55900 128.00 72.973 1.0000 0.0000 7.81250E-03 0.7002 0 1
8939 B 72.56600 120.00 72.961 1.0000 0.0000 8.33333E-03 0.7002 0 1
8940 B 72.57300 122.00 72.948 1.0000 0.0000 8.19672E-03 0.6997 0 1
8941 B 72.58000 115.00 72.936 1.0000 0.0000 8.69565E-03 0.7002 0 1
8942 B 72.58701 126.00 72.923 1.0000 0.0000 7.93651E-03 0.6997 0 1
8943 B 72.59400 127.00 72.910 1.0000 0.0000 7.87402E-03 0.7002 0 1
8944 B 72.60100 136.00 72.898 1.0000 0.0000 7.35294E-03 0.7002 0 1
8945 B 72.60800 125.00 72.885 1.0000 0.0000 8.00000E-03 0.6997 0 1
8946 B 72.61500 104.00 72.873 1.0000 0.0000 9.61538E-03 0.7002 0 1
8947 B 72.62200 113.00 72.860 1.0000 0.0000 8.84956E-03 0.6997 0 1
8948 B 72.62900 108.00 72.848 1.0000 0.0000 9.25926E-03 0.7002 0 1
8949 B 72.63600 108.00 72.835 1.0000 0.0000 9.25926E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 159
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
8950 B 72.64300 126.00 72.823 1.0000 0.0000 7.93651E-03 0.6997 0 1
8951 B 72.65000 130.00 72.810 1.0000 0.0000 7.69231E-03 0.7002 0 1
8952 B 72.65701 119.00 72.797 1.0000 0.0000 8.40336E-03 0.6997 0 1
8953 B 72.66400 139.00 72.785 1.0000 0.0000 7.19424E-03 0.7002 0 1
8954 B 72.67100 107.00 72.772 1.0000 0.0000 9.34579E-03 0.7002 0 1
8955 B 72.67800 143.00 72.760 1.0000 0.0000 6.99301E-03 0.6997 0 1
8956 B 72.68500 113.00 72.747 1.0000 0.0000 8.84956E-03 0.7002 0 1
8957 B 72.69200 123.00 72.735 1.0000 0.0000 8.13008E-03 0.6997 0 1
8958 B 72.69900 132.00 72.722 1.0000 0.0000 7.57576E-03 0.7002 0 1
8959 B 72.70600 114.00 72.710 1.0000 0.0000 8.77193E-03 0.7002 0 1
8960 B 72.71300 120.00 72.697 1.0000 0.0000 8.33333E-03 0.6997 0 1
8961 B 72.72000 120.00 72.685 1.0000 0.0000 8.33333E-03 0.7002 0 1
8962 B 72.72701 114.00 72.672 1.0000 0.0000 8.77193E-03 0.6997 0 1
8963 B 72.73400 119.00 72.660 1.0000 0.0000 8.40336E-03 0.7002 0 1
8964 B 72.74100 132.00 72.647 1.0000 0.0000 7.57576E-03 0.7002 0 1
8965 B 72.74800 123.00 72.635 1.0000 0.0000 8.13008E-03 0.6997 0 1
8966 B 72.75500 111.00 72.622 1.0000 0.0000 9.00901E-03 0.7002 0 1
8967 B 72.76200 125.00 72.610 1.0000 0.0000 8.00000E-03 0.6997 0 1
8968 B 72.76900 123.00 72.597 1.0000 0.0000 8.13008E-03 0.7002 0 1
8969 B 72.77600 118.00 72.585 1.0000 0.0000 8.47458E-03 0.7002 0 1
8970 B 72.78300 110.00 72.572 1.0000 0.0000 9.09091E-03 0.6997 0 1
8971 B 72.79000 126.00 72.560 1.0000 0.0000 7.93651E-03 0.7002 0 1
8972 B 72.79700 132.00 72.547 1.0000 0.0000 7.57576E-03 0.6997 0 1
8973 B 72.80400 133.00 72.535 1.0000 0.0000 7.51880E-03 0.7002 0 1
8974 B 72.81100 133.00 72.522 1.0000 0.0000 7.51880E-03 0.7002 0 1
8975 B 72.81800 117.00 72.510 1.0000 0.0000 8.54701E-03 0.6997 0 1
8976 B 72.82500 114.00 72.497 1.0000 0.0000 8.77193E-03 0.7002 0 1
8977 B 72.83200 112.00 72.485 1.0000 0.0000 8.92857E-03 0.6997 0 1
8978 B 72.83900 120.00 72.473 1.0000 0.0000 8.33333E-03 0.7002 0 1
8979 B 72.84600 132.00 72.460 1.0000 0.0000 7.57576E-03 0.7002 0 1
8980 B 72.85300 134.00 72.448 1.0000 0.0000 7.46269E-03 0.6997 0 1
8981 B 72.86000 121.00 72.435 1.0000 0.0000 8.26446E-03 0.7002 0 1
8982 B 72.86700 131.00 72.423 1.0000 0.0000 7.63359E-03 0.6997 0 1
8983 B 72.87400 136.00 72.410 1.0000 0.0000 7.35294E-03 0.7002 0 1
8984 . 72.88100 97.000 73.019 1.0000 0.0000 1.03093E-02 0.7002 39 1
8985 . 72.88800 133.00 73.042 1.0000 0.0000 7.51880E-03 0.6997 39 1
8986 . 72.89500 140.00 73.068 1.0000 0.0000 7.14286E-03 0.7002 39 1
8987 . 72.90200 102.00 73.097 1.0000 0.0000 9.80392E-03 0.6997 39 1
8988 . 72.90900 114.00 73.130 1.0000 0.0000 8.77193E-03 0.7002 39 1
8989 . 72.91600 119.00 73.168 1.0000 0.0000 8.40336E-03 0.7002 39 1
8990 . 72.92300 111.00 73.210 1.0000 0.0000 9.00901E-03 0.6997 39 1
8991 . 72.93000 113.00 73.259 1.0000 0.0000 8.84956E-03 0.7002 39 1
8992 . 72.93700 115.00 73.313 1.0000 0.0000 8.69565E-03 0.6997 39 1
8993 . 72.94400 105.00 73.375 1.0000 0.0000 9.52381E-03 0.7002 39 1
8994 . 72.95100 106.00 73.445 1.0000 0.0000 9.43396E-03 0.7002 39 1
8995 . 72.95800 121.00 73.524 1.0000 0.0000 8.26446E-03 0.6997 39 1
8996 . 72.96500 113.00 73.615 1.0000 0.0000 8.84956E-03 0.7002 39 1
8997 . 72.97200 137.00 73.719 1.0000 0.0000 7.29927E-03 0.6997 39 1
8998 . 72.97900 138.00 73.838 1.0000 0.0000 7.24638E-03 0.7002 39 1
8999 . 72.98600 134.00 73.976 1.0000 0.0000 7.46269E-03 0.7002 39 1
9000 . 72.99300 121.00 74.134 1.0000 0.0000 8.26446E-03 0.6997 39 1
9001 . 73.00000 111.00 74.319 1.0000 0.0000 9.00901E-03 0.7002 39 1
9002 . 73.00700 141.00 74.535 1.0000 0.0000 7.09220E-03 0.6997 39 1
9003 . 73.01400 126.00 74.790 1.0000 0.0000 7.93651E-03 0.7002 39 1
9004 . 73.02100 115.00 75.095 1.0000 0.0000 8.69565E-03 0.7002 39 1
9005 . 73.02800 134.00 75.469 1.0000 0.0000 7.46269E-03 0.6997 39 1
9006 . 73.03500 133.00 75.946 1.0000 0.0000 7.51880E-03 0.7002 39 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 160
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9007 . 73.04200 130.00 76.590 1.0000 0.0000 7.69231E-03 0.6997 39 1
9008 . 73.04900 119.00 77.518 1.0000 0.0000 8.40336E-03 0.7002 39 1
9009 . 73.05600 111.00 78.943 1.0000 0.0000 9.00901E-03 0.7002 39 1
9010 . 73.06300 109.00 81.215 1.0000 0.0000 9.17431E-03 0.6997 39 1
9011 . 73.07000 126.00 84.860 1.0000 0.0000 7.93651E-03 0.7002 39 1
9012 . 73.07700 115.00 90.576 1.0000 0.0000 8.69565E-03 0.6997 39 1
9013 . 73.08400 107.00 99.133 1.0000 0.0000 9.34579E-03 0.7002 39 1
9014 . 73.09100 105.00 111.52 1.0000 0.0000 9.52381E-03 0.7002 39 2
9015 . 73.09800 104.00 127.39 1.0000 0.0000 9.61538E-03 0.6997 39 2
9016 . 73.10500 122.00 146.60 1.0000 0.0000 8.19672E-03 0.7002 39 2
9017 . 73.11200 123.00 167.65 1.0000 0.0000 8.13008E-03 0.6997 39 2
9018 . 73.11900 114.00 187.92 1.0000 0.0000 8.77193E-03 0.7002 39 2
9019 . 73.12600 119.00 203.67 1.0000 0.0000 8.40336E-03 0.7002 39 2
9020 .1 73.13300 116.00 210.86 1.0000 0.0000 8.62069E-03 0.6997 39 2
9021 . 73.14000 112.00 207.25 1.0000 0.0000 8.92857E-03 0.7002 39 2
9022 . 73.14700 118.00 194.00 1.0000 0.0000 8.47458E-03 0.6997 39 2
9023 . 73.15400 141.00 174.84 1.0000 0.0000 7.09220E-03 0.7002 39 2
9024 . 73.16100 145.00 153.72 1.0000 0.0000 6.89655E-03 0.7002 39 2
9025 . 73.16800 125.00 133.73 1.0000 0.0000 8.00000E-03 0.6997 39 2
9026 . 73.17500 111.00 116.68 1.0000 0.0000 9.00901E-03 0.7002 39 2
9027 . 73.18200 122.00 103.36 1.0000 0.0000 8.19672E-03 0.6997 39 2
9028 . 73.18900 110.00 93.717 1.0000 0.0000 9.09091E-03 0.7002 39 2
9029 . 73.19600 120.00 87.179 1.0000 0.0000 8.33333E-03 0.7002 39 2
9030 . 73.20300 117.00 82.984 1.0000 0.0000 8.54701E-03 0.6997 39 2
9031 . 73.21000 110.00 80.390 1.0000 0.0000 9.09091E-03 0.7002 39 2
9032 . 73.21700 118.00 78.816 1.0000 0.0000 8.47458E-03 0.6997 39 2
9033 . 73.22400 98.000 77.859 1.0000 0.0000 1.02041E-02 0.7002 39 2
9034 . 73.23100 117.00 77.271 1.0000 0.0000 8.54701E-03 0.7002 39 2
9035 . 73.23800 109.00 76.917 1.0000 0.0000 9.17431E-03 0.6997 39 2
9036 . 73.24500 115.00 76.733 1.0000 0.0000 8.69565E-03 0.7002 39 2
9037 . 73.25200 130.00 76.713 1.0000 0.0000 7.69231E-03 0.6997 39 2
9038 . 73.25900 119.00 76.892 1.0000 0.0000 8.40336E-03 0.7002 39 2
9039 . 73.26600 106.00 77.364 1.0000 0.0000 9.43396E-03 0.7002 39 2
9040 . 73.27299 119.00 78.298 1.0000 0.0000 8.40336E-03 0.6997 39 2
9041 . 73.28000 111.00 79.951 1.0000 0.0000 9.00901E-03 0.7002 39 2
9042 . 73.28700 110.00 82.665 1.0000 0.0000 9.09091E-03 0.6997 39 2
9043 . 73.29400 106.00 86.821 1.0000 0.0000 9.43396E-03 0.7002 39 2
9044 . 73.30100 120.00 92.749 1.0000 0.0000 8.33333E-03 0.7002 39 2
9045 . 73.30800 111.00 100.56 1.0000 0.0000 9.00901E-03 0.6997 39 2
9046 . 73.31500 116.00 110.02 1.0000 0.0000 8.62069E-03 0.7002 39 2
9047 . 73.32200 121.00 120.38 1.0000 0.0000 8.26446E-03 0.6997 39 2
9048 . 73.32900 100.00 130.31 1.0000 0.0000 1.00000E-02 0.7002 39 2
9049 . 73.33600 104.00 137.96 1.0000 0.0000 9.61538E-03 0.7002 39 2
9050 .1 73.34299 102.00 141.31 1.0000 0.0000 9.80392E-03 0.6997 39 2
9051 . 73.35000 99.000 139.30 1.0000 0.0000 1.01010E-02 0.7002 39 2
9052 . 73.35700 100.00 132.54 1.0000 0.0000 1.00000E-02 0.6997 39 2
9053 . 73.36400 111.00 122.91 1.0000 0.0000 9.00901E-03 0.7002 39 2
9054 . 73.37100 117.00 112.36 1.0000 0.0000 8.54701E-03 0.7002 39 2
9055 . 73.37800 116.00 102.39 1.0000 0.0000 8.62069E-03 0.6997 39 2
9056 . 73.38500 96.000 93.895 1.0000 0.0000 1.04167E-02 0.7002 39 2
9057 . 73.39200 98.000 86.656 1.0000 0.0000 1.02041E-02 0.6997 40 1
9058 . 73.39900 97.000 81.869 1.0000 0.0000 1.03093E-02 0.7002 40 1
9059 . 73.40600 77.000 78.608 1.0000 0.0000 1.29870E-02 0.7002 40 1
9060 . 73.41299 112.00 76.495 1.0000 0.0000 8.92857E-03 0.6997 40 1
9061 . 73.42000 101.00 75.164 1.0000 0.0000 9.90099E-03 0.7002 40 1
9062 . 73.42700 105.00 74.327 1.0000 0.0000 9.52381E-03 0.6997 40 1
9063 . 73.43400 108.00 73.783 1.0000 0.0000 9.25926E-03 0.7002 40 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 161
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9064 . 73.44100 95.000 73.407 1.0000 0.0000 1.05263E-02 0.7002 40 1
9065 . 73.44800 101.00 73.130 1.0000 0.0000 9.90099E-03 0.6997 40 1
9066 . 73.45500 108.00 72.911 1.0000 0.0000 9.25926E-03 0.7002 40 1
9067 . 73.46201 106.00 72.731 1.0000 0.0000 9.43396E-03 0.6997 40 1
9068 . 73.46900 104.00 72.579 1.0000 0.0000 9.61538E-03 0.7002 40 1
9069 . 73.47600 104.00 72.447 1.0000 0.0000 9.61538E-03 0.7002 40 1
9070 . 73.48300 117.00 72.333 1.0000 0.0000 8.54701E-03 0.6997 40 1
9071 . 73.49000 103.00 72.232 1.0000 0.0000 9.70874E-03 0.7002 40 1
9072 . 73.49700 95.000 72.142 1.0000 0.0000 1.05263E-02 0.6997 40 1
9073 . 73.50400 106.00 72.061 1.0000 0.0000 9.43396E-03 0.7002 40 1
9074 . 73.51100 113.00 71.989 1.0000 0.0000 8.84956E-03 0.7002 40 1
9075 . 73.51800 96.000 71.923 1.0000 0.0000 1.04167E-02 0.6997 40 1
9076 . 73.52500 93.000 71.864 1.0000 0.0000 1.07527E-02 0.7002 40 1
9077 . 73.53201 100.00 71.809 1.0000 0.0000 1.00000E-02 0.6997 40 1
9078 . 73.53900 96.000 71.759 1.0000 0.0000 1.04167E-02 0.7002 40 1
9079 . 73.54600 100.00 71.712 1.0000 0.0000 1.00000E-02 0.7002 40 1
9080 . 73.55300 107.00 71.669 1.0000 0.0000 9.34579E-03 0.6997 40 1
9081 . 73.56000 95.000 71.629 1.0000 0.0000 1.05263E-02 0.7002 40 1
9082 . 73.56700 102.00 71.591 1.0000 0.0000 9.80392E-03 0.6997 40 1
9083 . 73.57400 95.000 71.555 1.0000 0.0000 1.05263E-02 0.7002 40 1
9084 . 73.58100 79.000 71.522 1.0000 0.0000 1.26582E-02 0.7002 40 1
9085 . 73.58800 90.000 71.490 1.0000 0.0000 1.11111E-02 0.6997 40 1
9086 B 73.59500 109.00 71.145 1.0000 0.0000 9.17431E-03 0.7002 0 1
9087 B 73.60201 98.000 71.133 1.0000 0.0000 1.02041E-02 0.6997 0 1
9088 B 73.60900 102.00 71.121 1.0000 0.0000 9.80392E-03 0.7002 0 1
9089 B 73.61600 105.00 71.109 1.0000 0.0000 9.52381E-03 0.7002 0 1
9090 B 73.62300 89.000 71.097 1.0000 0.0000 1.12360E-02 0.6997 0 1
9091 B 73.63000 104.00 71.084 1.0000 0.0000 9.61538E-03 0.7002 0 1
9092 B 73.63700 97.000 71.072 1.0000 0.0000 1.03093E-02 0.6997 0 1
9093 B 73.64400 97.000 71.060 1.0000 0.0000 1.03093E-02 0.7002 0 1
9094 B 73.65100 100.00 71.048 1.0000 0.0000 1.00000E-02 0.7002 0 1
9095 B 73.65800 94.000 71.036 1.0000 0.0000 1.06383E-02 0.6997 0 1
9096 B 73.66500 90.000 71.024 1.0000 0.0000 1.11111E-02 0.7002 0 1
9097 B 73.67200 105.00 71.012 1.0000 0.0000 9.52381E-03 0.6997 0 1
9098 B 73.67900 99.000 71.000 1.0000 0.0000 1.01010E-02 0.7002 0 1
9099 B 73.68600 92.000 70.988 1.0000 0.0000 1.08696E-02 0.7002 0 1
9100 B 73.69300 87.000 70.976 1.0000 0.0000 1.14943E-02 0.6997 0 1
9101 B 73.70000 97.000 70.963 1.0000 0.0000 1.03093E-02 0.7002 0 1
9102 B 73.70700 102.00 70.951 1.0000 0.0000 9.80392E-03 0.6997 0 1
9103 B 73.71400 90.000 70.939 1.0000 0.0000 1.11111E-02 0.7002 0 1
9104 B 73.72100 93.000 70.927 1.0000 0.0000 1.07527E-02 0.7002 0 1
9105 B 73.72800 87.000 70.915 1.0000 0.0000 1.14943E-02 0.6997 0 1
9106 B 73.73500 108.00 70.903 1.0000 0.0000 9.25926E-03 0.7002 0 1
9107 B 73.74200 81.000 70.891 1.0000 0.0000 1.23457E-02 0.6997 0 1
9108 B 73.74900 91.000 70.879 1.0000 0.0000 1.09890E-02 0.7002 0 1
9109 B 73.75600 93.000 70.867 1.0000 0.0000 1.07527E-02 0.7002 0 1
9110 B 73.76300 80.000 70.855 1.0000 0.0000 1.25000E-02 0.6997 0 1
9111 B 73.77000 92.000 70.843 1.0000 0.0000 1.08696E-02 0.7002 0 1
9112 B 73.77700 87.000 70.831 1.0000 0.0000 1.14943E-02 0.6997 0 1
9113 B 73.78400 85.000 70.819 1.0000 0.0000 1.17647E-02 0.7002 0 1
9114 B 73.79100 90.000 70.807 1.0000 0.0000 1.11111E-02 0.7002 0 1
9115 B 73.79800 88.000 70.795 1.0000 0.0000 1.13636E-02 0.6997 0 1
9116 B 73.80500 84.000 70.783 1.0000 0.0000 1.19048E-02 0.7002 0 1
9117 B 73.81200 86.000 70.771 1.0000 0.0000 1.16279E-02 0.6997 0 1
9118 B 73.81900 89.000 70.759 1.0000 0.0000 1.12360E-02 0.7002 0 1
9119 B 73.82600 88.000 70.747 1.0000 0.0000 1.13636E-02 0.7002 0 1
9120 B 73.83300 85.000 70.735 1.0000 0.0000 1.17647E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 162
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9121 B 73.84000 81.000 70.723 1.0000 0.0000 1.23457E-02 0.7002 0 1
9122 B 73.84700 91.000 70.710 1.0000 0.0000 1.09890E-02 0.6997 0 1
9123 B 73.85400 107.00 70.698 1.0000 0.0000 9.34579E-03 0.7002 0 1
9124 B 73.86100 102.00 70.686 1.0000 0.0000 9.80392E-03 0.7002 0 1
9125 B 73.86800 90.000 70.674 1.0000 0.0000 1.11111E-02 0.6997 0 1
9126 B 73.87500 90.000 70.662 1.0000 0.0000 1.11111E-02 0.7002 0 1
9127 B 73.88200 88.000 70.650 1.0000 0.0000 1.13636E-02 0.6997 0 1
9128 B 73.88900 96.000 70.638 1.0000 0.0000 1.04167E-02 0.7002 0 1
9129 B 73.89600 83.000 70.626 1.0000 0.0000 1.20482E-02 0.7002 0 1
9130 B 73.90300 75.000 70.614 1.0000 0.0000 1.33333E-02 0.6997 0 1
9131 B 73.91000 80.000 70.602 1.0000 0.0000 1.25000E-02 0.7002 0 1
9132 B 73.91700 94.000 70.590 1.0000 0.0000 1.06383E-02 0.6997 0 1
9133 B 73.92400 80.000 70.579 1.0000 0.0000 1.25000E-02 0.7002 0 1
9134 B 73.93100 72.000 70.567 1.0000 0.0000 1.38889E-02 0.7002 0 1
9135 B 73.93800 85.000 70.555 1.0000 0.0000 1.17647E-02 0.6997 0 1
9136 B 73.94500 88.000 70.543 1.0000 0.0000 1.13636E-02 0.7002 0 1
9137 B 73.95200 85.000 70.531 1.0000 0.0000 1.17647E-02 0.6997 0 1
9138 B 73.95900 81.000 70.519 1.0000 0.0000 1.23457E-02 0.7002 0 1
9139 B 73.96600 86.000 70.507 1.0000 0.0000 1.16279E-02 0.7002 0 1
9140 B 73.97300 82.000 70.495 1.0000 0.0000 1.21951E-02 0.6997 0 1
9141 B 73.98000 81.000 70.483 1.0000 0.0000 1.23457E-02 0.7002 0 1
9142 B 73.98700 91.000 70.471 1.0000 0.0000 1.09890E-02 0.6997 0 1
9143 B 73.99400 104.00 70.459 1.0000 0.0000 9.61538E-03 0.7002 0 1
9144 B 74.00100 88.000 70.447 1.0000 0.0000 1.13636E-02 0.7002 0 1
9145 B 74.00800 76.000 70.435 1.0000 0.0000 1.31579E-02 0.6997 0 1
9146 B 74.01500 84.000 70.423 1.0000 0.0000 1.19048E-02 0.7002 0 1
9147 B 74.02200 81.000 70.411 1.0000 0.0000 1.23457E-02 0.6997 0 1
9148 B 74.02900 79.000 70.399 1.0000 0.0000 1.26582E-02 0.7002 0 1
9149 B 74.03600 81.000 70.387 1.0000 0.0000 1.23457E-02 0.7002 0 1
9150 B 74.04300 90.000 70.375 1.0000 0.0000 1.11111E-02 0.6997 0 1
9151 B 74.05000 89.000 70.363 1.0000 0.0000 1.12360E-02 0.7002 0 1
9152 B 74.05700 109.00 70.351 1.0000 0.0000 9.17431E-03 0.6997 0 1
9153 B 74.06400 80.000 70.340 1.0000 0.0000 1.25000E-02 0.7002 0 1
9154 B 74.07100 76.000 70.328 1.0000 0.0000 1.31579E-02 0.7002 0 1
9155 B 74.07800 90.000 70.316 1.0000 0.0000 1.11111E-02 0.6997 0 1
9156 B 74.08500 83.000 70.304 1.0000 0.0000 1.20482E-02 0.7002 0 1
9157 B 74.09200 91.000 70.292 1.0000 0.0000 1.09890E-02 0.6997 0 1
9158 B 74.09900 88.000 70.280 1.0000 0.0000 1.13636E-02 0.7002 0 1
9159 B 74.10600 85.000 70.268 1.0000 0.0000 1.17647E-02 0.7002 0 1
9160 B 74.11300 85.000 70.256 1.0000 0.0000 1.17647E-02 0.6997 0 1
9161 B 74.12000 80.000 70.244 1.0000 0.0000 1.25000E-02 0.7002 0 1
9162 B 74.12700 79.000 70.232 1.0000 0.0000 1.26582E-02 0.6997 0 1
9163 B 74.13400 85.000 70.220 1.0000 0.0000 1.17647E-02 0.7002 0 1
9164 B 74.14100 85.000 70.209 1.0000 0.0000 1.17647E-02 0.7002 0 1
9165 B 74.14799 87.000 70.197 1.0000 0.0000 1.14943E-02 0.6997 0 1
9166 B 74.15500 82.000 70.185 1.0000 0.0000 1.21951E-02 0.7002 0 1
9167 B 74.16200 86.000 70.173 1.0000 0.0000 1.16279E-02 0.6997 0 1
9168 B 74.16900 81.000 70.161 1.0000 0.0000 1.23457E-02 0.7002 0 1
9169 B 74.17600 86.000 70.149 1.0000 0.0000 1.16279E-02 0.7002 0 1
9170 B 74.18300 79.000 70.137 1.0000 0.0000 1.26582E-02 0.6997 0 1
9171 B 74.19000 83.000 70.125 1.0000 0.0000 1.20482E-02 0.7002 0 1
9172 B 74.19700 88.000 70.114 1.0000 0.0000 1.13636E-02 0.6997 0 1
9173 B 74.20400 85.000 70.102 1.0000 0.0000 1.17647E-02 0.7002 0 1
9174 B 74.21100 79.000 70.090 1.0000 0.0000 1.26582E-02 0.7002 0 1
9175 B 74.21799 81.000 70.078 1.0000 0.0000 1.23457E-02 0.6997 0 1
9176 B 74.22500 83.000 70.066 1.0000 0.0000 1.20482E-02 0.7002 0 1
9177 B 74.23200 82.000 70.054 1.0000 0.0000 1.21951E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 163
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9178 B 74.23900 82.000 70.042 1.0000 0.0000 1.21951E-02 0.7002 0 1
9179 B 74.24600 97.000 70.031 1.0000 0.0000 1.03093E-02 0.7002 0 1
9180 B 74.25300 65.000 70.019 1.0000 0.0000 1.53846E-02 0.6997 0 1
9181 B 74.26000 81.000 70.007 1.0000 0.0000 1.23457E-02 0.7002 0 1
9182 B 74.26700 92.000 69.995 1.0000 0.0000 1.08696E-02 0.6997 0 1
9183 B 74.27400 84.000 69.983 1.0000 0.0000 1.19048E-02 0.7002 0 1
9184 B 74.28100 66.000 69.971 1.0000 0.0000 1.51515E-02 0.7002 0 1
9185 B 74.28799 79.000 69.960 1.0000 0.0000 1.26582E-02 0.6997 0 1
9186 B 74.29500 71.000 69.948 1.0000 0.0000 1.40845E-02 0.7002 0 1
9187 B 74.30200 77.000 69.936 1.0000 0.0000 1.29870E-02 0.6997 0 1
9188 B 74.30900 69.000 69.924 1.0000 0.0000 1.44928E-02 0.7002 0 1
9189 B 74.31600 83.000 69.912 1.0000 0.0000 1.20482E-02 0.7002 0 1
9190 B 74.32300 86.000 69.901 1.0000 0.0000 1.16279E-02 0.6997 0 1
9191 B 74.33000 80.000 69.889 1.0000 0.0000 1.25000E-02 0.7002 0 1
9192 B 74.33701 80.000 69.877 1.0000 0.0000 1.25000E-02 0.6997 0 1
9193 B 74.34400 68.000 69.865 1.0000 0.0000 1.47059E-02 0.7002 0 1
9194 B 74.35100 66.000 69.853 1.0000 0.0000 1.51515E-02 0.7002 0 1
9195 B 74.35800 77.000 69.842 1.0000 0.0000 1.29870E-02 0.6997 0 1
9196 B 74.36500 80.000 69.830 1.0000 0.0000 1.25000E-02 0.7002 0 1
9197 B 74.37200 80.000 69.818 1.0000 0.0000 1.25000E-02 0.6997 0 1
9198 B 74.37900 78.000 69.806 1.0000 0.0000 1.28205E-02 0.7002 0 1
9199 B 74.38600 73.000 69.794 1.0000 0.0000 1.36986E-02 0.7002 0 1
9200 B 74.39300 68.000 69.783 1.0000 0.0000 1.47059E-02 0.6997 0 1
9201 B 74.40000 74.000 69.771 1.0000 0.0000 1.35135E-02 0.7002 0 1
9202 B 74.40701 71.000 69.759 1.0000 0.0000 1.40845E-02 0.6997 0 1
9203 B 74.41400 80.000 69.747 1.0000 0.0000 1.25000E-02 0.7002 0 1
9204 B 74.42100 82.000 69.736 1.0000 0.0000 1.21951E-02 0.7002 0 1
9205 B 74.42800 77.000 69.724 1.0000 0.0000 1.29870E-02 0.6997 0 1
9206 B 74.43500 86.000 69.712 1.0000 0.0000 1.16279E-02 0.7002 0 1
9207 B 74.44200 87.000 69.700 1.0000 0.0000 1.14943E-02 0.6997 0 1
9208 B 74.44900 88.000 69.689 1.0000 0.0000 1.13636E-02 0.7002 0 1
9209 B 74.45600 88.000 69.677 1.0000 0.0000 1.13636E-02 0.7002 0 1
9210 B 74.46300 84.000 69.665 1.0000 0.0000 1.19048E-02 0.6997 0 1
9211 B 74.47000 91.000 69.653 1.0000 0.0000 1.09890E-02 0.7002 0 1
9212 B 74.47701 89.000 69.642 1.0000 0.0000 1.12360E-02 0.6997 0 1
9213 B 74.48400 77.000 69.630 1.0000 0.0000 1.29870E-02 0.7002 0 1
9214 B 74.49100 80.000 69.618 1.0000 0.0000 1.25000E-02 0.7002 0 1
9215 B 74.49800 79.000 69.606 1.0000 0.0000 1.26582E-02 0.6997 0 1
9216 B 74.50500 69.000 69.595 1.0000 0.0000 1.44928E-02 0.7002 0 1
9217 B 74.51200 78.000 69.583 1.0000 0.0000 1.28205E-02 0.6997 0 1
9218 B 74.51900 84.000 69.571 1.0000 0.0000 1.19048E-02 0.7002 0 1
9219 B 74.52600 78.000 69.560 1.0000 0.0000 1.28205E-02 0.7002 0 1
9220 B 74.53300 86.000 69.548 1.0000 0.0000 1.16279E-02 0.6997 0 1
9221 B 74.54000 79.000 69.536 1.0000 0.0000 1.26582E-02 0.7002 0 1
9222 B 74.54700 73.000 69.524 1.0000 0.0000 1.36986E-02 0.6997 0 1
9223 B 74.55400 67.000 69.513 1.0000 0.0000 1.49254E-02 0.7002 0 1
9224 B 74.56100 64.000 69.501 1.0000 0.0000 1.56250E-02 0.7002 0 1
9225 B 74.56800 81.000 69.489 1.0000 0.0000 1.23457E-02 0.6997 0 1
9226 B 74.57500 76.000 69.478 1.0000 0.0000 1.31579E-02 0.7002 0 1
9227 B 74.58200 77.000 69.466 1.0000 0.0000 1.29870E-02 0.6997 0 1
9228 B 74.58900 86.000 69.454 1.0000 0.0000 1.16279E-02 0.7002 0 1
9229 B 74.59600 75.000 69.443 1.0000 0.0000 1.33333E-02 0.7002 0 1
9230 B 74.60300 74.000 69.431 1.0000 0.0000 1.35135E-02 0.6997 0 1
9231 B 74.61000 77.000 69.419 1.0000 0.0000 1.29870E-02 0.7002 0 1
9232 B 74.61700 78.000 69.407 1.0000 0.0000 1.28205E-02 0.6997 0 1
9233 B 74.62400 70.000 69.396 1.0000 0.0000 1.42857E-02 0.7002 0 1
9234 B 74.63100 79.000 69.384 1.0000 0.0000 1.26582E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 164
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9235 B 74.63800 74.000 69.372 1.0000 0.0000 1.35135E-02 0.6997 0 1
9236 B 74.64500 77.000 69.361 1.0000 0.0000 1.29870E-02 0.7002 0 1
9237 B 74.65200 80.000 69.349 1.0000 0.0000 1.25000E-02 0.6997 0 1
9238 B 74.65900 76.000 69.337 1.0000 0.0000 1.31579E-02 0.7002 0 1
9239 B 74.66600 77.000 69.326 1.0000 0.0000 1.29870E-02 0.7002 0 1
9240 B 74.67300 73.000 69.314 1.0000 0.0000 1.36986E-02 0.6997 0 1
9241 B 74.68000 97.000 69.302 1.0000 0.0000 1.03093E-02 0.7002 0 1
9242 B 74.68700 81.000 69.291 1.0000 0.0000 1.23457E-02 0.6997 0 1
9243 B 74.69400 69.000 69.279 1.0000 0.0000 1.44928E-02 0.7002 0 1
9244 B 74.70100 74.000 69.268 1.0000 0.0000 1.35135E-02 0.7002 0 1
9245 B 74.70800 63.000 69.256 1.0000 0.0000 1.58730E-02 0.6997 0 1
9246 B 74.71500 90.000 69.244 1.0000 0.0000 1.11111E-02 0.7002 0 1
9247 B 74.72200 92.000 69.233 1.0000 0.0000 1.08696E-02 0.6997 0 1
9248 B 74.72900 76.000 69.221 1.0000 0.0000 1.31579E-02 0.7002 0 1
9249 B 74.73600 76.000 69.209 1.0000 0.0000 1.31579E-02 0.7002 0 1
9250 B 74.74300 90.000 69.198 1.0000 0.0000 1.11111E-02 0.6997 0 1
9251 B 74.75000 88.000 69.186 1.0000 0.0000 1.13636E-02 0.7002 0 1
9252 B 74.75700 81.000 69.175 1.0000 0.0000 1.23457E-02 0.6997 0 1
9253 B 74.76400 73.000 69.163 1.0000 0.0000 1.36986E-02 0.7002 0 1
9254 B 74.77100 69.000 69.151 1.0000 0.0000 1.44928E-02 0.7002 0 1
9255 B 74.77800 81.000 69.140 1.0000 0.0000 1.23457E-02 0.6997 0 1
9256 B 74.78500 73.000 69.128 1.0000 0.0000 1.36986E-02 0.7002 0 1
9257 B 74.79200 68.000 69.117 1.0000 0.0000 1.47059E-02 0.6997 0 1
9258 B 74.79900 75.000 69.105 1.0000 0.0000 1.33333E-02 0.7002 0 1
9259 B 74.80600 87.000 69.093 1.0000 0.0000 1.14943E-02 0.7002 0 1
9260 B 74.81300 76.000 69.082 1.0000 0.0000 1.31579E-02 0.6997 0 1
9261 B 74.82000 70.000 69.070 1.0000 0.0000 1.42857E-02 0.7002 0 1
9262 B 74.82700 74.000 69.059 1.0000 0.0000 1.35135E-02 0.6997 0 1
9263 B 74.83400 76.000 69.047 1.0000 0.0000 1.31579E-02 0.7002 0 1
9264 B 74.84100 83.000 69.035 1.0000 0.0000 1.20482E-02 0.7002 0 1
9265 B 74.84800 94.000 69.024 1.0000 0.0000 1.06383E-02 0.6997 0 1
9266 B 74.85500 79.000 69.012 1.0000 0.0000 1.26582E-02 0.7002 0 1
9267 B 74.86200 73.000 69.001 1.0000 0.0000 1.36986E-02 0.6997 0 1
9268 B 74.86900 79.000 68.989 1.0000 0.0000 1.26582E-02 0.7002 0 1
9269 B 74.87600 84.000 68.978 1.0000 0.0000 1.19048E-02 0.7002 0 1
9270 B 74.88300 82.000 68.966 1.0000 0.0000 1.21951E-02 0.6997 0 1
9271 B 74.89000 70.000 68.954 1.0000 0.0000 1.42857E-02 0.7002 0 1
9272 B 74.89700 83.000 68.943 1.0000 0.0000 1.20482E-02 0.6997 0 1
9273 B 74.90400 91.000 68.931 1.0000 0.0000 1.09890E-02 0.7002 0 1
9274 B 74.91100 88.000 68.920 1.0000 0.0000 1.13636E-02 0.7002 0 1
9275 B 74.91800 75.000 68.908 1.0000 0.0000 1.33333E-02 0.6997 0 1
9276 B 74.92500 79.000 68.897 1.0000 0.0000 1.26582E-02 0.7002 0 1
9277 B 74.93200 64.000 68.885 1.0000 0.0000 1.56250E-02 0.6997 0 1
9278 B 74.93900 75.000 68.874 1.0000 0.0000 1.33333E-02 0.7002 0 1
9279 B 74.94600 80.000 68.862 1.0000 0.0000 1.25000E-02 0.7002 0 1
9280 B 74.95300 75.000 68.851 1.0000 0.0000 1.33333E-02 0.6997 0 1
9281 B 74.96000 82.000 68.839 1.0000 0.0000 1.21951E-02 0.7002 0 1
9282 B 74.96700 70.000 68.827 1.0000 0.0000 1.42857E-02 0.6997 0 1
9283 B 74.97400 71.000 68.816 1.0000 0.0000 1.40845E-02 0.7002 0 1
9284 B 74.98100 86.000 68.804 1.0000 0.0000 1.16279E-02 0.7002 0 1
9285 B 74.98800 77.000 68.793 1.0000 0.0000 1.29870E-02 0.6997 0 1
9286 B 74.99500 78.000 68.781 1.0000 0.0000 1.28205E-02 0.7002 0 1
9287 B 75.00200 82.000 68.770 1.0000 0.0000 1.21951E-02 0.6997 0 1
9288 B 75.00900 80.000 68.758 1.0000 0.0000 1.25000E-02 0.7002 0 1
9289 B 75.01600 84.000 68.747 1.0000 0.0000 1.19048E-02 0.7002 0 1
9290 B 75.02299 78.000 68.735 1.0000 0.0000 1.28205E-02 0.6997 0 1
9291 B 75.03000 93.000 68.724 1.0000 0.0000 1.07527E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 165
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9292 B 75.03700 83.000 68.712 1.0000 0.0000 1.20482E-02 0.6997 0 1
9293 B 75.04400 78.000 68.701 1.0000 0.0000 1.28205E-02 0.7002 0 1
9294 B 75.05100 84.000 68.689 1.0000 0.0000 1.19048E-02 0.7002 0 1
9295 B 75.05800 85.000 68.678 1.0000 0.0000 1.17647E-02 0.6997 0 1
9296 B 75.06500 85.000 68.666 1.0000 0.0000 1.17647E-02 0.7002 0 1
9297 B 75.07200 84.000 68.655 1.0000 0.0000 1.19048E-02 0.6997 0 1
9298 B 75.07900 83.000 68.644 1.0000 0.0000 1.20482E-02 0.7002 0 1
9299 B 75.08600 79.000 68.632 1.0000 0.0000 1.26582E-02 0.7002 0 1
9300 B 75.09299 77.000 68.621 1.0000 0.0000 1.29870E-02 0.6997 0 1
9301 B 75.10000 88.000 68.609 1.0000 0.0000 1.13636E-02 0.7002 0 1
9302 B 75.10700 87.000 68.598 1.0000 0.0000 1.14943E-02 0.6997 0 1
9303 B 75.11400 99.000 68.586 1.0000 0.0000 1.01010E-02 0.7002 0 1
9304 B 75.12100 98.000 68.575 1.0000 0.0000 1.02041E-02 0.7002 0 1
9305 B 75.12800 82.000 68.563 1.0000 0.0000 1.21951E-02 0.6997 0 1
9306 B 75.13500 80.000 68.552 1.0000 0.0000 1.25000E-02 0.7002 0 1
9307 B 75.14200 90.000 68.540 1.0000 0.0000 1.11111E-02 0.6997 0 1
9308 B 75.14900 78.000 68.529 1.0000 0.0000 1.28205E-02 0.7002 0 1
9309 B 75.15600 96.000 68.517 1.0000 0.0000 1.04167E-02 0.7002 0 1
9310 B 75.16299 98.000 68.506 1.0000 0.0000 1.02041E-02 0.6997 0 1
9311 B 75.17000 88.000 68.495 1.0000 0.0000 1.13636E-02 0.7002 0 1
9312 B 75.17700 82.000 68.483 1.0000 0.0000 1.21951E-02 0.6997 0 1
9313 B 75.18400 88.000 68.472 1.0000 0.0000 1.13636E-02 0.7002 0 1
9314 B 75.19100 88.000 68.460 1.0000 0.0000 1.13636E-02 0.7002 0 1
9315 B 75.19800 86.000 68.449 1.0000 0.0000 1.16279E-02 0.6997 0 1
9316 B 75.20500 74.000 68.437 1.0000 0.0000 1.35135E-02 0.7002 0 1
9317 B 75.21201 92.000 68.426 1.0000 0.0000 1.08696E-02 0.6997 0 1
9318 B 75.21900 81.000 68.415 1.0000 0.0000 1.23457E-02 0.7002 0 1
9319 B 75.22600 79.000 68.403 1.0000 0.0000 1.26582E-02 0.7002 0 1
9320 B 75.23300 88.000 68.392 1.0000 0.0000 1.13636E-02 0.6997 0 1
9321 B 75.24000 78.000 68.380 1.0000 0.0000 1.28205E-02 0.7002 0 1
9322 B 75.24700 91.000 68.369 1.0000 0.0000 1.09890E-02 0.6997 0 1
9323 B 75.25400 91.000 68.358 1.0000 0.0000 1.09890E-02 0.7002 0 1
9324 B 75.26100 91.000 68.346 1.0000 0.0000 1.09890E-02 0.7002 0 1
9325 B 75.26800 102.00 68.335 1.0000 0.0000 9.80392E-03 0.6997 0 1
9326 B 75.27500 98.000 68.323 1.0000 0.0000 1.02041E-02 0.7002 0 1
9327 B 75.28201 85.000 68.312 1.0000 0.0000 1.17647E-02 0.6997 0 1
9328 B 75.28900 83.000 68.301 1.0000 0.0000 1.20482E-02 0.7002 0 1
9329 B 75.29600 95.000 68.289 1.0000 0.0000 1.05263E-02 0.7002 0 1
9330 B 75.30300 93.000 68.278 1.0000 0.0000 1.07527E-02 0.6997 0 1
9331 B 75.31000 78.000 68.267 1.0000 0.0000 1.28205E-02 0.7002 0 1
9332 B 75.31700 80.000 68.255 1.0000 0.0000 1.25000E-02 0.6997 0 1
9333 B 75.32400 68.000 68.244 1.0000 0.0000 1.47059E-02 0.7002 0 1
9334 B 75.33100 84.000 68.232 1.0000 0.0000 1.19048E-02 0.7002 0 1
9335 B 75.33800 87.000 68.221 1.0000 0.0000 1.14943E-02 0.6997 0 1
9336 B 75.34500 82.000 68.210 1.0000 0.0000 1.21951E-02 0.7002 0 1
9337 B 75.35201 100.00 68.198 1.0000 0.0000 1.00000E-02 0.6997 0 1
9338 B 75.35900 75.000 68.187 1.0000 0.0000 1.33333E-02 0.7002 0 1
9339 B 75.36600 84.000 68.176 1.0000 0.0000 1.19048E-02 0.7002 0 1
9340 B 75.37300 100.00 68.164 1.0000 0.0000 1.00000E-02 0.6997 0 1
9341 B 75.38000 92.000 68.153 1.0000 0.0000 1.08696E-02 0.7002 0 1
9342 B 75.38700 93.000 68.142 1.0000 0.0000 1.07527E-02 0.6997 0 1
9343 B 75.39400 96.000 68.130 1.0000 0.0000 1.04167E-02 0.7002 0 1
9344 B 75.40100 92.000 68.119 1.0000 0.0000 1.08696E-02 0.7002 0 1
9345 B 75.40800 101.00 68.108 1.0000 0.0000 9.90099E-03 0.6997 0 1
9346 B 75.41500 106.00 68.096 1.0000 0.0000 9.43396E-03 0.7002 0 1
9347 B 75.42200 96.000 68.085 1.0000 0.0000 1.04167E-02 0.6997 0 1
9348 B 75.42900 95.000 68.074 1.0000 0.0000 1.05263E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 166
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9349 B 75.43600 93.000 68.062 1.0000 0.0000 1.07527E-02 0.7002 0 1
9350 B 75.44300 105.00 68.051 1.0000 0.0000 9.52381E-03 0.6997 0 1
9351 B 75.45000 108.00 68.040 1.0000 0.0000 9.25926E-03 0.7002 0 1
9352 B 75.45700 103.00 68.028 1.0000 0.0000 9.70874E-03 0.6997 0 1
9353 B 75.46400 101.00 68.017 1.0000 0.0000 9.90099E-03 0.7002 0 1
9354 . 75.47100 97.000 68.355 1.0000 0.0000 1.03093E-02 0.7002 41 1
9355 . 75.47800 96.000 68.363 1.0000 0.0000 1.04167E-02 0.6997 41 1
9356 . 75.48500 107.00 68.373 1.0000 0.0000 9.34579E-03 0.7002 41 1
9357 . 75.49200 103.00 68.385 1.0000 0.0000 9.70874E-03 0.6997 41 1
9358 . 75.49900 104.00 68.399 1.0000 0.0000 9.61538E-03 0.7002 41 1
9359 . 75.50600 106.00 68.416 1.0000 0.0000 9.43396E-03 0.7002 41 1
9360 . 75.51300 101.00 68.435 1.0000 0.0000 9.90099E-03 0.6997 41 1
9361 . 75.52000 103.00 68.457 1.0000 0.0000 9.70874E-03 0.7002 41 1
9362 . 75.52700 109.00 68.482 1.0000 0.0000 9.17431E-03 0.6997 41 1
9363 . 75.53400 102.00 68.512 1.0000 0.0000 9.80392E-03 0.7002 41 1
9364 . 75.54100 102.00 68.545 1.0000 0.0000 9.80392E-03 0.7002 41 1
9365 . 75.54800 120.00 68.585 1.0000 0.0000 8.33333E-03 0.6997 41 1
9366 . 75.55500 108.00 68.630 1.0000 0.0000 9.25926E-03 0.7002 41 1
9367 . 75.56200 88.000 68.682 1.0000 0.0000 1.13636E-02 0.6997 41 1
9368 . 75.56900 92.000 68.742 1.0000 0.0000 1.08696E-02 0.7002 41 1
9369 . 75.57600 112.00 68.812 1.0000 0.0000 8.92857E-03 0.7002 41 1
9370 . 75.58300 91.000 68.893 1.0000 0.0000 1.09890E-02 0.6997 41 1
9371 . 75.59000 105.00 68.988 1.0000 0.0000 9.52381E-03 0.7002 41 1
9372 . 75.59700 114.00 69.100 1.0000 0.0000 8.77193E-03 0.6997 41 1
9373 . 75.60400 116.00 69.231 1.0000 0.0000 8.62069E-03 0.7002 41 1
9374 . 75.61100 117.00 69.448 1.0000 0.0000 8.54701E-03 0.7002 41 2
9375 . 75.61800 104.00 69.643 1.0000 0.0000 9.61538E-03 0.6997 41 2
9376 . 75.62500 107.00 69.888 1.0000 0.0000 9.34579E-03 0.7002 41 2
9377 . 75.63200 108.00 70.210 1.0000 0.0000 9.25926E-03 0.6997 41 2
9378 . 75.63900 103.00 70.662 1.0000 0.0000 9.70874E-03 0.7002 41 2
9379 . 75.64600 105.00 71.338 1.0000 0.0000 9.52381E-03 0.7002 41 2
9380 . 75.65300 109.00 72.395 1.0000 0.0000 9.17431E-03 0.6997 41 2
9381 . 75.66000 115.00 74.084 1.0000 0.0000 8.69565E-03 0.7002 41 2
9382 . 75.66700 110.00 76.745 1.0000 0.0000 9.09091E-03 0.6997 41 2
9383 . 75.67400 102.00 80.787 1.0000 0.0000 9.80392E-03 0.7002 41 2
9384 . 75.68100 120.00 86.618 1.0000 0.0000 8.33333E-03 0.7002 41 2
9385 . 75.68800 121.00 94.481 1.0000 0.0000 8.26446E-03 0.6997 41 2
9386 . 75.69500 121.00 104.50 1.0000 0.0000 8.26446E-03 0.7002 41 3
9387 . 75.70200 103.00 115.79 1.0000 0.0000 9.70874E-03 0.6997 41 3
9388 . 75.70900 117.00 127.35 1.0000 0.0000 8.54701E-03 0.7002 41 3
9389 . 75.71600 116.00 137.43 1.0000 0.0000 8.62069E-03 0.7002 41 3
9390 .1 75.72300 109.00 143.80 1.0000 0.0000 9.17431E-03 0.6997 41 3
9391 . 75.73000 101.00 144.62 1.0000 0.0000 9.90099E-03 0.7002 41 3
9392 . 75.73700 114.00 139.63 1.0000 0.0000 8.77193E-03 0.6997 41 3
9393 . 75.74400 117.00 130.37 1.0000 0.0000 8.54701E-03 0.7002 41 3
9394 . 75.75100 123.00 119.04 1.0000 0.0000 8.13008E-03 0.7002 41 3
9395 . 75.75800 107.00 107.61 1.0000 0.0000 9.34579E-03 0.6997 41 3
9396 . 75.76500 118.00 97.374 1.0000 0.0000 8.47458E-03 0.7002 41 3
9397 . 75.77200 112.00 89.037 1.0000 0.0000 8.92857E-03 0.6997 41 3
9398 . 75.77900 113.00 82.795 1.0000 0.0000 8.84956E-03 0.7002 41 3
9399 . 75.78600 127.00 78.473 1.0000 0.0000 7.87402E-03 0.7002 41 3
9400 . 75.79300 129.00 75.736 1.0000 0.0000 7.75194E-03 0.6997 41 3
9401 . 75.80000 110.00 74.210 1.0000 0.0000 9.09091E-03 0.7002 41 3
9402 . 75.80700 126.00 73.597 1.0000 0.0000 7.93651E-03 0.6997 41 3
9403 . 75.81400 124.00 73.695 1.0000 0.0000 8.06452E-03 0.7002 41 3
9404 . 75.82100 118.00 74.382 1.0000 0.0000 8.47458E-03 0.7002 41 3
9405 . 75.82800 117.00 75.598 1.0000 0.0000 8.54701E-03 0.6997 41 4
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 167
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9406 . 75.83500 115.00 77.182 1.0000 0.0000 8.69565E-03 0.7002 41 4
9407 . 75.84200 114.00 78.996 1.0000 0.0000 8.77193E-03 0.6997 41 4
9408 . 75.84900 103.00 80.785 1.0000 0.0000 9.70874E-03 0.7002 41 4
9409 . 75.85600 133.00 82.223 1.0000 0.0000 7.51880E-03 0.7002 41 4
9410 .1 75.86300 127.00 82.979 1.0000 0.0000 7.87402E-03 0.6997 41 4
9411 . 75.87000 117.00 82.922 1.0000 0.0000 8.54701E-03 0.7002 41 4
9412 . 75.87700 116.00 82.274 1.0000 0.0000 8.62069E-03 0.6997 41 4
9413 . 75.88400 101.00 81.524 1.0000 0.0000 9.90099E-03 0.7002 41 4
9414 . 75.89100 111.00 81.218 1.0000 0.0000 9.00901E-03 0.7002 41 4
9415 . 75.89799 118.00 81.833 1.0000 0.0000 8.47458E-03 0.6997 41 4
9416 . 75.90500 140.00 83.695 1.0000 0.0000 7.14286E-03 0.7002 41 4
9417 . 75.91200 122.00 86.917 1.0000 0.0000 8.19672E-03 0.6997 41 4
9418 . 75.91900 119.00 91.327 1.0000 0.0000 8.40336E-03 0.7002 41 4
9419 . 75.92600 130.00 96.441 1.0000 0.0000 7.69231E-03 0.7002 41 4
9420 . 75.93300 126.00 101.43 1.0000 0.0000 7.93651E-03 0.6997 41 4
9421 . 75.94000 116.00 105.20 1.0000 0.0000 8.62069E-03 0.7002 41 4
9422 .1 75.94700 115.00 106.63 1.0000 0.0000 8.69565E-03 0.6997 41 4
9423 . 75.95400 119.00 105.16 1.0000 0.0000 8.40336E-03 0.7002 41 4
9424 . 75.96100 124.00 101.21 1.0000 0.0000 8.06452E-03 0.7002 41 4
9425 . 75.96799 119.00 95.798 1.0000 0.0000 8.40336E-03 0.6997 41 4
9426 . 75.97500 133.00 89.967 1.0000 0.0000 7.51880E-03 0.7002 41 4
9427 . 75.98200 143.00 84.150 1.0000 0.0000 6.99301E-03 0.6997 42 3
9428 . 75.98900 118.00 79.547 1.0000 0.0000 8.47458E-03 0.7002 42 3
9429 . 75.99600 167.00 75.966 1.0000 0.0000 5.98802E-03 0.7002 42 3
9430 . 76.00300 126.00 73.392 1.0000 0.0000 7.93651E-03 0.6997 42 3
9431 . 76.01000 116.00 71.679 1.0000 0.0000 8.62069E-03 0.7002 42 3
9432 . 76.01700 114.00 70.641 1.0000 0.0000 8.77193E-03 0.6997 42 3
9433 . 76.02400 111.00 70.122 1.0000 0.0000 9.00901E-03 0.7002 42 4
9434 . 76.03100 114.00 69.977 1.0000 0.0000 8.77193E-03 0.7002 42 4
9435 . 76.03799 114.00 70.143 1.0000 0.0000 8.77193E-03 0.6997 42 4
9436 . 76.04500 124.00 70.570 1.0000 0.0000 8.06452E-03 0.7002 42 4
9437 . 76.05200 132.00 71.215 1.0000 0.0000 7.57576E-03 0.6997 42 4
9438 . 76.05900 138.00 72.009 1.0000 0.0000 7.24638E-03 0.7002 42 4
9439 . 76.06600 140.00 72.847 1.0000 0.0000 7.14286E-03 0.7002 42 4
9440 . 76.07300 122.00 73.575 1.0000 0.0000 8.19672E-03 0.6997 42 4
9441 .1 76.08000 134.00 74.006 1.0000 0.0000 7.46269E-03 0.7002 42 4
9442 . 76.08701 131.00 73.989 1.0000 0.0000 7.63359E-03 0.6997 42 4
9443 . 76.09400 126.00 73.505 1.0000 0.0000 7.93651E-03 0.7002 42 4
9444 . 76.10100 137.00 72.677 1.0000 0.0000 7.29927E-03 0.7002 42 4
9445 . 76.10800 126.00 71.690 1.0000 0.0000 7.93651E-03 0.6997 42 4
9446 . 76.11500 133.00 70.639 1.0000 0.0000 7.51880E-03 0.7002 43 3
9447 . 76.12200 128.00 69.754 1.0000 0.0000 7.81250E-03 0.6997 43 3
9448 . 76.12900 126.00 69.029 1.0000 0.0000 7.93651E-03 0.7002 43 3
9449 . 76.13600 139.00 68.475 1.0000 0.0000 7.19424E-03 0.7002 43 3
9450 . 76.14300 133.00 68.078 1.0000 0.0000 7.51880E-03 0.6997 43 3
9451 . 76.15000 140.00 67.805 1.0000 0.0000 7.14286E-03 0.7002 43 3
9452 . 76.15701 145.00 67.624 1.0000 0.0000 6.89655E-03 0.6997 43 3
9453 . 76.16400 142.00 67.503 1.0000 0.0000 7.04225E-03 0.7002 43 3
9454 . 76.17100 136.00 67.421 1.0000 0.0000 7.35294E-03 0.7002 43 3
9455 . 76.17800 129.00 67.363 1.0000 0.0000 7.75194E-03 0.6997 43 3
9456 . 76.18500 120.00 67.321 1.0000 0.0000 8.33333E-03 0.7002 43 3
9457 . 76.19200 127.00 67.292 1.0000 0.0000 7.87402E-03 0.6997 43 3
9458 . 76.19900 127.00 67.096 1.0000 0.0000 7.87402E-03 0.7002 44 2
9459 . 76.20600 128.00 67.108 1.0000 0.0000 7.81250E-03 0.7002 44 2
9460 . 76.21300 104.00 67.144 1.0000 0.0000 9.61538E-03 0.6997 44 2
9461 . 76.22000 107.00 67.214 1.0000 0.0000 9.34579E-03 0.7002 44 2
9462 . 76.22701 128.00 67.330 1.0000 0.0000 7.81250E-03 0.6997 44 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 168
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9463 . 76.23400 126.00 67.501 1.0000 0.0000 7.93651E-03 0.7002 44 2
9464 . 76.24100 124.00 67.730 1.0000 0.0000 8.06452E-03 0.7002 44 2
9465 . 76.24800 123.00 68.013 1.0000 0.0000 8.13008E-03 0.6997 44 3
9466 . 76.25500 124.00 68.320 1.0000 0.0000 8.06452E-03 0.7002 44 3
9467 . 76.26200 119.00 68.612 1.0000 0.0000 8.40336E-03 0.6997 44 3
9468 . 76.26900 137.00 68.835 1.0000 0.0000 7.29927E-03 0.7002 44 3
9469 .1 76.27600 136.00 68.926 1.0000 0.0000 7.35294E-03 0.7002 44 3
9470 . 76.28300 121.00 68.854 1.0000 0.0000 8.26446E-03 0.6997 44 3
9471 . 76.29000 131.00 68.636 1.0000 0.0000 7.63359E-03 0.7002 44 3
9472 . 76.29700 121.00 68.329 1.0000 0.0000 8.26446E-03 0.6997 44 3
9473 . 76.30400 129.00 67.993 1.0000 0.0000 7.75194E-03 0.7002 44 3
9474 . 76.31100 139.00 67.674 1.0000 0.0000 7.19424E-03 0.7002 44 3
9475 . 76.31800 131.00 67.399 1.0000 0.0000 7.63359E-03 0.6997 44 3
9476 . 76.32500 127.00 67.180 1.0000 0.0000 7.87402E-03 0.7002 44 3
9477 . 76.33200 122.00 67.017 1.0000 0.0000 8.19672E-03 0.6997 44 3
9478 . 76.33900 113.00 66.872 1.0000 0.0000 8.84956E-03 0.7002 45 2
9479 . 76.34600 112.00 66.795 1.0000 0.0000 8.92857E-03 0.7002 45 2
9480 . 76.35300 119.00 66.742 1.0000 0.0000 8.40336E-03 0.6997 45 2
9481 . 76.36000 124.00 66.706 1.0000 0.0000 8.06452E-03 0.7002 45 2
9482 . 76.36700 117.00 66.679 1.0000 0.0000 8.54701E-03 0.6997 45 2
9483 . 76.37400 131.00 66.658 1.0000 0.0000 7.63359E-03 0.7002 45 2
9484 . 76.38100 131.00 66.641 1.0000 0.0000 7.63359E-03 0.7002 45 2
9485 . 76.38800 121.00 66.626 1.0000 0.0000 8.26446E-03 0.6997 45 2
9486 . 76.39500 119.00 66.613 1.0000 0.0000 8.40336E-03 0.7002 45 2
9487 . 76.40200 120.00 66.602 1.0000 0.0000 8.33333E-03 0.6997 45 2
9488 . 76.40900 122.00 66.593 1.0000 0.0000 8.19672E-03 0.7002 45 2
9489 . 76.41600 116.00 66.587 1.0000 0.0000 8.62069E-03 0.7002 45 2
9490 . 76.42300 117.00 66.587 1.0000 0.0000 8.54701E-03 0.6997 45 2
9491 . 76.43000 111.00 66.594 1.0000 0.0000 9.00901E-03 0.7002 45 2
9492 . 76.43700 109.00 66.615 1.0000 0.0000 9.17431E-03 0.6997 45 2
9493 . 76.44400 124.00 66.653 1.0000 0.0000 8.06452E-03 0.7002 45 2
9494 . 76.45100 108.00 66.715 1.0000 0.0000 9.25926E-03 0.7002 45 2
9495 . 76.45800 127.00 66.804 1.0000 0.0000 7.87402E-03 0.6997 45 2
9496 . 76.46500 114.00 66.922 1.0000 0.0000 8.77193E-03 0.7002 45 2
9497 . 76.47200 99.000 67.062 1.0000 0.0000 1.01010E-02 0.6997 45 2
9498 . 76.47900 118.00 67.210 1.0000 0.0000 8.47458E-03 0.7002 45 2
9499 . 76.48600 110.00 67.345 1.0000 0.0000 9.09091E-03 0.7002 45 2
9500 .1 76.49300 117.00 67.436 1.0000 0.0000 8.54701E-03 0.6997 45 2
9501 . 76.50000 109.00 67.455 1.0000 0.0000 9.17431E-03 0.7002 45 2
9502 . 76.50700 97.000 67.393 1.0000 0.0000 1.03093E-02 0.6997 45 2
9503 . 76.51400 107.00 67.266 1.0000 0.0000 9.34579E-03 0.7002 45 2
9504 . 76.52100 96.000 67.102 1.0000 0.0000 1.04167E-02 0.7002 45 2
9505 . 76.52800 115.00 66.930 1.0000 0.0000 8.69565E-03 0.6997 45 2
9506 . 76.53500 121.00 66.762 1.0000 0.0000 8.26446E-03 0.7002 46 1
9507 . 76.54200 116.00 66.627 1.0000 0.0000 8.62069E-03 0.6997 46 1
9508 . 76.54900 100.00 66.522 1.0000 0.0000 1.00000E-02 0.7002 46 1
9509 . 76.55600 122.00 66.442 1.0000 0.0000 8.19672E-03 0.7002 46 1
9510 . 76.56300 110.00 66.385 1.0000 0.0000 9.09091E-03 0.6997 46 1
9511 . 76.57000 107.00 66.345 1.0000 0.0000 9.34579E-03 0.7002 46 1
9512 . 76.57700 100.00 66.315 1.0000 0.0000 1.00000E-02 0.6997 46 1
9513 . 76.58400 117.00 66.292 1.0000 0.0000 8.54701E-03 0.7002 46 1
9514 . 76.59100 123.00 66.273 1.0000 0.0000 8.13008E-03 0.7002 46 1
9515 . 76.59800 118.00 66.257 1.0000 0.0000 8.47458E-03 0.6997 46 1
9516 . 76.60500 114.00 66.316 1.0000 0.0000 8.77193E-03 0.7002 46 2
9517 . 76.61200 102.00 66.306 1.0000 0.0000 9.80392E-03 0.6997 46 2
9518 . 76.61900 110.00 66.297 1.0000 0.0000 9.09091E-03 0.7002 46 2
9519 . 76.62600 109.00 66.289 1.0000 0.0000 9.17431E-03 0.7002 46 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 169
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9520 . 76.63300 112.00 66.282 1.0000 0.0000 8.92857E-03 0.6997 46 2
9521 . 76.64000 99.000 66.276 1.0000 0.0000 1.01010E-02 0.7002 46 2
9522 . 76.64700 110.00 66.270 1.0000 0.0000 9.09091E-03 0.6997 46 2
9523 . 76.65400 110.00 66.265 1.0000 0.0000 9.09091E-03 0.7002 46 2
9524 . 76.66100 95.000 66.261 1.0000 0.0000 1.05263E-02 0.7002 46 2
9525 . 76.66800 118.00 66.258 1.0000 0.0000 8.47458E-03 0.6997 46 2
9526 . 76.67500 116.00 66.256 1.0000 0.0000 8.62069E-03 0.7002 46 2
9527 . 76.68200 119.00 66.256 1.0000 0.0000 8.40336E-03 0.6997 46 2
9528 . 76.68900 109.00 66.257 1.0000 0.0000 9.17431E-03 0.7002 46 2
9529 . 76.69600 95.000 66.259 1.0000 0.0000 1.05263E-02 0.7002 46 2
9530 . 76.70300 99.000 66.263 1.0000 0.0000 1.01010E-02 0.6997 46 2
9531 . 76.71000 93.000 66.270 1.0000 0.0000 1.07527E-02 0.7002 46 2
9532 . 76.71700 101.00 66.279 1.0000 0.0000 9.90099E-03 0.6997 46 2
9533 . 76.72400 121.00 66.291 1.0000 0.0000 8.26446E-03 0.7002 46 2
9534 . 76.73100 97.000 66.307 1.0000 0.0000 1.03093E-02 0.7002 46 2
9535 . 76.73800 87.000 66.327 1.0000 0.0000 1.14943E-02 0.6997 46 2
9536 . 76.74500 112.00 66.354 1.0000 0.0000 8.92857E-03 0.7002 46 2
9537 . 76.75200 103.00 66.384 1.0000 0.0000 9.70874E-03 0.6997 47 1
9538 . 76.75900 96.000 66.431 1.0000 0.0000 1.04167E-02 0.7002 47 1
9539 . 76.76600 108.00 66.499 1.0000 0.0000 9.25926E-03 0.7002 47 1
9540 . 76.77299 101.00 66.601 1.0000 0.0000 9.90099E-03 0.6997 47 1
9541 . 76.78000 93.000 66.762 1.0000 0.0000 1.07527E-02 0.7002 47 1
9542 . 76.78700 110.00 67.022 1.0000 0.0000 9.09091E-03 0.6997 47 1
9543 . 76.79400 98.000 67.441 1.0000 0.0000 1.02041E-02 0.7002 47 1
9544 . 76.80100 82.000 68.094 1.0000 0.0000 1.21951E-02 0.7002 47 1
9545 . 76.80800 82.000 69.064 1.0000 0.0000 1.21951E-02 0.6997 47 1
9546 . 76.81500 94.000 70.423 1.0000 0.0000 1.06383E-02 0.7002 47 1
9547 . 76.82200 92.000 72.193 1.0000 0.0000 1.08696E-02 0.6997 47 1
9548 . 76.82900 131.00 74.356 1.0000 0.0000 7.63359E-03 0.7002 47 2
9549 . 76.83600 101.00 76.678 1.0000 0.0000 9.90099E-03 0.7002 47 2
9550 . 76.84299 115.00 78.905 1.0000 0.0000 8.69565E-03 0.6997 47 2
9551 . 76.85000 104.00 80.630 1.0000 0.0000 9.61538E-03 0.7002 47 2
9552 .1 76.85700 96.000 81.413 1.0000 0.0000 1.04167E-02 0.6997 47 2
9553 . 76.86400 73.000 81.010 1.0000 0.0000 1.36986E-02 0.7002 47 2
9554 . 76.87100 76.000 79.546 1.0000 0.0000 1.31579E-02 0.7002 47 2
9555 . 76.87800 87.000 77.426 1.0000 0.0000 1.14943E-02 0.6997 47 2
9556 . 76.88500 104.00 75.081 1.0000 0.0000 9.61538E-03 0.7002 47 2
9557 . 76.89200 107.00 72.847 1.0000 0.0000 9.34579E-03 0.6997 47 2
9558 . 76.89900 100.00 70.928 1.0000 0.0000 1.00000E-02 0.7002 47 2
9559 . 76.90600 102.00 69.411 1.0000 0.0000 9.80392E-03 0.7002 47 2
9560 . 76.91299 93.000 68.299 1.0000 0.0000 1.07527E-02 0.6997 47 2
9561 . 76.92000 83.000 67.532 1.0000 0.0000 1.20482E-02 0.7002 47 2
9562 . 76.92700 95.000 67.029 1.0000 0.0000 1.05263E-02 0.6997 47 2
9563 . 76.93400 108.00 66.710 1.0000 0.0000 9.25926E-03 0.7002 47 2
9564 . 76.94100 109.00 66.508 1.0000 0.0000 9.17431E-03 0.7002 47 2
9565 . 76.94800 102.00 66.380 1.0000 0.0000 9.80392E-03 0.6997 47 2
9566 . 76.95500 89.000 66.294 1.0000 0.0000 1.12360E-02 0.7002 47 2
9567 . 76.96201 109.00 66.235 1.0000 0.0000 9.17431E-03 0.6997 47 2
9568 . 76.96900 104.00 66.193 1.0000 0.0000 9.61538E-03 0.7002 47 2
9569 . 76.97600 95.000 66.165 1.0000 0.0000 1.05263E-02 0.7002 47 2
9570 . 76.98300 97.000 66.150 1.0000 0.0000 1.03093E-02 0.6997 47 2
9571 . 76.99000 95.000 66.149 1.0000 0.0000 1.05263E-02 0.7002 47 2
9572 . 76.99700 90.000 66.169 1.0000 0.0000 1.11111E-02 0.6997 47 2
9573 . 77.00400 102.00 66.220 1.0000 0.0000 9.80392E-03 0.7002 47 2
9574 . 77.01100 97.000 66.322 1.0000 0.0000 1.03093E-02 0.7002 47 2
9575 . 77.01800 92.000 66.503 1.0000 0.0000 1.08696E-02 0.6997 47 2
9576 . 77.02500 82.000 66.800 1.0000 0.0000 1.21951E-02 0.7002 47 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 170
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9577 . 77.03201 86.000 67.254 1.0000 0.0000 1.16279E-02 0.6997 47 2
9578 . 77.03900 88.000 67.900 1.0000 0.0000 1.13636E-02 0.7002 47 2
9579 . 77.04600 91.000 68.752 1.0000 0.0000 1.09890E-02 0.7002 47 2
9580 . 77.05300 93.000 69.784 1.0000 0.0000 1.07527E-02 0.6997 47 2
9581 . 77.06000 89.000 70.921 1.0000 0.0000 1.12360E-02 0.7002 47 2
9582 . 77.06700 90.000 72.021 1.0000 0.0000 1.11111E-02 0.6997 47 2
9583 . 77.07400 112.00 72.886 1.0000 0.0000 8.92857E-03 0.7002 47 2
9584 .1 77.08100 95.000 73.297 1.0000 0.0000 1.05263E-02 0.7002 47 2
9585 . 77.08800 86.000 73.122 1.0000 0.0000 1.16279E-02 0.6997 47 2
9586 . 77.09500 107.00 72.412 1.0000 0.0000 9.34579E-03 0.7002 47 2
9587 . 77.10201 104.00 71.361 1.0000 0.0000 9.61538E-03 0.6997 47 2
9588 . 77.10900 97.000 70.188 1.0000 0.0000 1.03093E-02 0.7002 47 2
9589 . 77.11600 93.000 68.988 1.0000 0.0000 1.07527E-02 0.7002 48 1
9590 . 77.12300 94.000 68.015 1.0000 0.0000 1.06383E-02 0.6997 48 1
9591 . 77.13000 97.000 67.240 1.0000 0.0000 1.03093E-02 0.7002 48 1
9592 . 77.13700 95.000 66.666 1.0000 0.0000 1.05263E-02 0.6997 48 1
9593 . 77.14400 87.000 66.266 1.0000 0.0000 1.14943E-02 0.7002 48 1
9594 . 77.15100 88.000 65.999 1.0000 0.0000 1.13636E-02 0.7002 48 1
9595 . 77.15800 88.000 65.826 1.0000 0.0000 1.13636E-02 0.6997 48 1
9596 . 77.16500 86.000 65.713 1.0000 0.0000 1.16279E-02 0.7002 48 1
9597 . 77.17200 106.00 65.636 1.0000 0.0000 9.43396E-03 0.6997 48 1
9598 . 77.17900 106.00 65.580 1.0000 0.0000 9.43396E-03 0.7002 48 1
9599 . 77.18600 76.000 65.537 1.0000 0.0000 1.31579E-02 0.7002 48 1
9600 . 77.19300 73.000 65.501 1.0000 0.0000 1.36986E-02 0.6997 48 1
9601 . 77.20000 93.000 65.470 1.0000 0.0000 1.07527E-02 0.7002 48 1
9602 . 77.20700 88.000 65.443 1.0000 0.0000 1.13636E-02 0.6997 48 1
9603 . 77.21400 93.000 65.418 1.0000 0.0000 1.07527E-02 0.7002 48 1
9604 . 77.22100 94.000 65.395 1.0000 0.0000 1.06383E-02 0.7002 48 1
9605 . 77.22800 96.000 65.374 1.0000 0.0000 1.04167E-02 0.6997 48 1
9606 . 77.23500 98.000 65.354 1.0000 0.0000 1.02041E-02 0.7002 48 1
9607 . 77.24200 102.00 65.336 1.0000 0.0000 9.80392E-03 0.6997 48 1
9608 . 77.24900 92.000 65.318 1.0000 0.0000 1.08696E-02 0.7002 48 1
9609 . 77.25600 91.000 65.301 1.0000 0.0000 1.09890E-02 0.7002 48 1
9610 . 77.26300 80.000 65.285 1.0000 0.0000 1.25000E-02 0.6997 48 1
9611 . 77.27000 96.000 65.269 1.0000 0.0000 1.04167E-02 0.7002 48 1
9612 . 77.27700 101.00 65.254 1.0000 0.0000 9.90099E-03 0.6997 48 1
9613 . 77.28400 102.00 65.239 1.0000 0.0000 9.80392E-03 0.7002 48 1
9614 . 77.29100 86.000 65.225 1.0000 0.0000 1.16279E-02 0.7002 48 1
9615 . 77.29800 100.00 65.211 1.0000 0.0000 1.00000E-02 0.6997 48 1
9616 . 77.30500 95.000 65.198 1.0000 0.0000 1.05263E-02 0.7002 48 1
9617 . 77.31200 96.000 65.185 1.0000 0.0000 1.04167E-02 0.6997 48 1
9618 . 77.31900 90.000 65.171 1.0000 0.0000 1.11111E-02 0.7002 48 1
9619 . 77.32600 82.000 65.159 1.0000 0.0000 1.21951E-02 0.7002 48 1
9620 . 77.33300 87.000 65.146 1.0000 0.0000 1.14943E-02 0.6997 48 1
9621 B 77.34000 99.000 65.098 1.0000 0.0000 1.01010E-02 0.7002 0 1
9622 B 77.34700 106.00 65.088 1.0000 0.0000 9.43396E-03 0.6997 0 1
9623 B 77.35400 89.000 65.077 1.0000 0.0000 1.12360E-02 0.7002 0 1
9624 B 77.36100 79.000 65.067 1.0000 0.0000 1.26582E-02 0.7002 0 1
9625 B 77.36800 98.000 65.056 1.0000 0.0000 1.02041E-02 0.6997 0 1
9626 B 77.37500 94.000 65.046 1.0000 0.0000 1.06383E-02 0.7002 0 1
9627 B 77.38200 98.000 65.035 1.0000 0.0000 1.02041E-02 0.6997 0 1
9628 B 77.38900 92.000 65.025 1.0000 0.0000 1.08696E-02 0.7002 0 1
9629 B 77.39600 89.000 65.014 1.0000 0.0000 1.12360E-02 0.7002 0 1
9630 B 77.40300 91.000 65.004 1.0000 0.0000 1.09890E-02 0.6997 0 1
9631 B 77.41000 92.000 64.993 1.0000 0.0000 1.08696E-02 0.7002 0 1
9632 B 77.41700 98.000 64.983 1.0000 0.0000 1.02041E-02 0.6997 0 1
9633 B 77.42400 94.000 64.972 1.0000 0.0000 1.06383E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 171
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9634 B 77.43100 89.000 64.962 1.0000 0.0000 1.12360E-02 0.7002 0 1
9635 B 77.43800 89.000 64.952 1.0000 0.0000 1.12360E-02 0.6997 0 1
9636 B 77.44500 90.000 64.941 1.0000 0.0000 1.11111E-02 0.7002 0 1
9637 B 77.45200 85.000 64.931 1.0000 0.0000 1.17647E-02 0.6997 0 1
9638 B 77.45900 88.000 64.920 1.0000 0.0000 1.13636E-02 0.7002 0 1
9639 B 77.46600 87.000 64.910 1.0000 0.0000 1.14943E-02 0.7002 0 1
9640 B 77.47300 95.000 64.899 1.0000 0.0000 1.05263E-02 0.6997 0 1
9641 B 77.48000 88.000 64.889 1.0000 0.0000 1.13636E-02 0.7002 0 1
9642 B 77.48700 78.000 64.879 1.0000 0.0000 1.28205E-02 0.6997 0 1
9643 B 77.49400 112.00 64.868 1.0000 0.0000 8.92857E-03 0.7002 0 1
9644 B 77.50100 77.000 64.858 1.0000 0.0000 1.29870E-02 0.7002 0 1
9645 B 77.50800 79.000 64.847 1.0000 0.0000 1.26582E-02 0.6997 0 1
9646 B 77.51500 105.00 64.837 1.0000 0.0000 9.52381E-03 0.7002 0 1
9647 B 77.52200 99.000 64.827 1.0000 0.0000 1.01010E-02 0.6997 0 1
9648 B 77.52900 103.00 64.816 1.0000 0.0000 9.70874E-03 0.7002 0 1
9649 B 77.53600 97.000 64.806 1.0000 0.0000 1.03093E-02 0.7002 0 1
9650 B 77.54300 90.000 64.795 1.0000 0.0000 1.11111E-02 0.6997 0 1
9651 B 77.55000 86.000 64.785 1.0000 0.0000 1.16279E-02 0.7002 0 1
9652 B 77.55700 82.000 64.775 1.0000 0.0000 1.21951E-02 0.6997 0 1
9653 B 77.56400 96.000 64.764 1.0000 0.0000 1.04167E-02 0.7002 0 1
9654 B 77.57100 89.000 64.754 1.0000 0.0000 1.12360E-02 0.7002 0 1
9655 B 77.57800 91.000 64.743 1.0000 0.0000 1.09890E-02 0.6997 0 1
9656 B 77.58500 92.000 64.733 1.0000 0.0000 1.08696E-02 0.7002 0 1
9657 B 77.59200 86.000 64.723 1.0000 0.0000 1.16279E-02 0.6997 0 1
9658 B 77.59900 82.000 64.712 1.0000 0.0000 1.21951E-02 0.7002 0 1
9659 B 77.60600 78.000 64.702 1.0000 0.0000 1.28205E-02 0.7002 0 1
9660 B 77.61300 87.000 64.692 1.0000 0.0000 1.14943E-02 0.6997 0 1
9661 B 77.62000 85.000 64.681 1.0000 0.0000 1.17647E-02 0.7002 0 1
9662 B 77.62700 88.000 64.671 1.0000 0.0000 1.13636E-02 0.6997 0 1
9663 B 77.63400 83.000 64.661 1.0000 0.0000 1.20482E-02 0.7002 0 1
9664 B 77.64100 82.000 64.650 1.0000 0.0000 1.21951E-02 0.7002 0 1
9665 B 77.64799 90.000 64.640 1.0000 0.0000 1.11111E-02 0.6997 0 1
9666 B 77.65500 91.000 64.630 1.0000 0.0000 1.09890E-02 0.7002 0 1
9667 B 77.66200 84.000 64.619 1.0000 0.0000 1.19048E-02 0.6997 0 1
9668 B 77.66900 94.000 64.609 1.0000 0.0000 1.06383E-02 0.7002 0 1
9669 B 77.67600 83.000 64.599 1.0000 0.0000 1.20482E-02 0.7002 0 1
9670 B 77.68300 95.000 64.588 1.0000 0.0000 1.05263E-02 0.6997 0 1
9671 B 77.69000 93.000 64.578 1.0000 0.0000 1.07527E-02 0.7002 0 1
9672 B 77.69700 91.000 64.568 1.0000 0.0000 1.09890E-02 0.6997 0 1
9673 B 77.70400 83.000 64.557 1.0000 0.0000 1.20482E-02 0.7002 0 1
9674 B 77.71100 87.000 64.547 1.0000 0.0000 1.14943E-02 0.7002 0 1
9675 B 77.71799 89.000 64.537 1.0000 0.0000 1.12360E-02 0.6997 0 1
9676 B 77.72500 73.000 64.526 1.0000 0.0000 1.36986E-02 0.7002 0 1
9677 B 77.73200 90.000 64.516 1.0000 0.0000 1.11111E-02 0.6997 0 1
9678 B 77.73900 85.000 64.506 1.0000 0.0000 1.17647E-02 0.7002 0 1
9679 B 77.74600 77.000 64.495 1.0000 0.0000 1.29870E-02 0.7002 0 1
9680 B 77.75300 83.000 64.485 1.0000 0.0000 1.20482E-02 0.6997 0 1
9681 B 77.76000 79.000 64.475 1.0000 0.0000 1.26582E-02 0.7002 0 1
9682 B 77.76700 84.000 64.464 1.0000 0.0000 1.19048E-02 0.6997 0 1
9683 B 77.77400 83.000 64.454 1.0000 0.0000 1.20482E-02 0.7002 0 1
9684 B 77.78100 90.000 64.444 1.0000 0.0000 1.11111E-02 0.7002 0 1
9685 B 77.78799 88.000 64.434 1.0000 0.0000 1.13636E-02 0.6997 0 1
9686 B 77.79500 79.000 64.423 1.0000 0.0000 1.26582E-02 0.7002 0 1
9687 B 77.80200 82.000 64.413 1.0000 0.0000 1.21951E-02 0.6997 0 1
9688 B 77.80900 79.000 64.403 1.0000 0.0000 1.26582E-02 0.7002 0 1
9689 B 77.81600 89.000 64.392 1.0000 0.0000 1.12360E-02 0.7002 0 1
9690 B 77.82300 70.000 64.382 1.0000 0.0000 1.42857E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 172
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9691 B 77.83000 84.000 64.372 1.0000 0.0000 1.19048E-02 0.7002 0 1
9692 B 77.83701 68.000 64.362 1.0000 0.0000 1.47059E-02 0.6997 0 1
9693 B 77.84400 83.000 64.351 1.0000 0.0000 1.20482E-02 0.7002 0 1
9694 B 77.85100 86.000 64.341 1.0000 0.0000 1.16279E-02 0.7002 0 1
9695 B 77.85800 94.000 64.331 1.0000 0.0000 1.06383E-02 0.6997 0 1
9696 B 77.86500 88.000 64.321 1.0000 0.0000 1.13636E-02 0.7002 0 1
9697 B 77.87200 85.000 64.310 1.0000 0.0000 1.17647E-02 0.6997 0 1
9698 B 77.87900 81.000 64.300 1.0000 0.0000 1.23457E-02 0.7002 0 1
9699 B 77.88600 74.000 64.290 1.0000 0.0000 1.35135E-02 0.7002 0 1
9700 B 77.89300 82.000 64.280 1.0000 0.0000 1.21951E-02 0.6997 0 1
9701 B 77.90000 75.000 64.269 1.0000 0.0000 1.33333E-02 0.7002 0 1
9702 B 77.90701 71.000 64.259 1.0000 0.0000 1.40845E-02 0.6997 0 1
9703 B 77.91400 77.000 64.249 1.0000 0.0000 1.29870E-02 0.7002 0 1
9704 B 77.92100 71.000 64.239 1.0000 0.0000 1.40845E-02 0.7002 0 1
9705 B 77.92800 84.000 64.229 1.0000 0.0000 1.19048E-02 0.6997 0 1
9706 B 77.93500 78.000 64.218 1.0000 0.0000 1.28205E-02 0.7002 0 1
9707 B 77.94200 75.000 64.208 1.0000 0.0000 1.33333E-02 0.6997 0 1
9708 B 77.94900 70.000 64.198 1.0000 0.0000 1.42857E-02 0.7002 0 1
9709 B 77.95600 83.000 64.188 1.0000 0.0000 1.20482E-02 0.7002 0 1
9710 B 77.96300 86.000 64.177 1.0000 0.0000 1.16279E-02 0.6997 0 1
9711 B 77.97000 83.000 64.167 1.0000 0.0000 1.20482E-02 0.7002 0 1
9712 B 77.97701 80.000 64.157 1.0000 0.0000 1.25000E-02 0.6997 0 1
9713 B 77.98400 80.000 64.147 1.0000 0.0000 1.25000E-02 0.7002 0 1
9714 B 77.99100 90.000 64.137 1.0000 0.0000 1.11111E-02 0.7002 0 1
9715 B 77.99800 75.000 64.126 1.0000 0.0000 1.33333E-02 0.6997 0 1
9716 B 78.00500 71.000 64.116 1.0000 0.0000 1.40845E-02 0.7002 0 1
9717 B 78.01200 76.000 64.106 1.0000 0.0000 1.31579E-02 0.6997 0 1
9718 B 78.01900 73.000 64.096 1.0000 0.0000 1.36986E-02 0.7002 0 1
9719 B 78.02600 81.000 64.086 1.0000 0.0000 1.23457E-02 0.7002 0 1
9720 B 78.03300 66.000 64.076 1.0000 0.0000 1.51515E-02 0.6997 0 1
9721 B 78.04000 61.000 64.065 1.0000 0.0000 1.63934E-02 0.7002 0 1
9722 B 78.04700 72.000 64.055 1.0000 0.0000 1.38889E-02 0.6997 0 1
9723 B 78.05400 71.000 64.045 1.0000 0.0000 1.40845E-02 0.7002 0 1
9724 B 78.06100 71.000 64.035 1.0000 0.0000 1.40845E-02 0.7002 0 1
9725 B 78.06800 73.000 64.025 1.0000 0.0000 1.36986E-02 0.6997 0 1
9726 B 78.07500 76.000 64.015 1.0000 0.0000 1.31579E-02 0.7002 0 1
9727 B 78.08200 75.000 64.004 1.0000 0.0000 1.33333E-02 0.6997 0 1
9728 B 78.08900 70.000 63.994 1.0000 0.0000 1.42857E-02 0.7002 0 1
9729 B 78.09600 66.000 63.984 1.0000 0.0000 1.51515E-02 0.7002 0 1
9730 B 78.10300 72.000 63.974 1.0000 0.0000 1.38889E-02 0.6997 0 1
9731 B 78.11000 63.000 63.964 1.0000 0.0000 1.58730E-02 0.7002 0 1
9732 B 78.11700 75.000 63.954 1.0000 0.0000 1.33333E-02 0.6997 0 1
9733 B 78.12400 90.000 63.944 1.0000 0.0000 1.11111E-02 0.7002 0 1
9734 B 78.13100 86.000 63.933 1.0000 0.0000 1.16279E-02 0.7002 0 1
9735 B 78.13800 79.000 63.923 1.0000 0.0000 1.26582E-02 0.6997 0 1
9736 B 78.14500 74.000 63.913 1.0000 0.0000 1.35135E-02 0.7002 0 1
9737 B 78.15200 70.000 63.903 1.0000 0.0000 1.42857E-02 0.6997 0 1
9738 B 78.15900 70.000 63.893 1.0000 0.0000 1.42857E-02 0.7002 0 1
9739 B 78.16600 82.000 63.883 1.0000 0.0000 1.21951E-02 0.7002 0 1
9740 B 78.17300 87.000 63.873 1.0000 0.0000 1.14943E-02 0.6997 0 1
9741 B 78.18000 81.000 63.863 1.0000 0.0000 1.23457E-02 0.7002 0 1
9742 B 78.18700 78.000 63.852 1.0000 0.0000 1.28205E-02 0.6997 0 1
9743 B 78.19400 69.000 63.842 1.0000 0.0000 1.44928E-02 0.7002 0 1
9744 B 78.20100 76.000 63.832 1.0000 0.0000 1.31579E-02 0.7002 0 1
9745 B 78.20800 72.000 63.822 1.0000 0.0000 1.38889E-02 0.6997 0 1
9746 B 78.21500 68.000 63.812 1.0000 0.0000 1.47059E-02 0.7002 0 1
9747 B 78.22200 78.000 63.802 1.0000 0.0000 1.28205E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 173
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9748 B 78.22900 69.000 63.792 1.0000 0.0000 1.44928E-02 0.7002 0 1
9749 B 78.23600 75.000 63.782 1.0000 0.0000 1.33333E-02 0.7002 0 1
9750 B 78.24300 80.000 63.772 1.0000 0.0000 1.25000E-02 0.6997 0 1
9751 B 78.25000 77.000 63.762 1.0000 0.0000 1.29870E-02 0.7002 0 1
9752 B 78.25700 73.000 63.752 1.0000 0.0000 1.36986E-02 0.6997 0 1
9753 B 78.26400 77.000 63.741 1.0000 0.0000 1.29870E-02 0.7002 0 1
9754 B 78.27100 62.000 63.731 1.0000 0.0000 1.61290E-02 0.7002 0 1
9755 B 78.27800 77.000 63.721 1.0000 0.0000 1.29870E-02 0.6997 0 1
9756 B 78.28500 83.000 63.711 1.0000 0.0000 1.20482E-02 0.7002 0 1
9757 B 78.29200 73.000 63.701 1.0000 0.0000 1.36986E-02 0.6997 0 1
9758 B 78.29900 76.000 63.691 1.0000 0.0000 1.31579E-02 0.7002 0 1
9759 B 78.30600 74.000 63.681 1.0000 0.0000 1.35135E-02 0.7002 0 1
9760 B 78.31300 78.000 63.671 1.0000 0.0000 1.28205E-02 0.6997 0 1
9761 B 78.32000 78.000 63.661 1.0000 0.0000 1.28205E-02 0.7002 0 1
9762 B 78.32700 75.000 63.651 1.0000 0.0000 1.33333E-02 0.6997 0 1
9763 B 78.33400 83.000 63.641 1.0000 0.0000 1.20482E-02 0.7002 0 1
9764 B 78.34100 78.000 63.631 1.0000 0.0000 1.28205E-02 0.7002 0 1
9765 B 78.34800 67.000 63.621 1.0000 0.0000 1.49254E-02 0.6997 0 1
9766 B 78.35500 63.000 63.611 1.0000 0.0000 1.58730E-02 0.7002 0 1
9767 B 78.36200 68.000 63.601 1.0000 0.0000 1.47059E-02 0.6997 0 1
9768 B 78.36900 76.000 63.591 1.0000 0.0000 1.31579E-02 0.7002 0 1
9769 B 78.37600 65.000 63.581 1.0000 0.0000 1.53846E-02 0.7002 0 1
9770 B 78.38300 67.000 63.571 1.0000 0.0000 1.49254E-02 0.6997 0 1
9771 B 78.39000 70.000 63.561 1.0000 0.0000 1.42857E-02 0.7002 0 1
9772 B 78.39700 70.000 63.551 1.0000 0.0000 1.42857E-02 0.6997 0 1
9773 B 78.40400 78.000 63.541 1.0000 0.0000 1.28205E-02 0.7002 0 1
9774 B 78.41100 66.000 63.531 1.0000 0.0000 1.51515E-02 0.7002 0 1
9775 B 78.41800 62.000 63.521 1.0000 0.0000 1.61290E-02 0.6997 0 1
9776 B 78.42500 63.000 63.511 1.0000 0.0000 1.58730E-02 0.7002 0 1
9777 B 78.43200 61.000 63.501 1.0000 0.0000 1.63934E-02 0.6997 0 1
9778 B 78.43900 86.000 63.491 1.0000 0.0000 1.16279E-02 0.7002 0 1
9779 B 78.44600 78.000 63.481 1.0000 0.0000 1.28205E-02 0.7002 0 1
9780 B 78.45300 78.000 63.471 1.0000 0.0000 1.28205E-02 0.6997 0 1
9781 B 78.46000 80.000 63.461 1.0000 0.0000 1.25000E-02 0.7002 0 1
9782 B 78.46700 75.000 63.451 1.0000 0.0000 1.33333E-02 0.6997 0 1
9783 B 78.47400 74.000 63.441 1.0000 0.0000 1.35135E-02 0.7002 0 1
9784 B 78.48100 87.000 63.431 1.0000 0.0000 1.14943E-02 0.7002 0 1
9785 B 78.48800 67.000 63.421 1.0000 0.0000 1.49254E-02 0.6997 0 1
9786 B 78.49500 78.000 63.411 1.0000 0.0000 1.28205E-02 0.7002 0 1
9787 B 78.50200 80.000 63.401 1.0000 0.0000 1.25000E-02 0.6997 0 1
9788 B 78.50900 71.000 63.391 1.0000 0.0000 1.40845E-02 0.7002 0 1
9789 B 78.51600 62.000 63.381 1.0000 0.0000 1.61290E-02 0.7002 0 1
9790 B 78.52299 68.000 63.371 1.0000 0.0000 1.47059E-02 0.6997 0 1
9791 B 78.53000 69.000 63.361 1.0000 0.0000 1.44928E-02 0.7002 0 1
9792 B 78.53700 70.000 63.351 1.0000 0.0000 1.42857E-02 0.6997 0 1
9793 B 78.54400 87.000 63.341 1.0000 0.0000 1.14943E-02 0.7002 0 1
9794 B 78.55100 63.000 63.331 1.0000 0.0000 1.58730E-02 0.7002 0 1
9795 B 78.55800 70.000 63.321 1.0000 0.0000 1.42857E-02 0.6997 0 1
9796 B 78.56500 72.000 63.311 1.0000 0.0000 1.38889E-02 0.7002 0 1
9797 B 78.57200 73.000 63.301 1.0000 0.0000 1.36986E-02 0.6997 0 1
9798 B 78.57900 72.000 63.291 1.0000 0.0000 1.38889E-02 0.7002 0 1
9799 B 78.58600 69.000 63.281 1.0000 0.0000 1.44928E-02 0.7002 0 1
9800 B 78.59299 69.000 63.271 1.0000 0.0000 1.44928E-02 0.6997 0 1
9801 B 78.60000 71.000 63.261 1.0000 0.0000 1.40845E-02 0.7002 0 1
9802 B 78.60700 77.000 63.251 1.0000 0.0000 1.29870E-02 0.6997 0 1
9803 B 78.61400 81.000 63.242 1.0000 0.0000 1.23457E-02 0.7002 0 1
9804 B 78.62100 86.000 63.232 1.0000 0.0000 1.16279E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 174
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9805 B 78.62800 81.000 63.222 1.0000 0.0000 1.23457E-02 0.6997 0 1
9806 B 78.63500 69.000 63.212 1.0000 0.0000 1.44928E-02 0.7002 0 1
9807 B 78.64200 75.000 63.202 1.0000 0.0000 1.33333E-02 0.6997 0 1
9808 B 78.64900 77.000 63.192 1.0000 0.0000 1.29870E-02 0.7002 0 1
9809 B 78.65600 76.000 63.182 1.0000 0.0000 1.31579E-02 0.7002 0 1
9810 B 78.66299 82.000 63.172 1.0000 0.0000 1.21951E-02 0.6997 0 1
9811 B 78.67000 78.000 63.162 1.0000 0.0000 1.28205E-02 0.7002 0 1
9812 B 78.67700 84.000 63.152 1.0000 0.0000 1.19048E-02 0.6997 0 1
9813 B 78.68400 71.000 63.143 1.0000 0.0000 1.40845E-02 0.7002 0 1
9814 B 78.69100 60.000 63.133 1.0000 0.0000 1.66667E-02 0.7002 0 1
9815 B 78.69800 65.000 63.123 1.0000 0.0000 1.53846E-02 0.6997 0 1
9816 B 78.70500 74.000 63.113 1.0000 0.0000 1.35135E-02 0.7002 0 1
9817 B 78.71201 74.000 63.103 1.0000 0.0000 1.35135E-02 0.6997 0 1
9818 B 78.71900 81.000 63.093 1.0000 0.0000 1.23457E-02 0.7002 0 1
9819 B 78.72600 77.000 63.083 1.0000 0.0000 1.29870E-02 0.7002 0 1
9820 B 78.73300 66.000 63.073 1.0000 0.0000 1.51515E-02 0.6997 0 1
9821 B 78.74000 78.000 63.064 1.0000 0.0000 1.28205E-02 0.7002 0 1
9822 B 78.74700 76.000 63.054 1.0000 0.0000 1.31579E-02 0.6997 0 1
9823 B 78.75400 72.000 63.044 1.0000 0.0000 1.38889E-02 0.7002 0 1
9824 B 78.76100 69.000 63.034 1.0000 0.0000 1.44928E-02 0.7002 0 1
9825 B 78.76800 76.000 63.024 1.0000 0.0000 1.31579E-02 0.6997 0 1
9826 B 78.77500 80.000 63.014 1.0000 0.0000 1.25000E-02 0.7002 0 1
9827 B 78.78201 61.000 63.004 1.0000 0.0000 1.63934E-02 0.6997 0 1
9828 B 78.78900 73.000 62.995 1.0000 0.0000 1.36986E-02 0.7002 0 1
9829 B 78.79600 70.000 62.985 1.0000 0.0000 1.42857E-02 0.7002 0 1
9830 B 78.80300 78.000 62.975 1.0000 0.0000 1.28205E-02 0.6997 0 1
9831 B 78.81000 84.000 62.965 1.0000 0.0000 1.19048E-02 0.7002 0 1
9832 B 78.81700 67.000 62.955 1.0000 0.0000 1.49254E-02 0.6997 0 1
9833 B 78.82400 74.000 62.945 1.0000 0.0000 1.35135E-02 0.7002 0 1
9834 B 78.83100 85.000 62.936 1.0000 0.0000 1.17647E-02 0.7002 0 1
9835 B 78.83800 70.000 62.926 1.0000 0.0000 1.42857E-02 0.6997 0 1
9836 B 78.84500 75.000 62.916 1.0000 0.0000 1.33333E-02 0.7002 0 1
9837 B 78.85201 79.000 62.906 1.0000 0.0000 1.26582E-02 0.6997 0 1
9838 B 78.85900 68.000 62.896 1.0000 0.0000 1.47059E-02 0.7002 0 1
9839 B 78.86600 72.000 62.886 1.0000 0.0000 1.38889E-02 0.7002 0 1
9840 B 78.87300 85.000 62.877 1.0000 0.0000 1.17647E-02 0.6997 0 1
9841 B 78.88000 76.000 62.867 1.0000 0.0000 1.31579E-02 0.7002 0 1
9842 B 78.88700 76.000 62.857 1.0000 0.0000 1.31579E-02 0.6997 0 1
9843 B 78.89400 103.00 62.847 1.0000 0.0000 9.70874E-03 0.7002 0 1
9844 B 78.90100 71.000 62.837 1.0000 0.0000 1.40845E-02 0.7002 0 1
9845 B 78.90800 81.000 62.828 1.0000 0.0000 1.23457E-02 0.6997 0 1
9846 B 78.91500 74.000 62.818 1.0000 0.0000 1.35135E-02 0.7002 0 1
9847 B 78.92200 82.000 62.808 1.0000 0.0000 1.21951E-02 0.6997 0 1
9848 B 78.92900 83.000 62.798 1.0000 0.0000 1.20482E-02 0.7002 0 1
9849 B 78.93600 83.000 62.788 1.0000 0.0000 1.20482E-02 0.7002 0 1
9850 B 78.94300 83.000 62.779 1.0000 0.0000 1.20482E-02 0.6997 0 1
9851 B 78.95000 76.000 62.769 1.0000 0.0000 1.31579E-02 0.7002 0 1
9852 B 78.95700 77.000 62.759 1.0000 0.0000 1.29870E-02 0.6997 0 1
9853 B 78.96400 83.000 62.749 1.0000 0.0000 1.20482E-02 0.7002 0 1
9854 B 78.97100 93.000 62.740 1.0000 0.0000 1.07527E-02 0.7002 0 1
9855 B 78.97800 92.000 62.730 1.0000 0.0000 1.08696E-02 0.6997 0 1
9856 B 78.98500 81.000 62.720 1.0000 0.0000 1.23457E-02 0.7002 0 1
9857 B 78.99200 81.000 62.710 1.0000 0.0000 1.23457E-02 0.6997 0 1
9858 B 78.99900 78.000 62.701 1.0000 0.0000 1.28205E-02 0.7002 0 1
9859 B 79.00600 77.000 62.691 1.0000 0.0000 1.29870E-02 0.7002 0 1
9860 B 79.01300 77.000 62.681 1.0000 0.0000 1.29870E-02 0.6997 0 1
9861 B 79.02000 89.000 62.671 1.0000 0.0000 1.12360E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 175
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9862 B 79.02700 86.000 62.662 1.0000 0.0000 1.16279E-02 0.6997 0 1
9863 B 79.03400 78.000 62.652 1.0000 0.0000 1.28205E-02 0.7002 0 1
9864 B 79.04100 71.000 62.642 1.0000 0.0000 1.40845E-02 0.7002 0 1
9865 B 79.04800 64.000 62.632 1.0000 0.0000 1.56250E-02 0.6997 0 1
9866 B 79.05500 71.000 62.623 1.0000 0.0000 1.40845E-02 0.7002 0 1
9867 B 79.06200 79.000 62.613 1.0000 0.0000 1.26582E-02 0.6997 0 1
9868 B 79.06900 75.000 62.603 1.0000 0.0000 1.33333E-02 0.7002 0 1
9869 B 79.07600 78.000 62.594 1.0000 0.0000 1.28205E-02 0.7002 0 1
9870 B 79.08300 69.000 62.584 1.0000 0.0000 1.44928E-02 0.6997 0 1
9871 B 79.09000 74.000 62.574 1.0000 0.0000 1.35135E-02 0.7002 0 1
9872 B 79.09700 80.000 62.564 1.0000 0.0000 1.25000E-02 0.6997 0 1
9873 B 79.10400 75.000 62.555 1.0000 0.0000 1.33333E-02 0.7002 0 1
9874 B 79.11100 75.000 62.545 1.0000 0.0000 1.33333E-02 0.7002 0 1
9875 B 79.11800 65.000 62.535 1.0000 0.0000 1.53846E-02 0.6997 0 1
9876 B 79.12500 84.000 62.526 1.0000 0.0000 1.19048E-02 0.7002 0 1
9877 B 79.13200 81.000 62.516 1.0000 0.0000 1.23457E-02 0.6997 0 1
9878 B 79.13900 75.000 62.506 1.0000 0.0000 1.33333E-02 0.7002 0 1
9879 B 79.14600 81.000 62.497 1.0000 0.0000 1.23457E-02 0.7002 0 1
9880 B 79.15300 76.000 62.487 1.0000 0.0000 1.31579E-02 0.6997 0 1
9881 B 79.16000 72.000 62.477 1.0000 0.0000 1.38889E-02 0.7002 0 1
9882 B 79.16700 69.000 62.467 1.0000 0.0000 1.44928E-02 0.6997 0 1
9883 B 79.17400 85.000 62.458 1.0000 0.0000 1.17647E-02 0.7002 0 1
9884 B 79.18100 81.000 62.448 1.0000 0.0000 1.23457E-02 0.7002 0 1
9885 B 79.18800 82.000 62.438 1.0000 0.0000 1.21951E-02 0.6997 0 1
9886 B 79.19500 87.000 62.429 1.0000 0.0000 1.14943E-02 0.7002 0 1
9887 B 79.20200 69.000 62.419 1.0000 0.0000 1.44928E-02 0.6997 0 1
9888 B 79.20900 80.000 62.409 1.0000 0.0000 1.25000E-02 0.7002 0 1
9889 B 79.21600 75.000 62.400 1.0000 0.0000 1.33333E-02 0.7002 0 1
9890 B 79.22300 68.000 62.390 1.0000 0.0000 1.47059E-02 0.6997 0 1
9891 B 79.23000 70.000 62.380 1.0000 0.0000 1.42857E-02 0.7002 0 1
9892 B 79.23700 85.000 62.371 1.0000 0.0000 1.17647E-02 0.6997 0 1
9893 B 79.24400 73.000 62.361 1.0000 0.0000 1.36986E-02 0.7002 0 1
9894 B 79.25100 74.000 62.352 1.0000 0.0000 1.35135E-02 0.7002 0 1
9895 B 79.25800 75.000 62.342 1.0000 0.0000 1.33333E-02 0.6997 0 1
9896 B 79.26500 73.000 62.332 1.0000 0.0000 1.36986E-02 0.7002 0 1
9897 B 79.27200 84.000 62.323 1.0000 0.0000 1.19048E-02 0.6997 0 1
9898 B 79.27900 81.000 62.313 1.0000 0.0000 1.23457E-02 0.7002 0 1
9899 B 79.28600 87.000 62.303 1.0000 0.0000 1.14943E-02 0.7002 0 1
9900 B 79.29300 79.000 62.294 1.0000 0.0000 1.26582E-02 0.6997 0 1
9901 B 79.30000 82.000 62.284 1.0000 0.0000 1.21951E-02 0.7002 0 1
9902 B 79.30700 91.000 62.275 1.0000 0.0000 1.09890E-02 0.6997 0 1
9903 B 79.31400 87.000 62.265 1.0000 0.0000 1.14943E-02 0.7002 0 1
9904 B 79.32100 93.000 62.255 1.0000 0.0000 1.07527E-02 0.7002 0 1
9905 B 79.32800 79.000 62.246 1.0000 0.0000 1.26582E-02 0.6997 0 1
9906 B 79.33500 88.000 62.236 1.0000 0.0000 1.13636E-02 0.7002 0 1
9907 B 79.34200 90.000 62.226 1.0000 0.0000 1.11111E-02 0.6997 0 1
9908 B 79.34900 85.000 62.217 1.0000 0.0000 1.17647E-02 0.7002 0 1
9909 B 79.35600 79.000 62.207 1.0000 0.0000 1.26582E-02 0.7002 0 1
9910 B 79.36300 71.000 62.198 1.0000 0.0000 1.40845E-02 0.6997 0 1
9911 B 79.37000 75.000 62.188 1.0000 0.0000 1.33333E-02 0.7002 0 1
9912 B 79.37700 80.000 62.179 1.0000 0.0000 1.25000E-02 0.6997 0 1
9913 B 79.38400 68.000 62.169 1.0000 0.0000 1.47059E-02 0.7002 0 1
9914 B 79.39100 85.000 62.159 1.0000 0.0000 1.17647E-02 0.7002 0 1
9915 B 79.39799 93.000 62.150 1.0000 0.0000 1.07527E-02 0.6997 0 1
9916 B 79.40500 88.000 62.140 1.0000 0.0000 1.13636E-02 0.7002 0 1
9917 B 79.41200 83.000 62.131 1.0000 0.0000 1.20482E-02 0.6997 0 1
9918 B 79.41900 96.000 62.121 1.0000 0.0000 1.04167E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 176
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9919 B 79.42600 77.000 62.112 1.0000 0.0000 1.29870E-02 0.7002 0 1
9920 B 79.43300 80.000 62.102 1.0000 0.0000 1.25000E-02 0.6997 0 1
9921 B 79.44000 85.000 62.092 1.0000 0.0000 1.17647E-02 0.7002 0 1
9922 B 79.44700 85.000 62.083 1.0000 0.0000 1.17647E-02 0.6997 0 1
9923 B 79.45400 79.000 62.073 1.0000 0.0000 1.26582E-02 0.7002 0 1
9924 B 79.46100 77.000 62.064 1.0000 0.0000 1.29870E-02 0.7002 0 1
9925 B 79.46799 72.000 62.054 1.0000 0.0000 1.38889E-02 0.6997 0 1
9926 B 79.47500 80.000 62.045 1.0000 0.0000 1.25000E-02 0.7002 0 1
9927 B 79.48200 78.000 62.035 1.0000 0.0000 1.28205E-02 0.6997 0 1
9928 B 79.48900 80.000 62.026 1.0000 0.0000 1.25000E-02 0.7002 0 1
9929 B 79.49600 77.000 62.016 1.0000 0.0000 1.29870E-02 0.7002 0 1
9930 B 79.50300 77.000 62.007 1.0000 0.0000 1.29870E-02 0.6997 0 1
9931 B 79.51000 90.000 61.997 1.0000 0.0000 1.11111E-02 0.7002 0 1
9932 B 79.51700 74.000 61.987 1.0000 0.0000 1.35135E-02 0.6997 0 1
9933 B 79.52400 73.000 61.978 1.0000 0.0000 1.36986E-02 0.7002 0 1
9934 B 79.53100 73.000 61.968 1.0000 0.0000 1.36986E-02 0.7002 0 1
9935 B 79.53799 79.000 61.959 1.0000 0.0000 1.26582E-02 0.6997 0 1
9936 B 79.54500 88.000 61.949 1.0000 0.0000 1.13636E-02 0.7002 0 1
9937 B 79.55200 69.000 61.940 1.0000 0.0000 1.44928E-02 0.6997 0 1
9938 B 79.55900 52.000 61.930 1.0000 0.0000 1.92308E-02 0.7002 0 1
9939 B 79.56600 70.000 61.921 1.0000 0.0000 1.42857E-02 0.7002 0 1
9940 B 79.57300 82.000 61.911 1.0000 0.0000 1.21951E-02 0.6997 0 1
9941 B 79.58000 80.000 61.902 1.0000 0.0000 1.25000E-02 0.7002 0 1
9942 B 79.58701 69.000 61.892 1.0000 0.0000 1.44928E-02 0.6997 0 1
9943 B 79.59400 71.000 61.883 1.0000 0.0000 1.40845E-02 0.7002 0 1
9944 B 79.60100 82.000 61.873 1.0000 0.0000 1.21951E-02 0.7002 0 1
9945 B 79.60800 79.000 61.864 1.0000 0.0000 1.26582E-02 0.6997 0 1
9946 B 79.61500 88.000 61.854 1.0000 0.0000 1.13636E-02 0.7002 0 1
9947 B 79.62200 82.000 61.845 1.0000 0.0000 1.21951E-02 0.6997 0 1
9948 B 79.62900 67.000 61.835 1.0000 0.0000 1.49254E-02 0.7002 0 1
9949 B 79.63600 75.000 61.826 1.0000 0.0000 1.33333E-02 0.7002 0 1
9950 B 79.64300 84.000 61.817 1.0000 0.0000 1.19048E-02 0.6997 0 1
9951 B 79.65000 91.000 61.807 1.0000 0.0000 1.09890E-02 0.7002 0 1
9952 B 79.65701 69.000 61.798 1.0000 0.0000 1.44928E-02 0.6997 0 1
9953 B 79.66400 83.000 61.788 1.0000 0.0000 1.20482E-02 0.7002 0 1
9954 B 79.67100 81.000 61.779 1.0000 0.0000 1.23457E-02 0.7002 0 1
9955 B 79.67800 83.000 61.769 1.0000 0.0000 1.20482E-02 0.6997 0 1
9956 B 79.68500 80.000 61.760 1.0000 0.0000 1.25000E-02 0.7002 0 1
9957 B 79.69200 86.000 61.750 1.0000 0.0000 1.16279E-02 0.6997 0 1
9958 B 79.69900 75.000 61.741 1.0000 0.0000 1.33333E-02 0.7002 0 1
9959 B 79.70600 70.000 61.731 1.0000 0.0000 1.42857E-02 0.7002 0 1
9960 B 79.71300 76.000 61.722 1.0000 0.0000 1.31579E-02 0.6997 0 1
9961 B 79.72000 79.000 61.713 1.0000 0.0000 1.26582E-02 0.7002 0 1
9962 B 79.72701 81.000 61.703 1.0000 0.0000 1.23457E-02 0.6997 0 1
9963 B 79.73400 94.000 61.694 1.0000 0.0000 1.06383E-02 0.7002 0 1
9964 B 79.74100 106.00 61.684 1.0000 0.0000 9.43396E-03 0.7002 0 1
9965 B 79.74800 69.000 61.675 1.0000 0.0000 1.44928E-02 0.6997 0 1
9966 B 79.75500 77.000 61.665 1.0000 0.0000 1.29870E-02 0.7002 0 1
9967 B 79.76200 101.00 61.656 1.0000 0.0000 9.90099E-03 0.6997 0 1
9968 B 79.76900 81.000 61.647 1.0000 0.0000 1.23457E-02 0.7002 0 1
9969 B 79.77600 81.000 61.637 1.0000 0.0000 1.23457E-02 0.7002 0 1
9970 B 79.78300 74.000 61.628 1.0000 0.0000 1.35135E-02 0.6997 0 1
9971 B 79.79000 81.000 61.618 1.0000 0.0000 1.23457E-02 0.7002 0 1
9972 B 79.79700 88.000 61.609 1.0000 0.0000 1.13636E-02 0.6997 0 1
9973 B 79.80400 83.000 61.600 1.0000 0.0000 1.20482E-02 0.7002 0 1
9974 B 79.81100 77.000 61.590 1.0000 0.0000 1.29870E-02 0.7002 0 1
9975 B 79.81800 86.000 61.581 1.0000 0.0000 1.16279E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 177
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
9976 B 79.82500 80.000 61.571 1.0000 0.0000 1.25000E-02 0.7002 0 1
9977 B 79.83200 75.000 61.562 1.0000 0.0000 1.33333E-02 0.6997 0 1
9978 B 79.83900 85.000 61.553 1.0000 0.0000 1.17647E-02 0.7002 0 1
9979 B 79.84600 96.000 61.543 1.0000 0.0000 1.04167E-02 0.7002 0 1
9980 B 79.85300 84.000 61.534 1.0000 0.0000 1.19048E-02 0.6997 0 1
9981 B 79.86000 92.000 61.524 1.0000 0.0000 1.08696E-02 0.7002 0 1
9982 B 79.86700 84.000 61.515 1.0000 0.0000 1.19048E-02 0.6997 0 1
9983 B 79.87400 79.000 61.506 1.0000 0.0000 1.26582E-02 0.7002 0 1
9984 B 79.88100 76.000 61.496 1.0000 0.0000 1.31579E-02 0.7002 0 1
9985 B 79.88800 78.000 61.487 1.0000 0.0000 1.28205E-02 0.6997 0 1
9986 B 79.89500 81.000 61.478 1.0000 0.0000 1.23457E-02 0.7002 0 1
9987 B 79.90200 78.000 61.468 1.0000 0.0000 1.28205E-02 0.6997 0 1
9988 B 79.90900 81.000 61.459 1.0000 0.0000 1.23457E-02 0.7002 0 1
9989 B 79.91600 80.000 61.450 1.0000 0.0000 1.25000E-02 0.7002 0 1
9990 B 79.92300 78.000 61.440 1.0000 0.0000 1.28205E-02 0.6997 0 1
9991 B 79.93000 81.000 61.431 1.0000 0.0000 1.23457E-02 0.7002 0 1
9992 B 79.93700 97.000 61.422 1.0000 0.0000 1.03093E-02 0.6997 0 1
9993 B 79.94400 93.000 61.412 1.0000 0.0000 1.07527E-02 0.7002 0 1
9994 B 79.95100 86.000 61.403 1.0000 0.0000 1.16279E-02 0.7002 0 1
9995 B 79.95800 92.000 61.394 1.0000 0.0000 1.08696E-02 0.6997 0 1
9996 B 79.96500 88.000 61.384 1.0000 0.0000 1.13636E-02 0.7002 0 1
9997 B 79.97200 83.000 61.375 1.0000 0.0000 1.20482E-02 0.6997 0 1
9998 B 79.97900 83.000 61.366 1.0000 0.0000 1.20482E-02 0.7002 0 1
9999 B 79.98600 89.000 61.356 1.0000 0.0000 1.12360E-02 0.7002 0 1
10000 B 79.99300 80.000 61.347 1.0000 0.0000 1.25000E-02 0.6997 0 1
10001 B 80.00000 75.000 61.338 1.0000 0.0000 1.33333E-02 0.7002 0 1
10002 . 80.00700 76.000 61.861 1.0000 0.0000 1.31579E-02 0.6997 49 1
10003 . 80.01400 74.000 61.882 1.0000 0.0000 1.35135E-02 0.7002 49 1
10004 . 80.02100 76.000 61.906 1.0000 0.0000 1.31579E-02 0.7002 49 1
10005 . 80.02800 74.000 61.933 1.0000 0.0000 1.35135E-02 0.6997 49 1
10006 . 80.03500 72.000 61.963 1.0000 0.0000 1.38889E-02 0.7002 49 1
10007 . 80.04200 91.000 61.997 1.0000 0.0000 1.09890E-02 0.6997 49 1
10008 . 80.04900 84.000 62.035 1.0000 0.0000 1.19048E-02 0.7002 49 1
10009 . 80.05600 100.00 62.078 1.0000 0.0000 1.00000E-02 0.7002 49 1
10010 . 80.06300 81.000 62.127 1.0000 0.0000 1.23457E-02 0.6997 49 1
10011 . 80.07000 71.000 62.182 1.0000 0.0000 1.40845E-02 0.7002 49 1
10012 . 80.07700 78.000 62.244 1.0000 0.0000 1.28205E-02 0.6997 49 1
10013 . 80.08400 86.000 62.315 1.0000 0.0000 1.16279E-02 0.7002 49 1
10014 . 80.09100 70.000 62.396 1.0000 0.0000 1.42857E-02 0.7002 49 1
10015 . 80.09800 70.000 62.488 1.0000 0.0000 1.42857E-02 0.6997 49 1
10016 . 80.10500 72.000 62.593 1.0000 0.0000 1.38889E-02 0.7002 49 1
10017 . 80.11200 74.000 62.715 1.0000 0.0000 1.35135E-02 0.6997 49 1
10018 . 80.11900 79.000 62.855 1.0000 0.0000 1.26582E-02 0.7002 49 1
10019 . 80.12600 84.000 63.018 1.0000 0.0000 1.19048E-02 0.7002 49 1
10020 . 80.13300 87.000 63.209 1.0000 0.0000 1.14943E-02 0.6997 49 1
10021 . 80.14000 89.000 63.436 1.0000 0.0000 1.12360E-02 0.7002 49 1
10022 . 80.14700 84.000 63.710 1.0000 0.0000 1.19048E-02 0.6997 49 1
10023 . 80.15400 65.000 64.051 1.0000 0.0000 1.53846E-02 0.7002 49 1
10024 . 80.16100 85.000 64.495 1.0000 0.0000 1.17647E-02 0.7002 49 1
10025 . 80.16800 65.000 65.108 1.0000 0.0000 1.53846E-02 0.6997 49 1
10026 . 80.17500 76.000 66.012 1.0000 0.0000 1.31579E-02 0.7002 49 1
10027 . 80.18200 89.000 67.404 1.0000 0.0000 1.12360E-02 0.6997 49 1
10028 . 80.18900 78.000 69.594 1.0000 0.0000 1.28205E-02 0.7002 49 1
10029 . 80.19600 74.000 73.016 1.0000 0.0000 1.35135E-02 0.7002 49 1
10030 . 80.20300 75.000 78.189 1.0000 0.0000 1.33333E-02 0.6997 49 1
10031 . 80.21000 80.000 85.648 1.0000 0.0000 1.25000E-02 0.7002 49 1
10032 . 80.21700 80.000 95.757 1.0000 0.0000 1.25000E-02 0.6997 49 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 178
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10033 . 80.22400 83.000 108.51 1.0000 0.0000 1.20482E-02 0.7002 49 1
10034 . 80.23100 73.000 123.34 1.0000 0.0000 1.36986E-02 0.7002 49 1
10035 . 80.23800 73.000 138.93 1.0000 0.0000 1.36986E-02 0.6997 49 1
10036 . 80.24500 80.000 153.41 1.0000 0.0000 1.25000E-02 0.7002 49 2
10037 .1 80.25200 83.000 163.42 1.0000 0.0000 1.20482E-02 0.6997 49 2
10038 . 80.25900 77.000 166.54 1.0000 0.0000 1.29870E-02 0.7002 49 2
10039 . 80.26600 69.000 161.78 1.0000 0.0000 1.44928E-02 0.7002 49 2
10040 . 80.27299 84.000 150.62 1.0000 0.0000 1.19048E-02 0.6997 49 2
10041 . 80.28000 77.000 135.89 1.0000 0.0000 1.29870E-02 0.7002 49 2
10042 . 80.28700 61.000 120.31 1.0000 0.0000 1.63934E-02 0.6997 49 2
10043 . 80.29400 83.000 105.85 1.0000 0.0000 1.20482E-02 0.7002 49 2
10044 . 80.30100 91.000 93.653 1.0000 0.0000 1.09890E-02 0.7002 49 2
10045 . 80.30800 84.000 84.154 1.0000 0.0000 1.19048E-02 0.6997 49 2
10046 . 80.31500 86.000 77.246 1.0000 0.0000 1.16279E-02 0.7002 49 2
10047 . 80.32200 77.000 72.517 1.0000 0.0000 1.29870E-02 0.6997 49 2
10048 . 80.32900 68.000 69.432 1.0000 0.0000 1.47059E-02 0.7002 49 2
10049 . 80.33600 81.000 67.478 1.0000 0.0000 1.23457E-02 0.7002 49 2
10050 . 80.34299 81.000 66.252 1.0000 0.0000 1.23457E-02 0.6997 49 2
10051 . 80.35000 62.000 65.472 1.0000 0.0000 1.61290E-02 0.7002 49 2
10052 . 80.35700 80.000 64.958 1.0000 0.0000 1.25000E-02 0.6997 49 2
10053 . 80.36400 69.000 64.607 1.0000 0.0000 1.44928E-02 0.7002 49 2
10054 . 80.37100 86.000 64.364 1.0000 0.0000 1.16279E-02 0.7002 49 2
10055 . 80.37800 87.000 64.200 1.0000 0.0000 1.14943E-02 0.6997 49 2
10056 . 80.38500 78.000 64.102 1.0000 0.0000 1.28205E-02 0.7002 49 2
10057 . 80.39200 75.000 64.071 1.0000 0.0000 1.33333E-02 0.6997 49 2
10058 . 80.39900 67.000 64.117 1.0000 0.0000 1.49254E-02 0.7002 49 2
10059 . 80.40600 74.000 64.267 1.0000 0.0000 1.35135E-02 0.7002 49 2
10060 . 80.41299 84.000 64.574 1.0000 0.0000 1.19048E-02 0.6997 49 2
10061 . 80.42000 71.000 65.132 1.0000 0.0000 1.40845E-02 0.7002 49 2
10062 . 80.42700 67.000 66.089 1.0000 0.0000 1.49254E-02 0.6997 49 2
10063 . 80.43400 81.000 67.653 1.0000 0.0000 1.23457E-02 0.7002 49 2
10064 . 80.44100 83.000 70.081 1.0000 0.0000 1.20482E-02 0.7002 49 2
10065 . 80.44800 79.000 73.633 1.0000 0.0000 1.26582E-02 0.6997 49 2
10066 . 80.45500 70.000 78.501 1.0000 0.0000 1.42857E-02 0.7002 49 2
10067 . 80.46201 73.000 84.698 1.0000 0.0000 1.36986E-02 0.6997 49 2
10068 . 80.46900 77.000 91.954 1.0000 0.0000 1.29870E-02 0.7002 49 2
10069 . 80.47600 72.000 99.652 1.0000 0.0000 1.38889E-02 0.7002 49 2
10070 . 80.48300 72.000 106.75 1.0000 0.0000 1.38889E-02 0.6997 49 2
10071 .1 80.49000 85.000 111.86 1.0000 0.0000 1.17647E-02 0.7002 49 2
10072 . 80.49700 78.000 113.62 1.0000 0.0000 1.28205E-02 0.6997 49 2
10073 . 80.50400 73.000 111.46 1.0000 0.0000 1.36986E-02 0.7002 49 2
10074 . 80.51100 71.000 105.53 1.0000 0.0000 1.40845E-02 0.7002 50 1
10075 . 80.51800 69.000 98.276 1.0000 0.0000 1.44928E-02 0.6997 50 1
10076 . 80.52500 72.000 90.515 1.0000 0.0000 1.38889E-02 0.7002 50 1
10077 . 80.53201 73.000 83.252 1.0000 0.0000 1.36986E-02 0.6997 50 1
10078 . 80.53900 76.000 77.086 1.0000 0.0000 1.31579E-02 0.7002 50 1
10079 . 80.54600 69.000 72.245 1.0000 0.0000 1.44928E-02 0.7002 50 1
10080 . 80.55300 67.000 68.703 1.0000 0.0000 1.49254E-02 0.6997 50 1
10081 . 80.56000 79.000 66.257 1.0000 0.0000 1.26582E-02 0.7002 50 1
10082 . 80.56700 76.000 64.644 1.0000 0.0000 1.31579E-02 0.6997 50 1
10083 . 80.57400 72.000 63.609 1.0000 0.0000 1.38889E-02 0.7002 50 1
10084 . 80.58100 79.000 62.944 1.0000 0.0000 1.26582E-02 0.7002 50 1
10085 . 80.58800 87.000 62.506 1.0000 0.0000 1.14943E-02 0.6997 50 1
10086 . 80.59500 67.000 62.201 1.0000 0.0000 1.49254E-02 0.7002 50 1
10087 . 80.60201 70.000 61.975 1.0000 0.0000 1.42857E-02 0.6997 50 1
10088 . 80.60900 79.000 61.797 1.0000 0.0000 1.26582E-02 0.7002 50 1
10089 . 80.61600 88.000 61.651 1.0000 0.0000 1.13636E-02 0.7002 50 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 179
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10090 . 80.62300 83.000 61.527 1.0000 0.0000 1.20482E-02 0.6997 50 1
10091 . 80.63000 79.000 61.420 1.0000 0.0000 1.26582E-02 0.7002 50 1
10092 . 80.63700 59.000 61.327 1.0000 0.0000 1.69492E-02 0.6997 50 1
10093 . 80.64400 73.000 61.245 1.0000 0.0000 1.36986E-02 0.7002 50 1
10094 . 80.65100 81.000 61.172 1.0000 0.0000 1.23457E-02 0.7002 50 1
10095 . 80.65800 79.000 61.107 1.0000 0.0000 1.26582E-02 0.6997 50 1
10096 . 80.66500 68.000 61.048 1.0000 0.0000 1.47059E-02 0.7002 50 1
10097 . 80.67200 63.000 60.995 1.0000 0.0000 1.58730E-02 0.6997 50 1
10098 . 80.67900 73.000 60.947 1.0000 0.0000 1.36986E-02 0.7002 50 1
10099 . 80.68600 73.000 60.903 1.0000 0.0000 1.36986E-02 0.7002 50 1
10100 . 80.69300 60.000 60.862 1.0000 0.0000 1.66667E-02 0.6997 50 1
10101 . 80.70000 64.000 60.825 1.0000 0.0000 1.56250E-02 0.7002 50 1
10102 . 80.70700 75.000 60.790 1.0000 0.0000 1.33333E-02 0.6997 50 1
10103 . 80.71400 57.000 60.757 1.0000 0.0000 1.75439E-02 0.7002 50 1
10104 . 80.72100 66.000 60.727 1.0000 0.0000 1.51515E-02 0.7002 50 1
10105 . 80.72800 67.000 60.699 1.0000 0.0000 1.49254E-02 0.6997 50 1
10106 . 80.73500 70.000 60.672 1.0000 0.0000 1.42857E-02 0.7002 50 1
10107 . 80.74200 67.000 60.647 1.0000 0.0000 1.49254E-02 0.6997 50 1
10108 B 80.74900 67.000 60.359 1.0000 0.0000 1.49254E-02 0.7002 0 1
10109 B 80.75600 76.000 60.350 1.0000 0.0000 1.31579E-02 0.7002 0 1
10110 B 80.76300 75.000 60.341 1.0000 0.0000 1.33333E-02 0.6997 0 1
10111 B 80.77000 79.000 60.332 1.0000 0.0000 1.26582E-02 0.7002 0 1
10112 B 80.77700 68.000 60.323 1.0000 0.0000 1.47059E-02 0.6997 0 1
10113 B 80.78400 66.000 60.314 1.0000 0.0000 1.51515E-02 0.7002 0 1
10114 B 80.79100 68.000 60.305 1.0000 0.0000 1.47059E-02 0.7002 0 1
10115 B 80.79800 62.000 60.296 1.0000 0.0000 1.61290E-02 0.6997 0 1
10116 B 80.80500 75.000 60.287 1.0000 0.0000 1.33333E-02 0.7002 0 1
10117 B 80.81200 75.000 60.278 1.0000 0.0000 1.33333E-02 0.6997 0 1
10118 B 80.81900 63.000 60.269 1.0000 0.0000 1.58730E-02 0.7002 0 1
10119 B 80.82600 74.000 60.260 1.0000 0.0000 1.35135E-02 0.7002 0 1
10120 B 80.83300 68.000 60.251 1.0000 0.0000 1.47059E-02 0.6997 0 1
10121 B 80.84000 76.000 60.242 1.0000 0.0000 1.31579E-02 0.7002 0 1
10122 B 80.84700 74.000 60.233 1.0000 0.0000 1.35135E-02 0.6997 0 1
10123 B 80.85400 75.000 60.225 1.0000 0.0000 1.33333E-02 0.7002 0 1
10124 B 80.86100 71.000 60.216 1.0000 0.0000 1.40845E-02 0.7002 0 1
10125 B 80.86800 73.000 60.207 1.0000 0.0000 1.36986E-02 0.6997 0 1
10126 B 80.87500 74.000 60.198 1.0000 0.0000 1.35135E-02 0.7002 0 1
10127 B 80.88200 73.000 60.189 1.0000 0.0000 1.36986E-02 0.6997 0 1
10128 B 80.88900 76.000 60.180 1.0000 0.0000 1.31579E-02 0.7002 0 1
10129 B 80.89600 73.000 60.171 1.0000 0.0000 1.36986E-02 0.7002 0 1
10130 B 80.90300 73.000 60.162 1.0000 0.0000 1.36986E-02 0.6997 0 1
10131 B 80.91000 73.000 60.153 1.0000 0.0000 1.36986E-02 0.7002 0 1
10132 B 80.91700 68.000 60.144 1.0000 0.0000 1.47059E-02 0.6997 0 1
10133 B 80.92400 61.000 60.135 1.0000 0.0000 1.63934E-02 0.7002 0 1
10134 B 80.93100 64.000 60.126 1.0000 0.0000 1.56250E-02 0.7002 0 1
10135 B 80.93800 64.000 60.118 1.0000 0.0000 1.56250E-02 0.6997 0 1
10136 B 80.94500 71.000 60.109 1.0000 0.0000 1.40845E-02 0.7002 0 1
10137 B 80.95200 75.000 60.100 1.0000 0.0000 1.33333E-02 0.6997 0 1
10138 B 80.95900 63.000 60.091 1.0000 0.0000 1.58730E-02 0.7002 0 1
10139 B 80.96600 68.000 60.082 1.0000 0.0000 1.47059E-02 0.7002 0 1
10140 B 80.97300 70.000 60.073 1.0000 0.0000 1.42857E-02 0.6997 0 1
10141 B 80.98000 56.000 60.064 1.0000 0.0000 1.78571E-02 0.7002 0 1
10142 B 80.98700 65.000 60.055 1.0000 0.0000 1.53846E-02 0.6997 0 1
10143 B 80.99400 66.000 60.046 1.0000 0.0000 1.51515E-02 0.7002 0 1
10144 B 81.00100 63.000 60.038 1.0000 0.0000 1.58730E-02 0.7002 0 1
10145 B 81.00800 57.000 60.029 1.0000 0.0000 1.75439E-02 0.6997 0 1
10146 B 81.01500 60.000 60.020 1.0000 0.0000 1.66667E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 180
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10147 B 81.02200 67.000 60.011 1.0000 0.0000 1.49254E-02 0.6997 0 1
10148 B 81.02900 68.000 60.002 1.0000 0.0000 1.47059E-02 0.7002 0 1
10149 B 81.03600 69.000 59.993 1.0000 0.0000 1.44928E-02 0.7002 0 1
10150 B 81.04300 60.000 59.984 1.0000 0.0000 1.66667E-02 0.6997 0 1
10151 B 81.05000 60.000 59.976 1.0000 0.0000 1.66667E-02 0.7002 0 1
10152 B 81.05700 65.000 59.967 1.0000 0.0000 1.53846E-02 0.6997 0 1
10153 B 81.06400 61.000 59.958 1.0000 0.0000 1.63934E-02 0.7002 0 1
10154 B 81.07100 56.000 59.949 1.0000 0.0000 1.78571E-02 0.7002 0 1
10155 B 81.07800 66.000 59.940 1.0000 0.0000 1.51515E-02 0.6997 0 1
10156 B 81.08500 67.000 59.931 1.0000 0.0000 1.49254E-02 0.7002 0 1
10157 B 81.09200 64.000 59.922 1.0000 0.0000 1.56250E-02 0.6997 0 1
10158 B 81.09900 72.000 59.914 1.0000 0.0000 1.38889E-02 0.7002 0 1
10159 B 81.10600 74.000 59.905 1.0000 0.0000 1.35135E-02 0.7002 0 1
10160 B 81.11300 68.000 59.896 1.0000 0.0000 1.47059E-02 0.6997 0 1
10161 B 81.12000 63.000 59.887 1.0000 0.0000 1.58730E-02 0.7002 0 1
10162 B 81.12700 70.000 59.878 1.0000 0.0000 1.42857E-02 0.6997 0 1
10163 B 81.13400 79.000 59.870 1.0000 0.0000 1.26582E-02 0.7002 0 1
10164 B 81.14100 57.000 59.861 1.0000 0.0000 1.75439E-02 0.7002 0 1
10165 B 81.14799 68.000 59.852 1.0000 0.0000 1.47059E-02 0.6997 0 1
10166 B 81.15500 62.000 59.843 1.0000 0.0000 1.61290E-02 0.7002 0 1
10167 B 81.16200 68.000 59.834 1.0000 0.0000 1.47059E-02 0.6997 0 1
10168 B 81.16900 76.000 59.826 1.0000 0.0000 1.31579E-02 0.7002 0 1
10169 B 81.17600 64.000 59.817 1.0000 0.0000 1.56250E-02 0.7002 0 1
10170 B 81.18300 63.000 59.808 1.0000 0.0000 1.58730E-02 0.6997 0 1
10171 B 81.19000 67.000 59.799 1.0000 0.0000 1.49254E-02 0.7002 0 1
10172 B 81.19700 72.000 59.790 1.0000 0.0000 1.38889E-02 0.6997 0 1
10173 B 81.20400 64.000 59.782 1.0000 0.0000 1.56250E-02 0.7002 0 1
10174 B 81.21100 63.000 59.773 1.0000 0.0000 1.58730E-02 0.7002 0 1
10175 B 81.21799 65.000 59.764 1.0000 0.0000 1.53846E-02 0.6997 0 1
10176 B 81.22500 61.000 59.755 1.0000 0.0000 1.63934E-02 0.7002 0 1
10177 B 81.23200 56.000 59.746 1.0000 0.0000 1.78571E-02 0.6997 0 1
10178 B 81.23900 63.000 59.738 1.0000 0.0000 1.58730E-02 0.7002 0 1
10179 B 81.24600 67.000 59.729 1.0000 0.0000 1.49254E-02 0.7002 0 1
10180 B 81.25300 63.000 59.720 1.0000 0.0000 1.58730E-02 0.6997 0 1
10181 B 81.26000 58.000 59.711 1.0000 0.0000 1.72414E-02 0.7002 0 1
10182 B 81.26700 78.000 59.703 1.0000 0.0000 1.28205E-02 0.6997 0 1
10183 B 81.27400 75.000 59.694 1.0000 0.0000 1.33333E-02 0.7002 0 1
10184 B 81.28100 74.000 59.685 1.0000 0.0000 1.35135E-02 0.7002 0 1
10185 B 81.28799 56.000 59.676 1.0000 0.0000 1.78571E-02 0.6997 0 1
10186 B 81.29500 60.000 59.668 1.0000 0.0000 1.66667E-02 0.7002 0 1
10187 B 81.30200 63.000 59.659 1.0000 0.0000 1.58730E-02 0.6997 0 1
10188 B 81.30900 64.000 59.650 1.0000 0.0000 1.56250E-02 0.7002 0 1
10189 B 81.31600 55.000 59.641 1.0000 0.0000 1.81818E-02 0.7002 0 1
10190 B 81.32300 56.000 59.633 1.0000 0.0000 1.78571E-02 0.6997 0 1
10191 B 81.33000 55.000 59.624 1.0000 0.0000 1.81818E-02 0.7002 0 1
10192 B 81.33701 59.000 59.615 1.0000 0.0000 1.69492E-02 0.6997 0 1
10193 B 81.34400 65.000 59.607 1.0000 0.0000 1.53846E-02 0.7002 0 1
10194 B 81.35100 55.000 59.598 1.0000 0.0000 1.81818E-02 0.7002 0 1
10195 B 81.35800 57.000 59.589 1.0000 0.0000 1.75439E-02 0.6997 0 1
10196 B 81.36500 62.000 59.580 1.0000 0.0000 1.61290E-02 0.7002 0 1
10197 B 81.37200 77.000 59.572 1.0000 0.0000 1.29870E-02 0.6997 0 1
10198 B 81.37900 64.000 59.563 1.0000 0.0000 1.56250E-02 0.7002 0 1
10199 B 81.38600 64.000 59.554 1.0000 0.0000 1.56250E-02 0.7002 0 1
10200 B 81.39300 58.000 59.546 1.0000 0.0000 1.72414E-02 0.6997 0 1
10201 B 81.40000 60.000 59.537 1.0000 0.0000 1.66667E-02 0.7002 0 1
10202 B 81.40701 72.000 59.528 1.0000 0.0000 1.38889E-02 0.6997 0 1
10203 B 81.41400 65.000 59.519 1.0000 0.0000 1.53846E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 181
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10204 B 81.42100 61.000 59.511 1.0000 0.0000 1.63934E-02 0.7002 0 1
10205 B 81.42800 58.000 59.502 1.0000 0.0000 1.72414E-02 0.6997 0 1
10206 B 81.43500 62.000 59.493 1.0000 0.0000 1.61290E-02 0.7002 0 1
10207 B 81.44200 62.000 59.485 1.0000 0.0000 1.61290E-02 0.6997 0 1
10208 B 81.44900 54.000 59.476 1.0000 0.0000 1.85185E-02 0.7002 0 1
10209 B 81.45600 55.000 59.467 1.0000 0.0000 1.81818E-02 0.7002 0 1
10210 B 81.46300 60.000 59.459 1.0000 0.0000 1.66667E-02 0.6997 0 1
10211 B 81.47000 59.000 59.450 1.0000 0.0000 1.69492E-02 0.7002 0 1
10212 B 81.47701 58.000 59.441 1.0000 0.0000 1.72414E-02 0.6997 0 1
10213 B 81.48400 50.000 59.433 1.0000 0.0000 2.00000E-02 0.7002 0 1
10214 B 81.49100 53.000 59.424 1.0000 0.0000 1.88679E-02 0.7002 0 1
10215 B 81.49800 57.000 59.415 1.0000 0.0000 1.75439E-02 0.6997 0 1
10216 B 81.50500 52.000 59.407 1.0000 0.0000 1.92308E-02 0.7002 0 1
10217 B 81.51200 57.000 59.398 1.0000 0.0000 1.75439E-02 0.6997 0 1
10218 B 81.51900 51.000 59.389 1.0000 0.0000 1.96078E-02 0.7002 0 1
10219 B 81.52600 47.000 59.381 1.0000 0.0000 2.12766E-02 0.7002 0 1
10220 B 81.53300 58.000 59.372 1.0000 0.0000 1.72414E-02 0.6997 0 1
10221 B 81.54000 55.000 59.364 1.0000 0.0000 1.81818E-02 0.7002 0 1
10222 B 81.54700 48.000 59.355 1.0000 0.0000 2.08333E-02 0.6997 0 1
10223 B 81.55400 51.000 59.346 1.0000 0.0000 1.96078E-02 0.7002 0 1
10224 B 81.56100 49.000 59.338 1.0000 0.0000 2.04082E-02 0.7002 0 1
10225 B 81.56800 65.000 59.329 1.0000 0.0000 1.53846E-02 0.6997 0 1
10226 B 81.57500 62.000 59.320 1.0000 0.0000 1.61290E-02 0.7002 0 1
10227 B 81.58200 61.000 59.312 1.0000 0.0000 1.63934E-02 0.6997 0 1
10228 B 81.58900 60.000 59.303 1.0000 0.0000 1.66667E-02 0.7002 0 1
10229 B 81.59600 53.000 59.295 1.0000 0.0000 1.88679E-02 0.7002 0 1
10230 B 81.60300 73.000 59.286 1.0000 0.0000 1.36986E-02 0.6997 0 1
10231 B 81.61000 63.000 59.277 1.0000 0.0000 1.58730E-02 0.7002 0 1
10232 B 81.61700 56.000 59.269 1.0000 0.0000 1.78571E-02 0.6997 0 1
10233 B 81.62400 60.000 59.260 1.0000 0.0000 1.66667E-02 0.7002 0 1
10234 B 81.63100 60.000 59.252 1.0000 0.0000 1.66667E-02 0.7002 0 1
10235 B 81.63800 52.000 59.243 1.0000 0.0000 1.92308E-02 0.6997 0 1
10236 B 81.64500 51.000 59.234 1.0000 0.0000 1.96078E-02 0.7002 0 1
10237 B 81.65200 54.000 59.226 1.0000 0.0000 1.85185E-02 0.6997 0 1
10238 B 81.65900 55.000 59.217 1.0000 0.0000 1.81818E-02 0.7002 0 1
10239 B 81.66600 50.000 59.209 1.0000 0.0000 2.00000E-02 0.7002 0 1
10240 B 81.67300 44.000 59.200 1.0000 0.0000 2.27273E-02 0.6997 0 1
10241 B 81.68000 43.000 59.191 1.0000 0.0000 2.32558E-02 0.7002 0 1
10242 B 81.68700 57.000 59.183 1.0000 0.0000 1.75439E-02 0.6997 0 1
10243 B 81.69400 67.000 59.174 1.0000 0.0000 1.49254E-02 0.7002 0 1
10244 B 81.70100 57.000 59.166 1.0000 0.0000 1.75439E-02 0.7002 0 1
10245 B 81.70800 59.000 59.157 1.0000 0.0000 1.69492E-02 0.6997 0 1
10246 B 81.71500 58.000 59.149 1.0000 0.0000 1.72414E-02 0.7002 0 1
10247 B 81.72200 60.000 59.140 1.0000 0.0000 1.66667E-02 0.6997 0 1
10248 B 81.72900 54.000 59.132 1.0000 0.0000 1.85185E-02 0.7002 0 1
10249 B 81.73600 61.000 59.123 1.0000 0.0000 1.63934E-02 0.7002 0 1
10250 B 81.74300 63.000 59.114 1.0000 0.0000 1.58730E-02 0.6997 0 1
10251 B 81.75000 53.000 59.106 1.0000 0.0000 1.88679E-02 0.7002 0 1
10252 B 81.75700 53.000 59.097 1.0000 0.0000 1.88679E-02 0.6997 0 1
10253 B 81.76400 47.000 59.089 1.0000 0.0000 2.12766E-02 0.7002 0 1
10254 B 81.77100 54.000 59.080 1.0000 0.0000 1.85185E-02 0.7002 0 1
10255 B 81.77800 61.000 59.072 1.0000 0.0000 1.63934E-02 0.6997 0 1
10256 B 81.78500 56.000 59.063 1.0000 0.0000 1.78571E-02 0.7002 0 1
10257 B 81.79200 64.000 59.055 1.0000 0.0000 1.56250E-02 0.6997 0 1
10258 B 81.79900 55.000 59.046 1.0000 0.0000 1.81818E-02 0.7002 0 1
10259 B 81.80600 59.000 59.038 1.0000 0.0000 1.69492E-02 0.7002 0 1
10260 B 81.81300 61.000 59.029 1.0000 0.0000 1.63934E-02 0.6997 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 182
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10261 B 81.82000 50.000 59.021 1.0000 0.0000 2.00000E-02 0.7002 0 1
10262 B 81.82700 53.000 59.012 1.0000 0.0000 1.88679E-02 0.6997 0 1
10263 B 81.83400 54.000 59.004 1.0000 0.0000 1.85185E-02 0.7002 0 1
10264 B 81.84100 47.000 58.995 1.0000 0.0000 2.12766E-02 0.7002 0 1
10265 B 81.84800 49.000 58.987 1.0000 0.0000 2.04082E-02 0.6997 0 1
10266 B 81.85500 46.000 58.978 1.0000 0.0000 2.17391E-02 0.7002 0 1
10267 B 81.86200 57.000 58.970 1.0000 0.0000 1.75439E-02 0.6997 0 1
10268 B 81.86900 56.000 58.961 1.0000 0.0000 1.78571E-02 0.7002 0 1
10269 B 81.87600 58.000 58.953 1.0000 0.0000 1.72414E-02 0.7002 0 1
10270 B 81.88300 46.000 58.944 1.0000 0.0000 2.17391E-02 0.6997 0 1
10271 B 81.89000 50.000 58.936 1.0000 0.0000 2.00000E-02 0.7002 0 1
10272 B 81.89700 62.000 58.927 1.0000 0.0000 1.61290E-02 0.6997 0 1
10273 B 81.90400 50.000 58.919 1.0000 0.0000 2.00000E-02 0.7002 0 1
10274 B 81.91100 54.000 58.910 1.0000 0.0000 1.85185E-02 0.7002 0 1
10275 B 81.91800 57.000 58.902 1.0000 0.0000 1.75439E-02 0.6997 0 1
10276 B 81.92500 50.000 58.893 1.0000 0.0000 2.00000E-02 0.7002 0 1
10277 B 81.93199 49.000 58.885 1.0000 0.0000 2.04082E-02 0.7002 0 1
10278 B 81.93900 46.000 58.876 1.0000 0.0000 2.17391E-02 0.7002 0 1
10279 B 81.94601 51.000 58.868 1.0000 0.0000 1.96078E-02 0.6992 0 1
10280 B 81.95299 53.000 58.859 1.0000 0.0000 1.88679E-02 0.7002 0 1
10281 B 81.96000 49.000 58.851 1.0000 0.0000 2.04082E-02 0.7002 0 1
10282 B 81.96700 52.000 58.843 1.0000 0.0000 1.92308E-02 0.7002 0 1
10283 B 81.97401 49.000 58.834 1.0000 0.0000 2.04082E-02 0.7002 0 1
10284 B 81.98100 45.000 58.826 1.0000 0.0000 2.22222E-02 0.6992 0 1
10285 B 81.98799 50.000 58.817 1.0000 0.0000 2.00000E-02 0.7002 0 1
10286 B 81.99500 63.000 58.809 1.0000 0.0000 1.58730E-02 0.7002 0 1
10287 B 82.00199 44.000 58.800 1.0000 0.0000 2.27273E-02 0.7002 0 1
10288 B 82.00900 55.000 58.792 1.0000 0.0000 1.81818E-02 0.7002 0 1
10289 B 82.01601 53.000 58.784 1.0000 0.0000 1.88679E-02 0.6992 0 1
10290 B 82.02299 43.000 58.775 1.0000 0.0000 2.32558E-02 0.7002 0 1
10291 B 82.03000 50.000 58.767 1.0000 0.0000 2.00000E-02 0.7002 0 1
10292 B 82.03699 45.000 58.758 1.0000 0.0000 2.22222E-02 0.7002 0 1
10293 B 82.04401 48.000 58.750 1.0000 0.0000 2.08333E-02 0.7002 0 1
10294 B 82.05100 49.000 58.741 1.0000 0.0000 2.04082E-02 0.6992 0 1
10295 B 82.05799 46.000 58.733 1.0000 0.0000 2.17391E-02 0.7002 0 1
10296 B 82.06500 49.000 58.725 1.0000 0.0000 2.04082E-02 0.7002 0 1
10297 B 82.07199 46.000 58.716 1.0000 0.0000 2.17391E-02 0.7002 0 1
10298 B 82.07900 54.000 58.708 1.0000 0.0000 1.85185E-02 0.7002 0 1
10299 B 82.08601 63.000 58.699 1.0000 0.0000 1.58730E-02 0.6992 0 1
10300 B 82.09299 57.000 58.691 1.0000 0.0000 1.75439E-02 0.7002 0 1
10301 B 82.10000 53.000 58.683 1.0000 0.0000 1.88679E-02 0.7002 0 1
10302 B 82.10699 47.000 58.674 1.0000 0.0000 2.12766E-02 0.7002 0 1
10303 B 82.11401 58.000 58.666 1.0000 0.0000 1.72414E-02 0.7002 0 1
10304 B 82.12100 49.000 58.657 1.0000 0.0000 2.04082E-02 0.6992 0 1
10305 B 82.12799 59.000 58.649 1.0000 0.0000 1.69492E-02 0.7002 0 1
10306 B 82.13500 53.000 58.641 1.0000 0.0000 1.88679E-02 0.7002 0 1
10307 B 82.14199 49.000 58.632 1.0000 0.0000 2.04082E-02 0.7002 0 1
10308 B 82.14900 50.000 58.624 1.0000 0.0000 2.00000E-02 0.7002 0 1
10309 B 82.15601 50.000 58.616 1.0000 0.0000 2.00000E-02 0.6992 0 1
10310 B 82.16299 49.000 58.607 1.0000 0.0000 2.04082E-02 0.7002 0 1
10311 B 82.17000 52.000 58.599 1.0000 0.0000 1.92308E-02 0.7002 0 1
10312 B 82.17699 48.000 58.591 1.0000 0.0000 2.08333E-02 0.7002 0 1
10313 B 82.18401 51.000 58.582 1.0000 0.0000 1.96078E-02 0.7002 0 1
10314 B 82.19101 54.000 58.574 1.0000 0.0000 1.85185E-02 0.6992 0 1
10315 B 82.19799 51.000 58.565 1.0000 0.0000 1.96078E-02 0.7002 0 1
10316 B 82.20500 49.000 58.557 1.0000 0.0000 2.04082E-02 0.7002 0 1
10317 B 82.21199 51.000 58.549 1.0000 0.0000 1.96078E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 183
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10318 B 82.21900 53.000 58.540 1.0000 0.0000 1.88679E-02 0.7002 0 1
10319 B 82.22601 57.000 58.532 1.0000 0.0000 1.75439E-02 0.6992 0 1
10320 B 82.23299 51.000 58.524 1.0000 0.0000 1.96078E-02 0.7002 0 1
10321 B 82.24000 54.000 58.515 1.0000 0.0000 1.85185E-02 0.7002 0 1
10322 B 82.24699 48.000 58.507 1.0000 0.0000 2.08333E-02 0.7002 0 1
10323 B 82.25401 40.000 58.499 1.0000 0.0000 2.50000E-02 0.7002 0 1
10324 B 82.26101 46.000 58.490 1.0000 0.0000 2.17391E-02 0.6992 0 1
10325 B 82.26799 55.000 58.482 1.0000 0.0000 1.81818E-02 0.7002 0 1
10326 B 82.27500 53.000 58.474 1.0000 0.0000 1.88679E-02 0.7002 0 1
10327 B 82.28199 45.000 58.466 1.0000 0.0000 2.22222E-02 0.7002 0 1
10328 B 82.28900 46.000 58.457 1.0000 0.0000 2.17391E-02 0.7002 0 1
10329 B 82.29601 49.000 58.449 1.0000 0.0000 2.04082E-02 0.6992 0 1
10330 B 82.30299 53.000 58.441 1.0000 0.0000 1.88679E-02 0.7002 0 1
10331 B 82.31000 56.000 58.432 1.0000 0.0000 1.78571E-02 0.7002 0 1
10332 B 82.31699 50.000 58.424 1.0000 0.0000 2.00000E-02 0.7002 0 1
10333 B 82.32401 44.000 58.416 1.0000 0.0000 2.27273E-02 0.7002 0 1
10334 B 82.33101 40.000 58.407 1.0000 0.0000 2.50000E-02 0.6992 0 1
10335 B 82.33799 47.000 58.399 1.0000 0.0000 2.12766E-02 0.7002 0 1
10336 B 82.34500 56.000 58.391 1.0000 0.0000 1.78571E-02 0.7002 0 1
10337 B 82.35199 50.000 58.383 1.0000 0.0000 2.00000E-02 0.7002 0 1
10338 B 82.35900 41.000 58.374 1.0000 0.0000 2.43902E-02 0.7002 0 1
10339 B 82.36600 39.000 58.366 1.0000 0.0000 2.56410E-02 0.6992 0 1
10340 B 82.37299 45.000 58.358 1.0000 0.0000 2.22222E-02 0.7002 0 1
10341 B 82.38000 50.000 58.350 1.0000 0.0000 2.00000E-02 0.7002 0 1
10342 B 82.38699 49.000 58.341 1.0000 0.0000 2.04082E-02 0.7002 0 1
10343 B 82.39400 41.000 58.333 1.0000 0.0000 2.43902E-02 0.7002 0 1
10344 B 82.40101 48.000 58.325 1.0000 0.0000 2.08333E-02 0.6992 0 1
10345 B 82.40799 57.000 58.317 1.0000 0.0000 1.75439E-02 0.7002 0 1
10346 B 82.41500 47.000 58.308 1.0000 0.0000 2.12766E-02 0.7002 0 1
10347 B 82.42199 30.000 58.300 1.0000 0.0000 3.33333E-02 0.7002 0 1
10348 B 82.42900 54.000 58.292 1.0000 0.0000 1.85185E-02 0.7002 0 1
10349 B 82.43600 37.000 58.284 1.0000 0.0000 2.70270E-02 0.6992 0 1
10350 B 82.44299 49.000 58.275 1.0000 0.0000 2.04082E-02 0.7002 0 1
10351 B 82.45000 50.000 58.267 1.0000 0.0000 2.00000E-02 0.7002 0 1
10352 B 82.45699 43.000 58.259 1.0000 0.0000 2.32558E-02 0.7002 0 1
10353 B 82.46400 52.000 58.251 1.0000 0.0000 1.92308E-02 0.7002 0 1
10354 B 82.47101 53.000 58.242 1.0000 0.0000 1.88679E-02 0.6992 0 1
10355 B 82.47799 47.000 58.234 1.0000 0.0000 2.12766E-02 0.7002 0 1
10356 B 82.48500 49.000 58.226 1.0000 0.0000 2.04082E-02 0.7002 0 1
10357 B 82.49199 57.000 58.218 1.0000 0.0000 1.75439E-02 0.7002 0 1
10358 B 82.49900 45.000 58.209 1.0000 0.0000 2.22222E-02 0.7002 0 1
10359 B 82.50600 47.000 58.201 1.0000 0.0000 2.12766E-02 0.6992 0 1
10360 B 82.51299 45.000 58.193 1.0000 0.0000 2.22222E-02 0.7002 0 1
10361 B 82.52000 54.000 58.185 1.0000 0.0000 1.85185E-02 0.7002 0 1
10362 B 82.52699 53.000 58.177 1.0000 0.0000 1.88679E-02 0.7002 0 1
10363 B 82.53400 47.000 58.168 1.0000 0.0000 2.12766E-02 0.7002 0 1
10364 B 82.54101 52.000 58.160 1.0000 0.0000 1.92308E-02 0.6992 0 1
10365 B 82.54799 54.000 58.152 1.0000 0.0000 1.85185E-02 0.7002 0 1
10366 B 82.55500 38.000 58.144 1.0000 0.0000 2.63158E-02 0.7002 0 1
10367 B 82.56199 43.000 58.136 1.0000 0.0000 2.32558E-02 0.7002 0 1
10368 B 82.56900 45.000 58.127 1.0000 0.0000 2.22222E-02 0.7002 0 1
10369 B 82.57600 41.000 58.119 1.0000 0.0000 2.43902E-02 0.6992 0 1
10370 B 82.58298 40.000 58.111 1.0000 0.0000 2.50000E-02 0.7002 0 1
10371 B 82.59000 51.000 58.103 1.0000 0.0000 1.96078E-02 0.7002 0 1
10372 B 82.59699 46.000 58.095 1.0000 0.0000 2.17391E-02 0.7002 0 1
10373 B 82.60400 42.000 58.087 1.0000 0.0000 2.38095E-02 0.7002 0 1
10374 B 82.61101 38.000 58.078 1.0000 0.0000 2.63158E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 184
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10375 B 82.61799 49.000 58.070 1.0000 0.0000 2.04082E-02 0.7002 0 1
10376 B 82.62500 47.000 58.062 1.0000 0.0000 2.12766E-02 0.7002 0 1
10377 B 82.63199 38.000 58.054 1.0000 0.0000 2.63158E-02 0.7002 0 1
10378 B 82.63901 47.000 58.046 1.0000 0.0000 2.12766E-02 0.7002 0 1
10379 B 82.64600 41.000 58.038 1.0000 0.0000 2.43902E-02 0.6992 0 1
10380 B 82.65298 39.000 58.030 1.0000 0.0000 2.56410E-02 0.7002 0 1
10381 B 82.66000 50.000 58.021 1.0000 0.0000 2.00000E-02 0.7002 0 1
10382 B 82.66699 46.000 58.013 1.0000 0.0000 2.17391E-02 0.7002 0 1
10383 B 82.67400 40.000 58.005 1.0000 0.0000 2.50000E-02 0.7002 0 1
10384 B 82.68101 39.000 57.997 1.0000 0.0000 2.56410E-02 0.6992 0 1
10385 B 82.68799 47.000 57.989 1.0000 0.0000 2.12766E-02 0.7002 0 1
10386 B 82.69500 45.000 57.981 1.0000 0.0000 2.22222E-02 0.7002 0 1
10387 B 82.70200 47.000 57.973 1.0000 0.0000 2.12766E-02 0.7002 0 1
10388 B 82.70901 36.000 57.964 1.0000 0.0000 2.77778E-02 0.7002 0 1
10389 B 82.71600 33.000 57.956 1.0000 0.0000 3.03030E-02 0.6992 0 1
10390 B 82.72299 51.000 57.948 1.0000 0.0000 1.96078E-02 0.7002 0 1
10391 B 82.73000 49.000 57.940 1.0000 0.0000 2.04082E-02 0.7002 0 1
10392 B 82.73699 44.000 57.932 1.0000 0.0000 2.27273E-02 0.7002 0 1
10393 B 82.74400 45.000 57.924 1.0000 0.0000 2.22222E-02 0.7002 0 1
10394 B 82.75101 33.000 57.916 1.0000 0.0000 3.03030E-02 0.6992 0 1
10395 B 82.75799 51.000 57.908 1.0000 0.0000 1.96078E-02 0.7002 0 1
10396 B 82.76500 42.000 57.900 1.0000 0.0000 2.38095E-02 0.7002 0 1
10397 B 82.77200 50.000 57.891 1.0000 0.0000 2.00000E-02 0.7002 0 1
10398 B 82.77901 52.000 57.883 1.0000 0.0000 1.92308E-02 0.7002 0 1
10399 B 82.78600 59.000 57.875 1.0000 0.0000 1.69492E-02 0.6992 0 1
10400 B 82.79299 50.000 57.867 1.0000 0.0000 2.00000E-02 0.7002 0 1
10401 B 82.80000 46.000 57.859 1.0000 0.0000 2.17391E-02 0.7002 0 1
10402 B 82.80699 40.000 57.851 1.0000 0.0000 2.50000E-02 0.7002 0 1
10403 B 82.81400 44.000 57.843 1.0000 0.0000 2.27273E-02 0.7002 0 1
10404 B 82.82101 57.000 57.835 1.0000 0.0000 1.75439E-02 0.6992 0 1
10405 B 82.82799 41.000 57.827 1.0000 0.0000 2.43902E-02 0.7002 0 1
10406 B 82.83500 59.000 57.819 1.0000 0.0000 1.69492E-02 0.7002 0 1
10407 B 82.84200 49.000 57.811 1.0000 0.0000 2.04082E-02 0.7002 0 1
10408 B 82.84901 51.000 57.803 1.0000 0.0000 1.96078E-02 0.7002 0 1
10409 B 82.85600 47.000 57.795 1.0000 0.0000 2.12766E-02 0.6992 0 1
10410 B 82.86299 47.000 57.787 1.0000 0.0000 2.12766E-02 0.7002 0 1
10411 B 82.87000 36.000 57.778 1.0000 0.0000 2.77778E-02 0.7002 0 1
10412 B 82.87699 46.000 57.770 1.0000 0.0000 2.17391E-02 0.7002 0 1
10413 B 82.88400 47.000 57.762 1.0000 0.0000 2.12766E-02 0.7002 0 1
10414 B 82.89101 44.000 57.754 1.0000 0.0000 2.27273E-02 0.6992 0 1
10415 B 82.89799 51.000 57.746 1.0000 0.0000 1.96078E-02 0.7002 0 1
10416 B 82.90500 49.000 57.738 1.0000 0.0000 2.04082E-02 0.7002 0 1
10417 B 82.91199 46.000 57.730 1.0000 0.0000 2.17391E-02 0.7002 0 1
10418 B 82.91901 45.000 57.722 1.0000 0.0000 2.22222E-02 0.7002 0 1
10419 B 82.92600 58.000 57.714 1.0000 0.0000 1.72414E-02 0.6992 0 1
10420 B 82.93299 52.000 57.706 1.0000 0.0000 1.92308E-02 0.7002 0 1
10421 B 82.94000 51.000 57.698 1.0000 0.0000 1.96078E-02 0.7002 0 1
10422 B 82.94699 48.000 57.690 1.0000 0.0000 2.08333E-02 0.7002 0 1
10423 B 82.95400 43.000 57.682 1.0000 0.0000 2.32558E-02 0.7002 0 1
10424 B 82.96101 39.000 57.674 1.0000 0.0000 2.56410E-02 0.6992 0 1
10425 B 82.96799 50.000 57.666 1.0000 0.0000 2.00000E-02 0.7002 0 1
10426 B 82.97500 44.000 57.658 1.0000 0.0000 2.27273E-02 0.7002 0 1
10427 B 82.98199 37.000 57.650 1.0000 0.0000 2.70270E-02 0.7002 0 1
10428 B 82.98901 41.000 57.642 1.0000 0.0000 2.43902E-02 0.7002 0 1
10429 B 82.99600 47.000 57.634 1.0000 0.0000 2.12766E-02 0.6992 0 1
10430 B 83.00299 51.000 57.626 1.0000 0.0000 1.96078E-02 0.7002 0 1
10431 B 83.01000 45.000 57.618 1.0000 0.0000 2.22222E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 185
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10432 B 83.01699 41.000 57.610 1.0000 0.0000 2.43902E-02 0.7002 0 1
10433 B 83.02400 47.000 57.602 1.0000 0.0000 2.12766E-02 0.7002 0 1
10434 B 83.03101 46.000 57.594 1.0000 0.0000 2.17391E-02 0.6992 0 1
10435 B 83.03799 49.000 57.586 1.0000 0.0000 2.04082E-02 0.7002 0 1
10436 B 83.04500 56.000 57.578 1.0000 0.0000 1.78571E-02 0.7002 0 1
10437 B 83.05199 42.000 57.570 1.0000 0.0000 2.38095E-02 0.7002 0 1
10438 B 83.05901 52.000 57.562 1.0000 0.0000 1.92308E-02 0.7002 0 1
10439 B 83.06601 48.000 57.554 1.0000 0.0000 2.08333E-02 0.6992 0 1
10440 B 83.07299 39.000 57.546 1.0000 0.0000 2.56410E-02 0.7002 0 1
10441 B 83.08000 38.000 57.538 1.0000 0.0000 2.63158E-02 0.7002 0 1
10442 B 83.08699 53.000 57.530 1.0000 0.0000 1.88679E-02 0.7002 0 1
10443 B 83.09400 47.000 57.522 1.0000 0.0000 2.12766E-02 0.7002 0 1
10444 B 83.10101 42.000 57.514 1.0000 0.0000 2.38095E-02 0.6992 0 1
10445 B 83.10799 44.000 57.507 1.0000 0.0000 2.27273E-02 0.7002 0 1
10446 B 83.11500 44.000 57.499 1.0000 0.0000 2.27273E-02 0.7002 0 1
10447 B 83.12199 39.000 57.491 1.0000 0.0000 2.56410E-02 0.7002 0 1
10448 B 83.12901 42.000 57.483 1.0000 0.0000 2.38095E-02 0.7002 0 1
10449 B 83.13601 46.000 57.475 1.0000 0.0000 2.17391E-02 0.6992 0 1
10450 B 83.14299 47.000 57.467 1.0000 0.0000 2.12766E-02 0.7002 0 1
10451 B 83.15000 47.000 57.459 1.0000 0.0000 2.12766E-02 0.7002 0 1
10452 B 83.15699 47.000 57.451 1.0000 0.0000 2.12766E-02 0.7002 0 1
10453 B 83.16400 43.000 57.443 1.0000 0.0000 2.32558E-02 0.7002 0 1
10454 B 83.17101 42.000 57.435 1.0000 0.0000 2.38095E-02 0.6992 0 1
10455 B 83.17799 58.000 57.427 1.0000 0.0000 1.72414E-02 0.7002 0 1
10456 B 83.18500 35.000 57.419 1.0000 0.0000 2.85714E-02 0.7002 0 1
10457 B 83.19199 45.000 57.411 1.0000 0.0000 2.22222E-02 0.7002 0 1
10458 B 83.19901 40.000 57.403 1.0000 0.0000 2.50000E-02 0.7002 0 1
10459 B 83.20601 35.000 57.396 1.0000 0.0000 2.85714E-02 0.6992 0 1
10460 B 83.21299 48.000 57.388 1.0000 0.0000 2.08333E-02 0.7002 0 1
10461 B 83.22000 47.000 57.380 1.0000 0.0000 2.12766E-02 0.7002 0 1
10462 B 83.22699 41.000 57.372 1.0000 0.0000 2.43902E-02 0.7002 0 1
10463 B 83.23400 42.000 57.364 1.0000 0.0000 2.38095E-02 0.7002 0 1
10464 B 83.24100 46.000 57.356 1.0000 0.0000 2.17391E-02 0.6992 0 1
10465 B 83.24799 48.000 57.348 1.0000 0.0000 2.08333E-02 0.7002 0 1
10466 B 83.25500 53.000 57.340 1.0000 0.0000 1.88679E-02 0.7002 0 1
10467 B 83.26199 42.000 57.332 1.0000 0.0000 2.38095E-02 0.7002 0 1
10468 B 83.26900 47.000 57.325 1.0000 0.0000 2.12766E-02 0.7002 0 1
10469 B 83.27601 44.000 57.317 1.0000 0.0000 2.27273E-02 0.6992 0 1
10470 B 83.28299 45.000 57.309 1.0000 0.0000 2.22222E-02 0.7002 0 1
10471 B 83.29000 39.000 57.301 1.0000 0.0000 2.56410E-02 0.7002 0 1
10472 B 83.29699 39.000 57.293 1.0000 0.0000 2.56410E-02 0.7002 0 1
10473 B 83.30400 49.000 57.285 1.0000 0.0000 2.04082E-02 0.7002 0 1
10474 B 83.31100 39.000 57.277 1.0000 0.0000 2.56410E-02 0.6992 0 1
10475 B 83.31799 43.000 57.270 1.0000 0.0000 2.32558E-02 0.7002 0 1
10476 B 83.32500 44.000 57.262 1.0000 0.0000 2.27273E-02 0.7002 0 1
10477 B 83.33199 44.000 57.254 1.0000 0.0000 2.27273E-02 0.7002 0 1
10478 B 83.33900 41.000 57.246 1.0000 0.0000 2.43902E-02 0.7002 0 1
10479 B 83.34601 49.000 57.238 1.0000 0.0000 2.04082E-02 0.6992 0 1
10480 B 83.35299 38.000 57.230 1.0000 0.0000 2.63158E-02 0.7002 0 1
10481 B 83.36000 40.000 57.222 1.0000 0.0000 2.50000E-02 0.7002 0 1
10482 B 83.36699 42.000 57.215 1.0000 0.0000 2.38095E-02 0.7002 0 1
10483 B 83.37400 45.000 57.207 1.0000 0.0000 2.22222E-02 0.7002 0 1
10484 B 83.38100 38.000 57.199 1.0000 0.0000 2.63158E-02 0.6992 0 1
10485 B 83.38799 44.000 57.191 1.0000 0.0000 2.27273E-02 0.7002 0 1
10486 B 83.39500 44.000 57.183 1.0000 0.0000 2.27273E-02 0.7002 0 1
10487 B 83.40199 39.000 57.176 1.0000 0.0000 2.56410E-02 0.7002 0 1
10488 B 83.40900 40.000 57.168 1.0000 0.0000 2.50000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 186
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10489 B 83.41601 36.000 57.160 1.0000 0.0000 2.77778E-02 0.6992 0 1
10490 B 83.42299 41.000 57.152 1.0000 0.0000 2.43902E-02 0.7002 0 1
10491 B 83.43000 36.000 57.144 1.0000 0.0000 2.77778E-02 0.7002 0 1
10492 B 83.43699 42.000 57.136 1.0000 0.0000 2.38095E-02 0.7002 0 1
10493 B 83.44400 40.000 57.129 1.0000 0.0000 2.50000E-02 0.7002 0 1
10494 B 83.45100 37.000 57.121 1.0000 0.0000 2.70270E-02 0.6992 0 1
10495 B 83.45798 40.000 57.113 1.0000 0.0000 2.50000E-02 0.7002 0 1
10496 B 83.46500 38.000 57.105 1.0000 0.0000 2.63158E-02 0.7002 0 1
10497 B 83.47199 36.000 57.098 1.0000 0.0000 2.77778E-02 0.7002 0 1
10498 B 83.47900 39.000 57.090 1.0000 0.0000 2.56410E-02 0.7002 0 1
10499 B 83.48601 42.000 57.082 1.0000 0.0000 2.38095E-02 0.6992 0 1
10500 B 83.49299 47.000 57.074 1.0000 0.0000 2.12766E-02 0.7002 0 1
10501 B 83.50000 44.000 57.066 1.0000 0.0000 2.27273E-02 0.7002 0 1
10502 B 83.50699 46.000 57.059 1.0000 0.0000 2.17391E-02 0.7002 0 1
10503 B 83.51401 41.000 57.051 1.0000 0.0000 2.43902E-02 0.7002 0 1
10504 B 83.52100 51.000 57.043 1.0000 0.0000 1.96078E-02 0.6992 0 1
10505 B 83.52798 41.000 57.035 1.0000 0.0000 2.43902E-02 0.7002 0 1
10506 B 83.53500 40.000 57.028 1.0000 0.0000 2.50000E-02 0.7002 0 1
10507 B 83.54199 40.000 57.020 1.0000 0.0000 2.50000E-02 0.7002 0 1
10508 B 83.54900 45.000 57.012 1.0000 0.0000 2.22222E-02 0.7002 0 1
10509 B 83.55601 39.000 57.004 1.0000 0.0000 2.56410E-02 0.6992 0 1
10510 B 83.56299 40.000 56.997 1.0000 0.0000 2.50000E-02 0.7002 0 1
10511 B 83.57000 49.000 56.989 1.0000 0.0000 2.04082E-02 0.7002 0 1
10512 B 83.57700 51.000 56.981 1.0000 0.0000 1.96078E-02 0.7002 0 1
10513 B 83.58401 42.000 56.973 1.0000 0.0000 2.38095E-02 0.7002 0 1
10514 B 83.59100 39.000 56.966 1.0000 0.0000 2.56410E-02 0.6992 0 1
10515 B 83.59799 42.000 56.958 1.0000 0.0000 2.38095E-02 0.7002 0 1
10516 B 83.60500 40.000 56.950 1.0000 0.0000 2.50000E-02 0.7002 0 1
10517 B 83.61199 49.000 56.942 1.0000 0.0000 2.04082E-02 0.7002 0 1
10518 B 83.61900 46.000 56.935 1.0000 0.0000 2.17391E-02 0.7002 0 1
10519 B 83.62601 38.000 56.927 1.0000 0.0000 2.63158E-02 0.6992 0 1
10520 B 83.63299 40.000 56.919 1.0000 0.0000 2.50000E-02 0.7002 0 1
10521 B 83.64000 42.000 56.912 1.0000 0.0000 2.38095E-02 0.7002 0 1
10522 B 83.64700 40.000 56.904 1.0000 0.0000 2.50000E-02 0.7002 0 1
10523 B 83.65401 33.000 56.896 1.0000 0.0000 3.03030E-02 0.7002 0 1
10524 B 83.66100 45.000 56.888 1.0000 0.0000 2.22222E-02 0.6992 0 1
10525 B 83.66799 42.000 56.881 1.0000 0.0000 2.38095E-02 0.7002 0 1
10526 B 83.67500 42.000 56.873 1.0000 0.0000 2.38095E-02 0.7002 0 1
10527 B 83.68199 44.000 56.865 1.0000 0.0000 2.27273E-02 0.7002 0 1
10528 B 83.68900 45.000 56.858 1.0000 0.0000 2.22222E-02 0.7002 0 1
10529 B 83.69601 43.000 56.850 1.0000 0.0000 2.32558E-02 0.6992 0 1
10530 B 83.70299 43.000 56.842 1.0000 0.0000 2.32558E-02 0.7002 0 1
10531 B 83.71000 47.000 56.835 1.0000 0.0000 2.12766E-02 0.7002 0 1
10532 B 83.71700 45.000 56.827 1.0000 0.0000 2.22222E-02 0.7002 0 1
10533 B 83.72401 43.000 56.819 1.0000 0.0000 2.32558E-02 0.7002 0 1
10534 B 83.73100 44.000 56.812 1.0000 0.0000 2.27273E-02 0.6992 0 1
10535 B 83.73799 37.000 56.804 1.0000 0.0000 2.70270E-02 0.7002 0 1
10536 B 83.74500 37.000 56.796 1.0000 0.0000 2.70270E-02 0.7002 0 1
10537 B 83.75199 37.000 56.789 1.0000 0.0000 2.70270E-02 0.7002 0 1
10538 B 83.75900 40.000 56.781 1.0000 0.0000 2.50000E-02 0.7002 0 1
10539 B 83.76601 43.000 56.773 1.0000 0.0000 2.32558E-02 0.6992 0 1
10540 B 83.77299 44.000 56.766 1.0000 0.0000 2.27273E-02 0.7002 0 1
10541 B 83.78000 43.000 56.758 1.0000 0.0000 2.32558E-02 0.7002 0 1
10542 B 83.78699 53.000 56.750 1.0000 0.0000 1.88679E-02 0.7002 0 1
10543 B 83.79401 45.000 56.743 1.0000 0.0000 2.22222E-02 0.7002 0 1
10544 B 83.80100 40.000 56.735 1.0000 0.0000 2.50000E-02 0.6992 0 1
10545 B 83.80799 42.000 56.727 1.0000 0.0000 2.38095E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 187
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10546 B 83.81500 37.000 56.720 1.0000 0.0000 2.70270E-02 0.7002 0 1
10547 B 83.82199 33.000 56.712 1.0000 0.0000 3.03030E-02 0.7002 0 1
10548 B 83.82900 45.000 56.704 1.0000 0.0000 2.22222E-02 0.7002 0 1
10549 B 83.83601 39.000 56.697 1.0000 0.0000 2.56410E-02 0.6992 0 1
10550 B 83.84299 34.000 56.689 1.0000 0.0000 2.94118E-02 0.7002 0 1
10551 B 83.85000 50.000 56.682 1.0000 0.0000 2.00000E-02 0.7002 0 1
10552 B 83.85699 50.000 56.674 1.0000 0.0000 2.00000E-02 0.7002 0 1
10553 B 83.86401 49.000 56.666 1.0000 0.0000 2.04082E-02 0.7002 0 1
10554 B 83.87100 42.000 56.659 1.0000 0.0000 2.38095E-02 0.6992 0 1
10555 B 83.87799 37.000 56.651 1.0000 0.0000 2.70270E-02 0.7002 0 1
10556 B 83.88500 35.000 56.643 1.0000 0.0000 2.85714E-02 0.7002 0 1
10557 B 83.89199 33.000 56.636 1.0000 0.0000 3.03030E-02 0.7002 0 1
10558 B 83.89900 32.000 56.628 1.0000 0.0000 3.12500E-02 0.7002 0 1
10559 B 83.90601 52.000 56.621 1.0000 0.0000 1.92308E-02 0.6992 0 1
10560 B 83.91299 45.000 56.613 1.0000 0.0000 2.22222E-02 0.7002 0 1
10561 B 83.92000 44.000 56.606 1.0000 0.0000 2.27273E-02 0.7002 0 1
10562 B 83.92699 51.000 56.598 1.0000 0.0000 1.96078E-02 0.7002 0 1
10563 B 83.93401 45.000 56.590 1.0000 0.0000 2.22222E-02 0.7002 0 1
10564 B 83.94101 40.000 56.583 1.0000 0.0000 2.50000E-02 0.6992 0 1
10565 B 83.94799 53.000 56.575 1.0000 0.0000 1.88679E-02 0.7002 0 1
10566 B 83.95500 48.000 56.568 1.0000 0.0000 2.08333E-02 0.7002 0 1
10567 B 83.96199 42.000 56.560 1.0000 0.0000 2.38095E-02 0.7002 0 1
10568 B 83.96900 49.000 56.552 1.0000 0.0000 2.04082E-02 0.7002 0 1
10569 B 83.97601 52.000 56.545 1.0000 0.0000 1.92308E-02 0.6992 0 1
10570 B 83.98299 42.000 56.537 1.0000 0.0000 2.38095E-02 0.7002 0 1
10571 B 83.99000 45.000 56.530 1.0000 0.0000 2.22222E-02 0.7002 0 1
10572 B 83.99699 52.000 56.522 1.0000 0.0000 1.92308E-02 0.7002 0 1
10573 B 84.00401 37.000 56.515 1.0000 0.0000 2.70270E-02 0.7002 0 1
10574 B 84.01101 44.000 56.507 1.0000 0.0000 2.27273E-02 0.6992 0 1
10575 B 84.01799 38.000 56.500 1.0000 0.0000 2.63158E-02 0.7002 0 1
10576 B 84.02500 48.000 56.492 1.0000 0.0000 2.08333E-02 0.7002 0 1
10577 B 84.03199 38.000 56.484 1.0000 0.0000 2.63158E-02 0.7002 0 1
10578 B 84.03900 38.000 56.477 1.0000 0.0000 2.63158E-02 0.7002 0 1
10579 B 84.04601 40.000 56.469 1.0000 0.0000 2.50000E-02 0.6992 0 1
10580 B 84.05299 52.000 56.462 1.0000 0.0000 1.92308E-02 0.7002 0 1
10581 B 84.06000 51.000 56.454 1.0000 0.0000 1.96078E-02 0.7002 0 1
10582 B 84.06699 40.000 56.447 1.0000 0.0000 2.50000E-02 0.7002 0 1
10583 B 84.07401 36.000 56.439 1.0000 0.0000 2.77778E-02 0.7002 0 1
10584 B 84.08101 45.000 56.432 1.0000 0.0000 2.22222E-02 0.6992 0 1
10585 B 84.08799 42.000 56.424 1.0000 0.0000 2.38095E-02 0.7002 0 1
10586 B 84.09500 45.000 56.417 1.0000 0.0000 2.22222E-02 0.7002 0 1
10587 B 84.10199 44.000 56.409 1.0000 0.0000 2.27273E-02 0.7002 0 1
10588 B 84.10900 41.000 56.402 1.0000 0.0000 2.43902E-02 0.7002 0 1
10589 B 84.11600 43.000 56.394 1.0000 0.0000 2.32558E-02 0.6992 0 1
10590 B 84.12299 38.000 56.387 1.0000 0.0000 2.63158E-02 0.7002 0 1
10591 B 84.13000 45.000 56.379 1.0000 0.0000 2.22222E-02 0.7002 0 1
10592 B 84.13699 35.000 56.372 1.0000 0.0000 2.85714E-02 0.7002 0 1
10593 B 84.14400 43.000 56.364 1.0000 0.0000 2.32558E-02 0.7002 0 1
10594 B 84.15101 50.000 56.357 1.0000 0.0000 2.00000E-02 0.6992 0 1
10595 B 84.15799 44.000 56.349 1.0000 0.0000 2.27273E-02 0.7002 0 1
10596 B 84.16500 42.000 56.342 1.0000 0.0000 2.38095E-02 0.7002 0 1
10597 B 84.17199 43.000 56.334 1.0000 0.0000 2.32558E-02 0.7002 0 1
10598 B 84.17900 43.000 56.327 1.0000 0.0000 2.32558E-02 0.7002 0 1
10599 B 84.18600 43.000 56.319 1.0000 0.0000 2.32558E-02 0.6992 0 1
10600 B 84.19299 39.000 56.312 1.0000 0.0000 2.56410E-02 0.7002 0 1
10601 B 84.20000 40.000 56.304 1.0000 0.0000 2.50000E-02 0.7002 0 1
10602 B 84.20699 46.000 56.297 1.0000 0.0000 2.17391E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 188
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10603 B 84.21400 37.000 56.289 1.0000 0.0000 2.70270E-02 0.7002 0 1
10604 B 84.22101 41.000 56.282 1.0000 0.0000 2.43902E-02 0.6992 0 1
10605 B 84.22799 44.000 56.275 1.0000 0.0000 2.27273E-02 0.7002 0 1
10606 B 84.23500 41.000 56.267 1.0000 0.0000 2.43902E-02 0.7002 0 1
10607 B 84.24199 38.000 56.260 1.0000 0.0000 2.63158E-02 0.7002 0 1
10608 B 84.24900 35.000 56.252 1.0000 0.0000 2.85714E-02 0.7002 0 1
10609 B 84.25600 46.000 56.245 1.0000 0.0000 2.17391E-02 0.6992 0 1
10610 B 84.26299 47.000 56.237 1.0000 0.0000 2.12766E-02 0.7002 0 1
10611 B 84.27000 47.000 56.230 1.0000 0.0000 2.12766E-02 0.7002 0 1
10612 B 84.27699 45.000 56.222 1.0000 0.0000 2.22222E-02 0.7002 0 1
10613 B 84.28400 48.000 56.215 1.0000 0.0000 2.08333E-02 0.7002 0 1
10614 B 84.29101 49.000 56.208 1.0000 0.0000 2.04082E-02 0.6992 0 1
10615 B 84.29799 38.000 56.200 1.0000 0.0000 2.63158E-02 0.7002 0 1
10616 B 84.30500 43.000 56.193 1.0000 0.0000 2.32558E-02 0.7002 0 1
10617 B 84.31199 39.000 56.185 1.0000 0.0000 2.56410E-02 0.7002 0 1
10618 B 84.31900 33.000 56.178 1.0000 0.0000 3.03030E-02 0.7002 0 1
10619 B 84.32600 32.000 56.171 1.0000 0.0000 3.12500E-02 0.6992 0 1
10620 B 84.33298 44.000 56.163 1.0000 0.0000 2.27273E-02 0.7002 0 1
10621 B 84.34000 46.000 56.156 1.0000 0.0000 2.17391E-02 0.7002 0 1
10622 B 84.34699 33.000 56.148 1.0000 0.0000 3.03030E-02 0.7002 0 1
10623 B 84.35400 37.000 56.141 1.0000 0.0000 2.70270E-02 0.7002 0 1
10624 B 84.36101 39.000 56.133 1.0000 0.0000 2.56410E-02 0.6992 0 1
10625 B 84.36799 48.000 56.126 1.0000 0.0000 2.08333E-02 0.7002 0 1
10626 B 84.37500 47.000 56.119 1.0000 0.0000 2.12766E-02 0.7002 0 1
10627 B 84.38199 40.000 56.111 1.0000 0.0000 2.50000E-02 0.7002 0 1
10628 B 84.38901 39.000 56.104 1.0000 0.0000 2.56410E-02 0.7002 0 1
10629 B 84.39600 40.000 56.097 1.0000 0.0000 2.50000E-02 0.6992 0 1
10630 B 84.40298 42.000 56.089 1.0000 0.0000 2.38095E-02 0.7002 0 1
10631 B 84.41000 40.000 56.082 1.0000 0.0000 2.50000E-02 0.7002 0 1
10632 B 84.41699 44.000 56.074 1.0000 0.0000 2.27273E-02 0.7002 0 1
10633 B 84.42400 38.000 56.067 1.0000 0.0000 2.63158E-02 0.7002 0 1
10634 B 84.43101 37.000 56.060 1.0000 0.0000 2.70270E-02 0.6992 0 1
10635 B 84.43799 47.000 56.052 1.0000 0.0000 2.12766E-02 0.7002 0 1
10636 B 84.44500 43.000 56.045 1.0000 0.0000 2.32558E-02 0.7002 0 1
10637 B 84.45200 37.000 56.038 1.0000 0.0000 2.70270E-02 0.7002 0 1
10638 B 84.45901 43.000 56.030 1.0000 0.0000 2.32558E-02 0.7002 0 1
10639 B 84.46600 30.000 56.023 1.0000 0.0000 3.33333E-02 0.6992 0 1
10640 B 84.47299 35.000 56.016 1.0000 0.0000 2.85714E-02 0.7002 0 1
10641 B 84.48000 47.000 56.008 1.0000 0.0000 2.12766E-02 0.7002 0 1
10642 B 84.48699 47.000 56.001 1.0000 0.0000 2.12766E-02 0.7002 0 1
10643 B 84.49400 45.000 55.994 1.0000 0.0000 2.22222E-02 0.7002 0 1
10644 B 84.50101 35.000 55.986 1.0000 0.0000 2.85714E-02 0.6992 0 1
10645 B 84.50799 45.000 55.979 1.0000 0.0000 2.22222E-02 0.7002 0 1
10646 B 84.51500 42.000 55.972 1.0000 0.0000 2.38095E-02 0.7002 0 1
10647 B 84.52200 39.000 55.964 1.0000 0.0000 2.56410E-02 0.7002 0 1
10648 B 84.52901 38.000 55.957 1.0000 0.0000 2.63158E-02 0.7002 0 1
10649 B 84.53600 49.000 55.950 1.0000 0.0000 2.04082E-02 0.6992 0 1
10650 B 84.54299 48.000 55.942 1.0000 0.0000 2.08333E-02 0.7002 0 1
10651 B 84.55000 42.000 55.935 1.0000 0.0000 2.38095E-02 0.7002 0 1
10652 B 84.55699 41.000 55.928 1.0000 0.0000 2.43902E-02 0.7002 0 1
10653 B 84.56400 45.000 55.920 1.0000 0.0000 2.22222E-02 0.7002 0 1
10654 B 84.57101 42.000 55.913 1.0000 0.0000 2.38095E-02 0.6992 0 1
10655 B 84.57799 50.000 55.906 1.0000 0.0000 2.00000E-02 0.7002 0 1
10656 B 84.58500 42.000 55.898 1.0000 0.0000 2.38095E-02 0.7002 0 1
10657 B 84.59200 43.000 55.891 1.0000 0.0000 2.32558E-02 0.7002 0 1
10658 B 84.59901 48.000 55.884 1.0000 0.0000 2.08333E-02 0.7002 0 1
10659 B 84.60600 43.000 55.877 1.0000 0.0000 2.32558E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 189
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10660 B 84.61299 39.000 55.869 1.0000 0.0000 2.56410E-02 0.7002 0 1
10661 B 84.62000 34.000 55.862 1.0000 0.0000 2.94118E-02 0.7002 0 1
10662 B 84.62699 44.000 55.855 1.0000 0.0000 2.27273E-02 0.7002 0 1
10663 B 84.63400 52.000 55.847 1.0000 0.0000 1.92308E-02 0.7002 0 1
10664 B 84.64101 45.000 55.840 1.0000 0.0000 2.22222E-02 0.6992 0 1
10665 B 84.64799 38.000 55.833 1.0000 0.0000 2.63158E-02 0.7002 0 1
10666 B 84.65500 35.000 55.826 1.0000 0.0000 2.85714E-02 0.7002 0 1
10667 B 84.66199 42.000 55.818 1.0000 0.0000 2.38095E-02 0.7002 0 1
10668 B 84.66901 43.000 55.811 1.0000 0.0000 2.32558E-02 0.7002 0 1
10669 B 84.67600 48.000 55.804 1.0000 0.0000 2.08333E-02 0.6992 0 1
10670 B 84.68299 35.000 55.797 1.0000 0.0000 2.85714E-02 0.7002 0 1
10671 B 84.69000 45.000 55.789 1.0000 0.0000 2.22222E-02 0.7002 0 1
10672 B 84.69699 43.000 55.782 1.0000 0.0000 2.32558E-02 0.7002 0 1
10673 B 84.70400 57.000 55.775 1.0000 0.0000 1.75439E-02 0.7002 0 1
10674 B 84.71101 45.000 55.768 1.0000 0.0000 2.22222E-02 0.6992 0 1
10675 B 84.71799 43.000 55.760 1.0000 0.0000 2.32558E-02 0.7002 0 1
10676 B 84.72500 48.000 55.753 1.0000 0.0000 2.08333E-02 0.7002 0 1
10677 B 84.73199 40.000 55.746 1.0000 0.0000 2.50000E-02 0.7002 0 1
10678 B 84.73901 38.000 55.739 1.0000 0.0000 2.63158E-02 0.7002 0 1
10679 B 84.74600 39.000 55.731 1.0000 0.0000 2.56410E-02 0.6992 0 1
10680 B 84.75299 44.000 55.724 1.0000 0.0000 2.27273E-02 0.7002 0 1
10681 B 84.76000 33.000 55.717 1.0000 0.0000 3.03030E-02 0.7002 0 1
10682 B 84.76699 39.000 55.710 1.0000 0.0000 2.56410E-02 0.7002 0 1
10683 B 84.77400 38.000 55.703 1.0000 0.0000 2.63158E-02 0.7002 0 1
10684 B 84.78101 41.000 55.695 1.0000 0.0000 2.43902E-02 0.6992 0 1
10685 B 84.78799 35.000 55.688 1.0000 0.0000 2.85714E-02 0.7002 0 1
10686 B 84.79500 43.000 55.681 1.0000 0.0000 2.32558E-02 0.7002 0 1
10687 B 84.80199 46.000 55.674 1.0000 0.0000 2.17391E-02 0.7002 0 1
10688 . 84.80901 56.000 55.741 1.0000 0.0000 1.78571E-02 0.7002 51 1
10689 . 84.81601 43.000 55.738 1.0000 0.0000 2.32558E-02 0.6992 51 1
10690 . 84.82299 37.000 55.735 1.0000 0.0000 2.70270E-02 0.7002 51 1
10691 . 84.83000 36.000 55.733 1.0000 0.0000 2.77778E-02 0.7002 51 1
10692 . 84.83699 43.000 55.732 1.0000 0.0000 2.32558E-02 0.7002 51 1
10693 . 84.84400 37.000 55.730 1.0000 0.0000 2.70270E-02 0.7002 51 1
10694 . 84.85101 34.000 55.730 1.0000 0.0000 2.94118E-02 0.6992 51 1
10695 . 84.85799 41.000 55.730 1.0000 0.0000 2.43902E-02 0.7002 51 1
10696 . 84.86500 37.000 55.731 1.0000 0.0000 2.70270E-02 0.7002 51 1
10697 . 84.87199 49.000 55.732 1.0000 0.0000 2.04082E-02 0.7002 51 1
10698 . 84.87901 47.000 55.735 1.0000 0.0000 2.12766E-02 0.7002 51 1
10699 . 84.88601 41.000 55.739 1.0000 0.0000 2.43902E-02 0.6992 51 1
10700 . 84.89299 39.000 55.744 1.0000 0.0000 2.56410E-02 0.7002 51 1
10701 . 84.90000 42.000 55.751 1.0000 0.0000 2.38095E-02 0.7002 51 1
10702 . 84.90699 42.000 55.759 1.0000 0.0000 2.38095E-02 0.7002 51 1
10703 . 84.91400 38.000 55.770 1.0000 0.0000 2.63158E-02 0.7002 51 1
10704 . 84.92101 35.000 55.783 1.0000 0.0000 2.85714E-02 0.6992 51 1
10705 . 84.92799 39.000 55.799 1.0000 0.0000 2.56410E-02 0.7002 51 1
10706 . 84.93500 44.000 55.819 1.0000 0.0000 2.27273E-02 0.7002 51 1
10707 . 84.94199 36.000 55.919 1.0000 0.0000 2.77778E-02 0.7002 51 2
10708 . 84.94901 46.000 55.954 1.0000 0.0000 2.17391E-02 0.7002 51 2
10709 . 84.95601 45.000 55.998 1.0000 0.0000 2.22222E-02 0.6992 51 2
10710 . 84.96299 45.000 56.056 1.0000 0.0000 2.22222E-02 0.7002 51 2
10711 . 84.97000 36.000 56.137 1.0000 0.0000 2.77778E-02 0.7002 51 2
10712 . 84.97699 42.000 56.254 1.0000 0.0000 2.38095E-02 0.7002 51 2
10713 . 84.98400 35.000 56.432 1.0000 0.0000 2.85714E-02 0.7002 51 2
10714 . 84.99100 42.000 56.709 1.0000 0.0000 2.38095E-02 0.6992 51 2
10715 . 84.99799 45.000 57.134 1.0000 0.0000 2.22222E-02 0.7002 51 2
10716 . 85.00500 53.000 57.775 1.0000 0.0000 1.88679E-02 0.7002 51 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 190
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10717 . 85.01199 41.000 58.693 1.0000 0.0000 2.43902E-02 0.7002 51 2
10718 . 85.01900 45.000 59.943 1.0000 0.0000 2.22222E-02 0.7002 51 2
10719 . 85.02601 38.000 61.531 1.0000 0.0000 2.63158E-02 0.6992 51 2
10720 . 85.03299 40.000 63.396 1.0000 0.0000 2.50000E-02 0.7002 51 2
10721 . 85.04000 41.000 65.413 1.0000 0.0000 2.43902E-02 0.7002 51 2
10722 . 85.04699 46.000 67.326 1.0000 0.0000 2.17391E-02 0.7002 51 2
10723 . 85.05400 43.000 68.810 1.0000 0.0000 2.32558E-02 0.7002 51 2
10724 .1 85.06100 39.000 69.500 1.0000 0.0000 2.56410E-02 0.6992 51 2
10725 . 85.06799 46.000 69.238 1.0000 0.0000 2.17391E-02 0.7002 51 3
10726 . 85.07500 44.000 68.047 1.0000 0.0000 2.27273E-02 0.7002 51 3
10727 . 85.08199 42.000 66.295 1.0000 0.0000 2.38095E-02 0.7002 51 3
10728 . 85.08900 39.000 64.333 1.0000 0.0000 2.56410E-02 0.7002 51 3
10729 . 85.09601 37.000 62.453 1.0000 0.0000 2.70270E-02 0.6992 51 3
10730 . 85.10299 45.000 60.841 1.0000 0.0000 2.22222E-02 0.7002 51 3
10731 . 85.11000 39.000 59.585 1.0000 0.0000 2.56410E-02 0.7002 51 3
10732 . 85.11699 41.000 58.732 1.0000 0.0000 2.43902E-02 0.7002 51 3
10733 . 85.12400 42.000 58.276 1.0000 0.0000 2.38095E-02 0.7002 51 3
10734 . 85.13100 40.000 58.210 1.0000 0.0000 2.50000E-02 0.6992 51 3
10735 . 85.13799 36.000 58.530 1.0000 0.0000 2.77778E-02 0.7002 51 3
10736 . 85.14500 53.000 59.246 1.0000 0.0000 1.88679E-02 0.7002 51 3
10737 . 85.15199 44.000 60.360 1.0000 0.0000 2.27273E-02 0.7002 51 3
10738 . 85.15900 39.000 61.856 1.0000 0.0000 2.56410E-02 0.7002 51 3
10739 . 85.16601 40.000 63.655 1.0000 0.0000 2.50000E-02 0.6992 51 3
10740 . 85.17299 43.000 65.597 1.0000 0.0000 2.32558E-02 0.7002 51 3
10741 . 85.18000 46.000 67.447 1.0000 0.0000 2.17391E-02 0.7002 51 3
10742 . 85.18699 44.000 68.853 1.0000 0.0000 2.27273E-02 0.7002 51 3
10743 .1 85.19400 36.000 69.466 1.0000 0.0000 2.77778E-02 0.7002 51 3
10744 . 85.20100 47.000 69.128 1.0000 0.0000 2.12766E-02 0.6992 51 4
10745 . 85.20798 43.000 67.884 1.0000 0.0000 2.32558E-02 0.7002 51 4
10746 . 85.21500 40.000 66.087 1.0000 0.0000 2.50000E-02 0.7002 51 4
10747 . 85.22199 53.000 64.103 1.0000 0.0000 1.88679E-02 0.7002 51 4
10748 . 85.22900 42.000 62.200 1.0000 0.0000 2.38095E-02 0.7002 51 4
10749 . 85.23601 39.000 60.565 1.0000 0.0000 2.56410E-02 0.6992 51 4
10750 . 85.24299 45.000 59.288 1.0000 0.0000 2.22222E-02 0.7002 51 4
10751 . 85.25000 44.000 58.390 1.0000 0.0000 2.27273E-02 0.7002 51 4
10752 . 85.25699 39.000 57.864 1.0000 0.0000 2.56410E-02 0.7002 51 4
10753 . 85.26401 41.000 57.674 1.0000 0.0000 2.43902E-02 0.7002 51 4
10754 . 85.27100 41.000 57.792 1.0000 0.0000 2.43902E-02 0.6992 51 4
10755 . 85.27798 40.000 58.183 1.0000 0.0000 2.50000E-02 0.7002 51 4
10756 . 85.28500 39.000 58.816 1.0000 0.0000 2.56410E-02 0.7002 51 4
10757 . 85.29199 48.000 59.634 1.0000 0.0000 2.08333E-02 0.7002 51 4
10758 . 85.29900 34.000 60.559 1.0000 0.0000 2.94118E-02 0.7002 51 4
10759 . 85.30601 30.000 61.461 1.0000 0.0000 3.33333E-02 0.6992 51 4
10760 . 85.31299 47.000 62.171 1.0000 0.0000 2.12766E-02 0.7002 51 4
10761 .1 85.32000 48.000 62.439 1.0000 0.0000 2.08333E-02 0.7002 52 3
10762 . 85.32700 48.000 62.299 1.0000 0.0000 2.08333E-02 0.7002 52 3
10763 . 85.33401 38.000 61.709 1.0000 0.0000 2.63158E-02 0.7002 52 3
10764 . 85.34100 51.000 60.827 1.0000 0.0000 1.96078E-02 0.6992 52 3
10765 . 85.34799 42.000 59.836 1.0000 0.0000 2.38095E-02 0.7002 52 3
10766 . 85.35500 43.000 58.871 1.0000 0.0000 2.32558E-02 0.7002 52 3
10767 . 85.36199 42.000 58.035 1.0000 0.0000 2.38095E-02 0.7002 52 3
10768 . 85.36900 44.000 57.375 1.0000 0.0000 2.27273E-02 0.7002 52 3
10769 . 85.37601 50.000 56.914 1.0000 0.0000 2.00000E-02 0.6992 52 3
10770 . 85.38299 45.000 56.652 1.0000 0.0000 2.22222E-02 0.7002 52 3
10771 . 85.39000 42.000 56.581 1.0000 0.0000 2.38095E-02 0.7002 52 3
10772 . 85.39700 38.000 56.700 1.0000 0.0000 2.63158E-02 0.7002 52 3
10773 . 85.40401 47.000 57.014 1.0000 0.0000 2.12766E-02 0.7002 52 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 191
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10774 . 85.41100 53.000 57.526 1.0000 0.0000 1.88679E-02 0.6992 52 3
10775 . 85.41799 48.000 58.226 1.0000 0.0000 2.08333E-02 0.7002 52 3
10776 . 85.42500 38.000 59.088 1.0000 0.0000 2.63158E-02 0.7002 52 3
10777 . 85.43199 50.000 60.037 1.0000 0.0000 2.00000E-02 0.7002 52 3
10778 . 85.43900 51.000 60.962 1.0000 0.0000 1.96078E-02 0.7002 52 3
10779 . 85.44601 43.000 61.621 1.0000 0.0000 2.32558E-02 0.6992 53 2
10780 .1 85.45299 33.000 61.990 1.0000 0.0000 3.03030E-02 0.7002 53 2
10781 . 85.46000 50.000 61.875 1.0000 0.0000 2.00000E-02 0.7002 53 2
10782 . 85.46700 42.000 61.306 1.0000 0.0000 2.38095E-02 0.7002 53 2
10783 . 85.47401 43.000 60.430 1.0000 0.0000 2.32558E-02 0.7002 53 2
10784 . 85.48100 46.000 59.430 1.0000 0.0000 2.17391E-02 0.6992 53 2
10785 . 85.48799 40.000 58.450 1.0000 0.0000 2.50000E-02 0.7002 53 2
10786 . 85.49500 32.000 57.578 1.0000 0.0000 3.12500E-02 0.7002 53 2
10787 . 85.50199 39.000 56.866 1.0000 0.0000 2.56410E-02 0.7002 53 2
10788 . 85.50900 51.000 56.320 1.0000 0.0000 1.96078E-02 0.7002 53 2
10789 . 85.51601 52.000 55.927 1.0000 0.0000 1.92308E-02 0.6992 53 2
10790 . 85.52299 46.000 55.656 1.0000 0.0000 2.17391E-02 0.7002 53 2
10791 . 85.53000 54.000 55.475 1.0000 0.0000 1.85185E-02 0.7002 53 2
10792 . 85.53699 55.000 55.354 1.0000 0.0000 1.81818E-02 0.7002 53 2
10793 . 85.54401 52.000 55.272 1.0000 0.0000 1.92308E-02 0.7002 53 2
10794 . 85.55100 42.000 55.214 1.0000 0.0000 2.38095E-02 0.6992 53 2
10795 . 85.55799 45.000 55.169 1.0000 0.0000 2.22222E-02 0.7002 53 2
10796 . 85.56500 40.000 55.134 1.0000 0.0000 2.50000E-02 0.7002 53 2
10797 . 85.57199 40.000 55.104 1.0000 0.0000 2.50000E-02 0.7002 53 2
10798 . 85.57900 44.000 55.041 1.0000 0.0000 2.27273E-02 0.7002 54 1
10799 . 85.58601 49.000 55.020 1.0000 0.0000 2.04082E-02 0.6992 54 1
10800 . 85.59299 52.000 55.000 1.0000 0.0000 1.92308E-02 0.7002 54 1
10801 . 85.60000 43.000 54.983 1.0000 0.0000 2.32558E-02 0.7002 54 1
10802 . 85.60699 44.000 54.966 1.0000 0.0000 2.27273E-02 0.7002 54 1
10803 . 85.61401 43.000 54.951 1.0000 0.0000 2.32558E-02 0.7002 54 1
10804 . 85.62100 40.000 54.937 1.0000 0.0000 2.50000E-02 0.6992 54 1
10805 . 85.62799 42.000 54.924 1.0000 0.0000 2.38095E-02 0.7002 54 1
10806 . 85.63500 43.000 54.911 1.0000 0.0000 2.32558E-02 0.7002 54 1
10807 . 85.64199 52.000 54.899 1.0000 0.0000 1.92308E-02 0.7002 54 1
10808 . 85.64900 35.000 54.888 1.0000 0.0000 2.85714E-02 0.7002 54 1
10809 . 85.65601 37.000 54.877 1.0000 0.0000 2.70270E-02 0.6992 54 1
10810 . 85.66299 47.000 54.866 1.0000 0.0000 2.12766E-02 0.7002 54 1
10811 . 85.67000 48.000 54.856 1.0000 0.0000 2.08333E-02 0.7002 54 1
10812 . 85.67699 39.000 54.846 1.0000 0.0000 2.56410E-02 0.7002 54 1
10813 . 85.68401 40.000 54.836 1.0000 0.0000 2.50000E-02 0.7002 54 1
10814 . 85.69101 38.000 54.827 1.0000 0.0000 2.63158E-02 0.6992 54 1
10815 . 85.69799 38.000 54.817 1.0000 0.0000 2.63158E-02 0.7002 54 1
10816 . 85.70500 44.000 54.808 1.0000 0.0000 2.27273E-02 0.7002 54 1
10817 B 85.71199 53.000 54.763 1.0000 0.0000 1.88679E-02 0.7002 0 1
10818 B 85.71900 51.000 54.757 1.0000 0.0000 1.96078E-02 0.7002 0 1
10819 B 85.72601 52.000 54.750 1.0000 0.0000 1.92308E-02 0.6992 0 1
10820 B 85.73299 39.000 54.743 1.0000 0.0000 2.56410E-02 0.7002 0 1
10821 B 85.74000 36.000 54.736 1.0000 0.0000 2.77778E-02 0.7002 0 1
10822 B 85.74699 34.000 54.730 1.0000 0.0000 2.94118E-02 0.7002 0 1
10823 B 85.75401 40.000 54.723 1.0000 0.0000 2.50000E-02 0.7002 0 1
10824 B 85.76101 40.000 54.716 1.0000 0.0000 2.50000E-02 0.6992 0 1
10825 B 85.76799 51.000 54.709 1.0000 0.0000 1.96078E-02 0.7002 0 1
10826 B 85.77500 46.000 54.702 1.0000 0.0000 2.17391E-02 0.7002 0 1
10827 B 85.78199 46.000 54.696 1.0000 0.0000 2.17391E-02 0.7002 0 1
10828 B 85.78900 48.000 54.689 1.0000 0.0000 2.08333E-02 0.7002 0 1
10829 B 85.79601 44.000 54.682 1.0000 0.0000 2.27273E-02 0.6992 0 1
10830 B 85.80299 41.000 54.675 1.0000 0.0000 2.43902E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 192
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10831 B 85.81000 45.000 54.669 1.0000 0.0000 2.22222E-02 0.7002 0 1
10832 B 85.81699 43.000 54.662 1.0000 0.0000 2.32558E-02 0.7002 0 1
10833 B 85.82401 35.000 54.655 1.0000 0.0000 2.85714E-02 0.7002 0 1
10834 B 85.83101 38.000 54.648 1.0000 0.0000 2.63158E-02 0.6992 0 1
10835 B 85.83799 46.000 54.642 1.0000 0.0000 2.17391E-02 0.7002 0 1
10836 B 85.84500 53.000 54.635 1.0000 0.0000 1.88679E-02 0.7002 0 1
10837 B 85.85199 40.000 54.628 1.0000 0.0000 2.50000E-02 0.7002 0 1
10838 B 85.85900 41.000 54.621 1.0000 0.0000 2.43902E-02 0.7002 0 1
10839 B 85.86600 46.000 54.615 1.0000 0.0000 2.17391E-02 0.6992 0 1
10840 B 85.87299 35.000 54.608 1.0000 0.0000 2.85714E-02 0.7002 0 1
10841 B 85.88000 40.000 54.601 1.0000 0.0000 2.50000E-02 0.7002 0 1
10842 B 85.88699 46.000 54.594 1.0000 0.0000 2.17391E-02 0.7002 0 1
10843 B 85.89400 43.000 54.588 1.0000 0.0000 2.32558E-02 0.7002 0 1
10844 B 85.90101 43.000 54.581 1.0000 0.0000 2.32558E-02 0.6992 0 1
10845 B 85.90799 42.000 54.574 1.0000 0.0000 2.38095E-02 0.7002 0 1
10846 B 85.91500 39.000 54.568 1.0000 0.0000 2.56410E-02 0.7002 0 1
10847 B 85.92199 39.000 54.561 1.0000 0.0000 2.56410E-02 0.7002 0 1
10848 B 85.92900 41.000 54.554 1.0000 0.0000 2.43902E-02 0.7002 0 1
10849 B 85.93600 49.000 54.547 1.0000 0.0000 2.04082E-02 0.6992 0 1
10850 B 85.94299 42.000 54.541 1.0000 0.0000 2.38095E-02 0.7002 0 1
10851 B 85.95000 51.000 54.534 1.0000 0.0000 1.96078E-02 0.7002 0 1
10852 B 85.95699 35.000 54.527 1.0000 0.0000 2.85714E-02 0.7002 0 1
10853 B 85.96400 40.000 54.521 1.0000 0.0000 2.50000E-02 0.7002 0 1
10854 B 85.97101 53.000 54.514 1.0000 0.0000 1.88679E-02 0.6992 0 1
10855 B 85.97799 40.000 54.507 1.0000 0.0000 2.50000E-02 0.7002 0 1
10856 B 85.98500 46.000 54.501 1.0000 0.0000 2.17391E-02 0.7002 0 1
10857 B 85.99199 46.000 54.494 1.0000 0.0000 2.17391E-02 0.7002 0 1
10858 B 85.99900 42.000 54.487 1.0000 0.0000 2.38095E-02 0.7002 0 1
10859 B 86.00600 44.000 54.481 1.0000 0.0000 2.27273E-02 0.6992 0 1
10860 B 86.01299 39.000 54.474 1.0000 0.0000 2.56410E-02 0.7002 0 1
10861 B 86.02000 39.000 54.467 1.0000 0.0000 2.56410E-02 0.7002 0 1
10862 B 86.02699 41.000 54.461 1.0000 0.0000 2.43902E-02 0.7002 0 1
10863 B 86.03400 43.000 54.454 1.0000 0.0000 2.32558E-02 0.7002 0 1
10864 B 86.04101 45.000 54.447 1.0000 0.0000 2.22222E-02 0.6992 0 1
10865 B 86.04799 44.000 54.441 1.0000 0.0000 2.27273E-02 0.7002 0 1
10866 B 86.05500 56.000 54.434 1.0000 0.0000 1.78571E-02 0.7002 0 1
10867 B 86.06199 54.000 54.427 1.0000 0.0000 1.85185E-02 0.7002 0 1
10868 B 86.06900 51.000 54.421 1.0000 0.0000 1.96078E-02 0.7002 0 1
10869 B 86.07600 46.000 54.414 1.0000 0.0000 2.17391E-02 0.6992 0 1
10870 B 86.08298 58.000 54.407 1.0000 0.0000 1.72414E-02 0.7002 0 1
10871 B 86.09000 47.000 54.401 1.0000 0.0000 2.12766E-02 0.7002 0 1
10872 B 86.09699 46.000 54.394 1.0000 0.0000 2.17391E-02 0.7002 0 1
10873 B 86.10400 43.000 54.387 1.0000 0.0000 2.32558E-02 0.7002 0 1
10874 B 86.11101 44.000 54.381 1.0000 0.0000 2.27273E-02 0.6992 0 1
10875 B 86.11799 33.000 54.374 1.0000 0.0000 3.03030E-02 0.7002 0 1
10876 B 86.12500 38.000 54.368 1.0000 0.0000 2.63158E-02 0.7002 0 1
10877 B 86.13199 41.000 54.361 1.0000 0.0000 2.43902E-02 0.7002 0 1
10878 B 86.13901 37.000 54.354 1.0000 0.0000 2.70270E-02 0.7002 0 1
10879 B 86.14600 41.000 54.348 1.0000 0.0000 2.43902E-02 0.6992 0 1
10880 B 86.15298 43.000 54.341 1.0000 0.0000 2.32558E-02 0.7002 0 1
10881 B 86.16000 40.000 54.334 1.0000 0.0000 2.50000E-02 0.7002 0 1
10882 B 86.16699 49.000 54.328 1.0000 0.0000 2.04082E-02 0.7002 0 1
10883 B 86.17400 52.000 54.321 1.0000 0.0000 1.92308E-02 0.7002 0 1
10884 B 86.18101 51.000 54.315 1.0000 0.0000 1.96078E-02 0.6992 0 1
10885 B 86.18799 46.000 54.308 1.0000 0.0000 2.17391E-02 0.7002 0 1
10886 B 86.19500 47.000 54.301 1.0000 0.0000 2.12766E-02 0.7002 0 1
10887 B 86.20200 48.000 54.295 1.0000 0.0000 2.08333E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 193
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10888 B 86.20901 44.000 54.288 1.0000 0.0000 2.27273E-02 0.7002 0 1
10889 B 86.21600 48.000 54.282 1.0000 0.0000 2.08333E-02 0.6992 0 1
10890 B 86.22299 43.000 54.275 1.0000 0.0000 2.32558E-02 0.7002 0 1
10891 B 86.23000 47.000 54.269 1.0000 0.0000 2.12766E-02 0.7002 0 1
10892 B 86.23699 38.000 54.262 1.0000 0.0000 2.63158E-02 0.7002 0 1
10893 B 86.24400 43.000 54.255 1.0000 0.0000 2.32558E-02 0.7002 0 1
10894 B 86.25101 51.000 54.249 1.0000 0.0000 1.96078E-02 0.6992 0 1
10895 B 86.25799 46.000 54.242 1.0000 0.0000 2.17391E-02 0.7002 0 1
10896 B 86.26500 47.000 54.236 1.0000 0.0000 2.12766E-02 0.7002 0 1
10897 B 86.27200 47.000 54.229 1.0000 0.0000 2.12766E-02 0.7002 0 1
10898 B 86.27901 54.000 54.223 1.0000 0.0000 1.85185E-02 0.7002 0 1
10899 B 86.28600 51.000 54.216 1.0000 0.0000 1.96078E-02 0.6992 0 1
10900 B 86.29299 38.000 54.210 1.0000 0.0000 2.63158E-02 0.7002 0 1
10901 B 86.30000 46.000 54.203 1.0000 0.0000 2.17391E-02 0.7002 0 1
10902 B 86.30699 49.000 54.196 1.0000 0.0000 2.04082E-02 0.7002 0 1
10903 B 86.31400 58.000 54.190 1.0000 0.0000 1.72414E-02 0.7002 0 1
10904 B 86.32101 48.000 54.183 1.0000 0.0000 2.08333E-02 0.6992 0 1
10905 B 86.32799 42.000 54.177 1.0000 0.0000 2.38095E-02 0.7002 0 1
10906 B 86.33500 42.000 54.170 1.0000 0.0000 2.38095E-02 0.7002 0 1
10907 B 86.34200 47.000 54.164 1.0000 0.0000 2.12766E-02 0.7002 0 1
10908 B 86.34901 50.000 54.157 1.0000 0.0000 2.00000E-02 0.7002 0 1
10909 B 86.35600 46.000 54.151 1.0000 0.0000 2.17391E-02 0.6992 0 1
10910 B 86.36299 42.000 54.144 1.0000 0.0000 2.38095E-02 0.7002 0 1
10911 B 86.37000 56.000 54.138 1.0000 0.0000 1.78571E-02 0.7002 0 1
10912 B 86.37699 54.000 54.131 1.0000 0.0000 1.85185E-02 0.7002 0 1
10913 B 86.38400 43.000 54.125 1.0000 0.0000 2.32558E-02 0.7002 0 1
10914 B 86.39101 41.000 54.118 1.0000 0.0000 2.43902E-02 0.6992 0 1
10915 B 86.39799 69.000 54.112 1.0000 0.0000 1.44928E-02 0.7002 0 1
10916 B 86.40500 44.000 54.105 1.0000 0.0000 2.27273E-02 0.7002 0 1
10917 B 86.41199 50.000 54.099 1.0000 0.0000 2.00000E-02 0.7002 0 1
10918 B 86.41901 50.000 54.092 1.0000 0.0000 2.00000E-02 0.7002 0 1
10919 B 86.42600 61.000 54.086 1.0000 0.0000 1.63934E-02 0.6992 0 1
10920 B 86.43299 55.000 54.079 1.0000 0.0000 1.81818E-02 0.7002 0 1
10921 B 86.44000 45.000 54.073 1.0000 0.0000 2.22222E-02 0.7002 0 1
10922 B 86.44699 43.000 54.066 1.0000 0.0000 2.32558E-02 0.7002 0 1
10923 B 86.45400 48.000 54.060 1.0000 0.0000 2.08333E-02 0.7002 0 1
10924 B 86.46101 55.000 54.053 1.0000 0.0000 1.81818E-02 0.6992 0 1
10925 B 86.46799 48.000 54.047 1.0000 0.0000 2.08333E-02 0.7002 0 1
10926 B 86.47500 42.000 54.040 1.0000 0.0000 2.38095E-02 0.7002 0 1
10927 B 86.48199 45.000 54.034 1.0000 0.0000 2.22222E-02 0.7002 0 1
10928 B 86.48901 61.000 54.027 1.0000 0.0000 1.63934E-02 0.7002 0 1
10929 B 86.49600 44.000 54.021 1.0000 0.0000 2.27273E-02 0.6992 0 1
10930 B 86.50299 53.000 54.015 1.0000 0.0000 1.88679E-02 0.7002 0 1
10931 B 86.51000 56.000 54.008 1.0000 0.0000 1.78571E-02 0.7002 0 1
10932 B 86.51699 53.000 54.002 1.0000 0.0000 1.88679E-02 0.7002 0 1
10933 B 86.52400 50.000 53.995 1.0000 0.0000 2.00000E-02 0.7002 0 1
10934 B 86.53101 64.000 53.989 1.0000 0.0000 1.56250E-02 0.6992 0 1
10935 B 86.53799 55.000 53.982 1.0000 0.0000 1.81818E-02 0.7002 0 1
10936 B 86.54500 49.000 53.976 1.0000 0.0000 2.04082E-02 0.7002 0 1
10937 B 86.55199 47.000 53.969 1.0000 0.0000 2.12766E-02 0.7002 0 1
10938 B 86.55901 51.000 53.963 1.0000 0.0000 1.96078E-02 0.7002 0 1
10939 B 86.56601 51.000 53.957 1.0000 0.0000 1.96078E-02 0.6992 0 1
10940 B 86.57299 51.000 53.950 1.0000 0.0000 1.96078E-02 0.7002 0 1
10941 B 86.58000 55.000 53.944 1.0000 0.0000 1.81818E-02 0.7002 0 1
10942 B 86.58699 49.000 53.937 1.0000 0.0000 2.04082E-02 0.7002 0 1
10943 B 86.59400 55.000 53.931 1.0000 0.0000 1.81818E-02 0.7002 0 1
10944 B 86.60101 52.000 53.924 1.0000 0.0000 1.92308E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 194
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
10945 B 86.60799 54.000 53.918 1.0000 0.0000 1.85185E-02 0.7002 0 1
10946 B 86.61500 48.000 53.912 1.0000 0.0000 2.08333E-02 0.7002 0 1
10947 B 86.62199 48.000 53.905 1.0000 0.0000 2.08333E-02 0.7002 0 1
10948 B 86.62901 52.000 53.899 1.0000 0.0000 1.92308E-02 0.7002 0 1
10949 B 86.63601 43.000 53.892 1.0000 0.0000 2.32558E-02 0.6992 0 1
10950 B 86.64299 40.000 53.886 1.0000 0.0000 2.50000E-02 0.7002 0 1
10951 B 86.65000 40.000 53.880 1.0000 0.0000 2.50000E-02 0.7002 0 1
10952 B 86.65699 39.000 53.873 1.0000 0.0000 2.56410E-02 0.7002 0 1
10953 B 86.66400 46.000 53.867 1.0000 0.0000 2.17391E-02 0.7002 0 1
10954 B 86.67101 40.000 53.861 1.0000 0.0000 2.50000E-02 0.6992 0 1
10955 B 86.67799 47.000 53.854 1.0000 0.0000 2.12766E-02 0.7002 0 1
10956 B 86.68500 52.000 53.848 1.0000 0.0000 1.92308E-02 0.7002 0 1
10957 B 86.69199 52.000 53.841 1.0000 0.0000 1.92308E-02 0.7002 0 1
10958 B 86.69901 48.000 53.835 1.0000 0.0000 2.08333E-02 0.7002 0 1
10959 B 86.70601 54.000 53.829 1.0000 0.0000 1.85185E-02 0.6992 0 1
10960 B 86.71299 54.000 53.822 1.0000 0.0000 1.85185E-02 0.7002 0 1
10961 B 86.72000 49.000 53.816 1.0000 0.0000 2.04082E-02 0.7002 0 1
10962 B 86.72699 58.000 53.810 1.0000 0.0000 1.72414E-02 0.7002 0 1
10963 B 86.73400 52.000 53.803 1.0000 0.0000 1.92308E-02 0.7002 0 1
10964 B 86.74100 53.000 53.797 1.0000 0.0000 1.88679E-02 0.6992 0 1
10965 B 86.74799 67.000 53.791 1.0000 0.0000 1.49254E-02 0.7002 0 1
10966 B 86.75500 65.000 53.784 1.0000 0.0000 1.53846E-02 0.7002 0 1
10967 B 86.76199 57.000 53.778 1.0000 0.0000 1.75439E-02 0.7002 0 1
10968 B 86.76900 51.000 53.771 1.0000 0.0000 1.96078E-02 0.7002 0 1
10969 B 86.77601 47.000 53.765 1.0000 0.0000 2.12766E-02 0.6992 0 1
10970 B 86.78299 52.000 53.759 1.0000 0.0000 1.92308E-02 0.7002 0 1
10971 B 86.79000 58.000 53.752 1.0000 0.0000 1.72414E-02 0.7002 0 1
10972 B 86.79699 48.000 53.746 1.0000 0.0000 2.08333E-02 0.7002 0 1
10973 B 86.80400 54.000 53.740 1.0000 0.0000 1.85185E-02 0.7002 0 1
10974 B 86.81100 40.000 53.734 1.0000 0.0000 2.50000E-02 0.6992 0 1
10975 B 86.81799 47.000 53.727 1.0000 0.0000 2.12766E-02 0.7002 0 1
10976 B 86.82500 41.000 53.721 1.0000 0.0000 2.43902E-02 0.7002 0 1
10977 B 86.83199 63.000 53.715 1.0000 0.0000 1.58730E-02 0.7002 0 1
10978 B 86.83900 48.000 53.708 1.0000 0.0000 2.08333E-02 0.7002 0 1
10979 B 86.84601 58.000 53.702 1.0000 0.0000 1.72414E-02 0.6992 0 1
10980 B 86.85299 53.000 53.696 1.0000 0.0000 1.88679E-02 0.7002 0 1
10981 B 86.86000 54.000 53.689 1.0000 0.0000 1.85185E-02 0.7002 0 1
10982 B 86.86699 51.000 53.683 1.0000 0.0000 1.96078E-02 0.7002 0 1
10983 B 86.87400 56.000 53.677 1.0000 0.0000 1.78571E-02 0.7002 0 1
10984 B 86.88100 55.000 53.670 1.0000 0.0000 1.81818E-02 0.6992 0 1
10985 B 86.88799 48.000 53.664 1.0000 0.0000 2.08333E-02 0.7002 0 1
10986 B 86.89500 43.000 53.658 1.0000 0.0000 2.32558E-02 0.7002 0 1
10987 B 86.90199 47.000 53.652 1.0000 0.0000 2.12766E-02 0.7002 0 1
10988 B 86.90900 54.000 53.645 1.0000 0.0000 1.85185E-02 0.7002 0 1
10989 B 86.91601 40.000 53.639 1.0000 0.0000 2.50000E-02 0.6992 0 1
10990 B 86.92299 46.000 53.633 1.0000 0.0000 2.17391E-02 0.7002 0 1
10991 B 86.93000 63.000 53.627 1.0000 0.0000 1.58730E-02 0.7002 0 1
10992 B 86.93699 52.000 53.620 1.0000 0.0000 1.92308E-02 0.7002 0 1
10993 B 86.94400 53.000 53.614 1.0000 0.0000 1.88679E-02 0.7002 0 1
10994 B 86.95100 45.000 53.608 1.0000 0.0000 2.22222E-02 0.6992 0 1
10995 B 86.95798 54.000 53.602 1.0000 0.0000 1.85185E-02 0.7002 0 1
10996 B 86.96500 54.000 53.595 1.0000 0.0000 1.85185E-02 0.7002 0 1
10997 B 86.97199 56.000 53.589 1.0000 0.0000 1.78571E-02 0.7002 0 1
10998 B 86.97900 53.000 53.583 1.0000 0.0000 1.88679E-02 0.7002 0 1
10999 B 86.98601 60.000 53.576 1.0000 0.0000 1.66667E-02 0.6992 0 1
11000 B 86.99299 64.000 53.570 1.0000 0.0000 1.56250E-02 0.7002 0 1
11001 B 87.00000 65.000 53.564 1.0000 0.0000 1.53846E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 195
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11002 B 87.00699 57.000 53.558 1.0000 0.0000 1.75439E-02 0.7002 0 1
11003 B 87.01401 55.000 53.552 1.0000 0.0000 1.81818E-02 0.7002 0 1
11004 B 87.02100 59.000 53.545 1.0000 0.0000 1.69492E-02 0.6992 0 1
11005 B 87.02798 53.000 53.539 1.0000 0.0000 1.88679E-02 0.7002 0 1
11006 B 87.03500 52.000 53.533 1.0000 0.0000 1.92308E-02 0.7002 0 1
11007 B 87.04199 58.000 53.527 1.0000 0.0000 1.72414E-02 0.7002 0 1
11008 B 87.04900 67.000 53.520 1.0000 0.0000 1.49254E-02 0.7002 0 1
11009 B 87.05601 55.000 53.514 1.0000 0.0000 1.81818E-02 0.6992 0 1
11010 B 87.06299 56.000 53.508 1.0000 0.0000 1.78571E-02 0.7002 0 1
11011 B 87.07000 51.000 53.502 1.0000 0.0000 1.96078E-02 0.7002 0 1
11012 B 87.07700 55.000 53.496 1.0000 0.0000 1.81818E-02 0.7002 0 1
11013 B 87.08401 52.000 53.489 1.0000 0.0000 1.92308E-02 0.7002 0 1
11014 B 87.09100 56.000 53.483 1.0000 0.0000 1.78571E-02 0.6992 0 1
11015 B 87.09799 64.000 53.477 1.0000 0.0000 1.56250E-02 0.7002 0 1
11016 B 87.10500 55.000 53.471 1.0000 0.0000 1.81818E-02 0.7002 0 1
11017 B 87.11199 55.000 53.465 1.0000 0.0000 1.81818E-02 0.7002 0 1
11018 B 87.11900 51.000 53.458 1.0000 0.0000 1.96078E-02 0.7002 0 1
11019 B 87.12601 55.000 53.452 1.0000 0.0000 1.81818E-02 0.6992 0 1
11020 B 87.13299 62.000 53.446 1.0000 0.0000 1.61290E-02 0.7002 0 1
11021 B 87.14000 55.000 53.440 1.0000 0.0000 1.81818E-02 0.7002 0 1
11022 B 87.14700 56.000 53.434 1.0000 0.0000 1.78571E-02 0.7002 0 1
11023 B 87.15401 53.000 53.428 1.0000 0.0000 1.88679E-02 0.7002 0 1
11024 B 87.16100 54.000 53.421 1.0000 0.0000 1.85185E-02 0.6992 0 1
11025 B 87.16799 57.000 53.415 1.0000 0.0000 1.75439E-02 0.7002 0 1
11026 B 87.17500 55.000 53.409 1.0000 0.0000 1.81818E-02 0.7002 0 1
11027 B 87.18199 54.000 53.403 1.0000 0.0000 1.85185E-02 0.7002 0 1
11028 B 87.18900 56.000 53.397 1.0000 0.0000 1.78571E-02 0.7002 0 1
11029 B 87.19601 58.000 53.391 1.0000 0.0000 1.72414E-02 0.6992 0 1
11030 B 87.20299 62.000 53.384 1.0000 0.0000 1.61290E-02 0.7002 0 1
11031 B 87.21000 60.000 53.378 1.0000 0.0000 1.66667E-02 0.7002 0 1
11032 B 87.21700 60.000 53.372 1.0000 0.0000 1.66667E-02 0.7002 0 1
11033 B 87.22401 82.000 53.366 1.0000 0.0000 1.21951E-02 0.7002 0 1
11034 B 87.23100 64.000 53.360 1.0000 0.0000 1.56250E-02 0.6992 0 1
11035 B 87.23799 55.000 53.354 1.0000 0.0000 1.81818E-02 0.7002 0 1
11036 B 87.24500 60.000 53.348 1.0000 0.0000 1.66667E-02 0.7002 0 1
11037 B 87.25199 63.000 53.342 1.0000 0.0000 1.58730E-02 0.7002 0 1
11038 B 87.25900 65.000 53.335 1.0000 0.0000 1.53846E-02 0.7002 0 1
11039 B 87.26601 61.000 53.329 1.0000 0.0000 1.63934E-02 0.6992 0 1
11040 B 87.27299 57.000 53.323 1.0000 0.0000 1.75439E-02 0.7002 0 1
11041 B 87.28000 62.000 53.317 1.0000 0.0000 1.61290E-02 0.7002 0 1
11042 B 87.28699 61.000 53.311 1.0000 0.0000 1.63934E-02 0.7002 0 1
11043 B 87.29401 65.000 53.305 1.0000 0.0000 1.53846E-02 0.7002 0 1
11044 B 87.30100 63.000 53.299 1.0000 0.0000 1.58730E-02 0.6992 0 1
11045 B 87.30799 69.000 53.293 1.0000 0.0000 1.44928E-02 0.7002 0 1
11046 B 87.31500 57.000 53.287 1.0000 0.0000 1.75439E-02 0.7002 0 1
11047 B 87.32199 52.000 53.280 1.0000 0.0000 1.92308E-02 0.7002 0 1
11048 B 87.32900 45.000 53.274 1.0000 0.0000 2.22222E-02 0.7002 0 1
11049 B 87.33601 53.000 53.268 1.0000 0.0000 1.88679E-02 0.6992 0 1
11050 B 87.34299 61.000 53.262 1.0000 0.0000 1.63934E-02 0.7002 0 1
11051 B 87.35000 68.000 53.256 1.0000 0.0000 1.47059E-02 0.7002 0 1
11052 B 87.35699 57.000 53.250 1.0000 0.0000 1.75439E-02 0.7002 0 1
11053 B 87.36401 72.000 53.244 1.0000 0.0000 1.38889E-02 0.7002 0 1
11054 B 87.37100 74.000 53.238 1.0000 0.0000 1.35135E-02 0.6992 0 1
11055 B 87.37799 53.000 53.232 1.0000 0.0000 1.88679E-02 0.7002 0 1
11056 B 87.38500 57.000 53.226 1.0000 0.0000 1.75439E-02 0.7002 0 1
11057 B 87.39199 63.000 53.220 1.0000 0.0000 1.58730E-02 0.7002 0 1
11058 B 87.39900 62.000 53.214 1.0000 0.0000 1.61290E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 196
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11059 B 87.40601 66.000 53.208 1.0000 0.0000 1.51515E-02 0.6992 0 1
11060 B 87.41299 66.000 53.201 1.0000 0.0000 1.51515E-02 0.7002 0 1
11061 B 87.42000 71.000 53.195 1.0000 0.0000 1.40845E-02 0.7002 0 1
11062 B 87.42699 74.000 53.189 1.0000 0.0000 1.35135E-02 0.7002 0 1
11063 B 87.43401 72.000 53.183 1.0000 0.0000 1.38889E-02 0.7002 0 1
11064 B 87.44101 75.000 53.177 1.0000 0.0000 1.33333E-02 0.6992 0 1
11065 B 87.44799 62.000 53.171 1.0000 0.0000 1.61290E-02 0.7002 0 1
11066 B 87.45500 70.000 53.165 1.0000 0.0000 1.42857E-02 0.7002 0 1
11067 B 87.46199 63.000 53.159 1.0000 0.0000 1.58730E-02 0.7002 0 1
11068 B 87.46900 69.000 53.153 1.0000 0.0000 1.44928E-02 0.7002 0 1
11069 B 87.47601 62.000 53.147 1.0000 0.0000 1.61290E-02 0.6992 0 1
11070 B 87.48299 62.000 53.141 1.0000 0.0000 1.61290E-02 0.7002 0 1
11071 B 87.49000 67.000 53.135 1.0000 0.0000 1.49254E-02 0.7002 0 1
11072 B 87.49699 60.000 53.129 1.0000 0.0000 1.66667E-02 0.7002 0 1
11073 B 87.50401 71.000 53.123 1.0000 0.0000 1.40845E-02 0.7002 0 1
11074 B 87.51101 65.000 53.117 1.0000 0.0000 1.53846E-02 0.6992 0 1
11075 B 87.51799 62.000 53.111 1.0000 0.0000 1.61290E-02 0.7002 0 1
11076 B 87.52500 66.000 53.105 1.0000 0.0000 1.51515E-02 0.7002 0 1
11077 B 87.53199 67.000 53.099 1.0000 0.0000 1.49254E-02 0.7002 0 1
11078 B 87.53900 69.000 53.093 1.0000 0.0000 1.44928E-02 0.7002 0 1
11079 B 87.54601 70.000 53.087 1.0000 0.0000 1.42857E-02 0.6992 0 1
11080 B 87.55299 68.000 53.081 1.0000 0.0000 1.47059E-02 0.7002 0 1
11081 B 87.56000 78.000 53.075 1.0000 0.0000 1.28205E-02 0.7002 0 1
11082 B 87.56699 75.000 53.069 1.0000 0.0000 1.33333E-02 0.7002 0 1
11083 B 87.57401 76.000 53.063 1.0000 0.0000 1.31579E-02 0.7002 0 1
11084 B 87.58101 63.000 53.057 1.0000 0.0000 1.58730E-02 0.6992 0 1
11085 B 87.58799 69.000 53.051 1.0000 0.0000 1.44928E-02 0.7002 0 1
11086 B 87.59500 79.000 53.045 1.0000 0.0000 1.26582E-02 0.7002 0 1
11087 B 87.60199 67.000 53.039 1.0000 0.0000 1.49254E-02 0.7002 0 1
11088 B 87.60900 77.000 53.033 1.0000 0.0000 1.29870E-02 0.7002 0 1
11089 B 87.61600 73.000 53.027 1.0000 0.0000 1.36986E-02 0.6992 0 1
11090 B 87.62299 78.000 53.021 1.0000 0.0000 1.28205E-02 0.7002 0 1
11091 B 87.63000 77.000 53.015 1.0000 0.0000 1.29870E-02 0.7002 0 1
11092 B 87.63699 82.000 53.009 1.0000 0.0000 1.21951E-02 0.7002 0 1
11093 B 87.64400 73.000 53.003 1.0000 0.0000 1.36986E-02 0.7002 0 1
11094 B 87.65101 59.000 52.997 1.0000 0.0000 1.69492E-02 0.6992 0 1
11095 B 87.65799 57.000 52.991 1.0000 0.0000 1.75439E-02 0.7002 0 1
11096 B 87.66500 65.000 52.986 1.0000 0.0000 1.53846E-02 0.7002 0 1
11097 B 87.67199 78.000 52.980 1.0000 0.0000 1.28205E-02 0.7002 0 1
11098 B 87.67900 79.000 52.974 1.0000 0.0000 1.26582E-02 0.7002 0 1
11099 B 87.68600 71.000 52.968 1.0000 0.0000 1.40845E-02 0.6992 0 1
11100 B 87.69299 73.000 52.962 1.0000 0.0000 1.36986E-02 0.7002 0 1
11101 B 87.70000 70.000 52.956 1.0000 0.0000 1.42857E-02 0.7002 0 1
11102 B 87.70699 72.000 52.950 1.0000 0.0000 1.38889E-02 0.7002 0 1
11103 B 87.71400 73.000 52.944 1.0000 0.0000 1.36986E-02 0.7002 0 1
11104 B 87.72101 66.000 52.938 1.0000 0.0000 1.51515E-02 0.6992 0 1
11105 B 87.72799 80.000 52.932 1.0000 0.0000 1.25000E-02 0.7002 0 1
11106 B 87.73500 87.000 52.926 1.0000 0.0000 1.14943E-02 0.7002 0 1
11107 . 87.74199 92.000 53.701 1.0000 0.0000 1.08696E-02 0.7002 55 1
11108 . 87.74900 95.000 53.739 1.0000 0.0000 1.05263E-02 0.7002 55 1
11109 . 87.75600 90.000 53.781 1.0000 0.0000 1.11111E-02 0.6992 55 1
11110 . 87.76299 73.000 53.826 1.0000 0.0000 1.36986E-02 0.7002 55 1
11111 . 87.77000 64.000 53.876 1.0000 0.0000 1.56250E-02 0.7002 55 1
11112 . 87.77699 72.000 53.932 1.0000 0.0000 1.38889E-02 0.7002 55 1
11113 . 87.78400 82.000 53.993 1.0000 0.0000 1.21951E-02 0.7002 55 1
11114 . 87.79101 73.000 54.062 1.0000 0.0000 1.36986E-02 0.6992 55 1
11115 . 87.79799 68.000 54.137 1.0000 0.0000 1.47059E-02 0.7002 55 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 197
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11116 . 87.80500 86.000 54.222 1.0000 0.0000 1.16279E-02 0.7002 55 1
11117 . 87.81199 86.000 54.316 1.0000 0.0000 1.16279E-02 0.7002 55 1
11118 . 87.81900 66.000 54.422 1.0000 0.0000 1.51515E-02 0.7002 55 1
11119 . 87.82600 69.000 54.541 1.0000 0.0000 1.44928E-02 0.6992 55 1
11120 . 87.83298 75.000 54.675 1.0000 0.0000 1.33333E-02 0.7002 55 1
11121 . 87.84000 78.000 54.828 1.0000 0.0000 1.28205E-02 0.7002 55 1
11122 . 87.84699 69.000 55.001 1.0000 0.0000 1.44928E-02 0.7002 55 1
11123 . 87.85400 66.000 55.200 1.0000 0.0000 1.51515E-02 0.7002 55 1
11124 . 87.86101 72.000 55.428 1.0000 0.0000 1.38889E-02 0.6992 55 1
11125 . 87.86799 73.000 55.692 1.0000 0.0000 1.36986E-02 0.7002 55 1
11126 . 87.87500 83.000 56.002 1.0000 0.0000 1.20482E-02 0.7002 55 1
11127 . 87.88199 81.000 56.370 1.0000 0.0000 1.23457E-02 0.7002 55 1
11128 . 87.88901 85.000 56.819 1.0000 0.0000 1.17647E-02 0.7002 55 1
11129 . 87.89600 72.000 57.386 1.0000 0.0000 1.38889E-02 0.6992 55 1
11130 . 87.90298 69.000 58.138 1.0000 0.0000 1.44928E-02 0.7002 55 1
11131 . 87.91000 89.000 59.199 1.0000 0.0000 1.12360E-02 0.7002 55 1
11132 . 87.91699 86.000 60.764 1.0000 0.0000 1.16279E-02 0.7002 55 1
11133 . 87.92400 98.000 63.159 1.0000 0.0000 1.02041E-02 0.7002 55 1
11134 . 87.93101 84.000 66.831 1.0000 0.0000 1.19048E-02 0.6992 55 1
11135 . 87.93799 76.000 72.350 1.0000 0.0000 1.31579E-02 0.7002 55 1
11136 . 87.94500 83.000 80.406 1.0000 0.0000 1.20482E-02 0.7002 55 1
11137 . 87.95200 75.000 91.521 1.0000 0.0000 1.33333E-02 0.7002 55 1
11138 . 87.95901 74.000 106.05 1.0000 0.0000 1.35135E-02 0.7002 55 1
11139 . 87.96600 85.000 123.70 1.0000 0.0000 1.17647E-02 0.6992 55 1
11140 . 87.97299 87.000 143.46 1.0000 0.0000 1.14943E-02 0.7002 55 1
11141 . 87.98000 89.000 163.57 1.0000 0.0000 1.12360E-02 0.7002 55 1
11142 . 87.98699 99.000 181.01 1.0000 0.0000 1.01010E-02 0.7002 55 1
11143 .1 87.99400 85.000 192.28 1.0000 0.0000 1.17647E-02 0.7002 55 1
11144 . 88.00101 88.000 194.29 1.0000 0.0000 1.13636E-02 0.6992 55 1
11145 . 88.00799 95.000 186.47 1.0000 0.0000 1.05263E-02 0.7002 55 1
11146 . 88.01500 92.000 171.40 1.0000 0.0000 1.08696E-02 0.7002 55 2
11147 . 88.02200 90.000 152.00 1.0000 0.0000 1.11111E-02 0.7002 55 2
11148 . 88.02901 98.000 131.78 1.0000 0.0000 1.02041E-02 0.7002 55 2
11149 . 88.03600 90.000 113.12 1.0000 0.0000 1.11111E-02 0.6992 55 2
11150 . 88.04299 91.000 97.356 1.0000 0.0000 1.09890E-02 0.7002 55 2
11151 . 88.05000 91.000 84.887 1.0000 0.0000 1.09890E-02 0.7002 55 2
11152 . 88.05699 94.000 75.699 1.0000 0.0000 1.06383E-02 0.7002 55 2
11153 . 88.06400 77.000 69.255 1.0000 0.0000 1.29870E-02 0.7002 55 2
11154 . 88.07101 85.000 64.947 1.0000 0.0000 1.17647E-02 0.6992 55 2
11155 . 88.07799 94.000 62.147 1.0000 0.0000 1.06383E-02 0.7002 55 2
11156 . 88.08500 92.000 60.331 1.0000 0.0000 1.08696E-02 0.7002 55 2
11157 . 88.09200 104.00 59.144 1.0000 0.0000 9.61538E-03 0.7002 55 2
11158 . 88.09901 92.000 58.336 1.0000 0.0000 1.08696E-02 0.7002 55 2
11159 . 88.10600 89.000 57.763 1.0000 0.0000 1.12360E-02 0.6992 55 2
11160 . 88.11299 82.000 57.341 1.0000 0.0000 1.21951E-02 0.7002 55 2
11161 . 88.12000 91.000 57.021 1.0000 0.0000 1.09890E-02 0.7002 55 2
11162 . 88.12699 102.00 56.780 1.0000 0.0000 9.80392E-03 0.7002 55 2
11163 . 88.13400 98.000 56.603 1.0000 0.0000 1.02041E-02 0.7002 55 2
11164 . 88.14101 96.000 56.484 1.0000 0.0000 1.04167E-02 0.6992 55 2
11165 . 88.14799 93.000 56.420 1.0000 0.0000 1.07527E-02 0.7002 55 2
11166 . 88.15500 84.000 56.411 1.0000 0.0000 1.19048E-02 0.7002 55 2
11167 . 88.16199 95.000 56.465 1.0000 0.0000 1.05263E-02 0.7002 55 2
11168 . 88.16901 108.00 56.596 1.0000 0.0000 9.25926E-03 0.7002 55 2
11169 . 88.17600 99.000 56.836 1.0000 0.0000 1.01010E-02 0.6992 55 2
11170 . 88.18299 88.000 57.238 1.0000 0.0000 1.13636E-02 0.7002 55 2
11171 . 88.19000 100.00 57.904 1.0000 0.0000 1.00000E-02 0.7002 55 2
11172 . 88.19699 128.00 58.983 1.0000 0.0000 7.81250E-03 0.7002 55 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 198
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11173 . 88.20400 103.00 60.704 1.0000 0.0000 9.70874E-03 0.7002 55 2
11174 . 88.21101 87.000 63.347 1.0000 0.0000 1.14943E-02 0.6992 55 2
11175 . 88.21799 100.00 67.224 1.0000 0.0000 1.00000E-02 0.7002 55 2
11176 . 88.22500 101.00 72.648 1.0000 0.0000 9.90099E-03 0.7002 55 2
11177 . 88.23199 102.00 79.734 1.0000 0.0000 9.80392E-03 0.7002 55 2
11178 . 88.23901 98.000 88.415 1.0000 0.0000 1.02041E-02 0.7002 55 2
11179 . 88.24600 105.00 98.186 1.0000 0.0000 9.52381E-03 0.6992 55 2
11180 . 88.25299 110.00 107.31 1.0000 0.0000 9.09091E-03 0.7002 56 1
11181 . 88.26000 101.00 116.08 1.0000 0.0000 9.90099E-03 0.7002 56 1
11182 .1 88.26699 98.000 121.81 1.0000 0.0000 1.02041E-02 0.7002 56 1
11183 . 88.27400 98.000 123.00 1.0000 0.0000 1.02041E-02 0.7002 56 1
11184 . 88.28101 107.00 119.28 1.0000 0.0000 9.34579E-03 0.6992 56 1
11185 . 88.28799 112.00 111.75 1.0000 0.0000 8.92857E-03 0.7002 56 1
11186 . 88.29500 96.000 102.11 1.0000 0.0000 1.04167E-02 0.7002 56 1
11187 . 88.30199 81.000 92.067 1.0000 0.0000 1.23457E-02 0.7002 56 1
11188 . 88.30901 121.00 82.712 1.0000 0.0000 8.26446E-03 0.7002 56 1
11189 . 88.31601 114.00 74.767 1.0000 0.0000 8.77193E-03 0.6992 56 1
11190 . 88.32299 112.00 68.499 1.0000 0.0000 8.92857E-03 0.7002 56 1
11191 . 88.33000 115.00 63.826 1.0000 0.0000 8.69565E-03 0.7002 56 1
11192 . 88.33699 89.000 60.548 1.0000 0.0000 1.12360E-02 0.7002 56 1
11193 . 88.34400 107.00 58.332 1.0000 0.0000 9.34579E-03 0.7002 56 1
11194 . 88.35101 112.00 56.879 1.0000 0.0000 8.92857E-03 0.6992 56 1
11195 . 88.35799 104.00 55.931 1.0000 0.0000 9.61538E-03 0.7002 56 1
11196 . 88.36500 108.00 55.295 1.0000 0.0000 9.25926E-03 0.7002 56 1
11197 . 88.37199 101.00 54.851 1.0000 0.0000 9.90099E-03 0.7002 56 1
11198 . 88.37901 111.00 54.523 1.0000 0.0000 9.00901E-03 0.7002 56 1
11199 . 88.38601 124.00 54.267 1.0000 0.0000 8.06452E-03 0.6992 56 1
11200 . 88.39299 115.00 54.059 1.0000 0.0000 8.69565E-03 0.7002 56 1
11201 . 88.40000 107.00 53.883 1.0000 0.0000 9.34579E-03 0.7002 56 1
11202 . 88.40699 100.00 53.733 1.0000 0.0000 1.00000E-02 0.7002 56 1
11203 . 88.41400 96.000 53.603 1.0000 0.0000 1.04167E-02 0.7002 56 1
11204 . 88.42101 94.000 53.489 1.0000 0.0000 1.06383E-02 0.6992 56 1
11205 . 88.42799 118.00 53.389 1.0000 0.0000 8.47458E-03 0.7002 56 1
11206 . 88.43500 122.00 53.300 1.0000 0.0000 8.19672E-03 0.7002 56 1
11207 . 88.44199 122.00 53.220 1.0000 0.0000 8.19672E-03 0.7002 56 1
11208 . 88.44901 113.00 53.149 1.0000 0.0000 8.84956E-03 0.7002 56 1
11209 . 88.45601 128.00 53.085 1.0000 0.0000 7.81250E-03 0.6992 56 1
11210 . 88.46299 95.000 53.027 1.0000 0.0000 1.05263E-02 0.7002 56 1
11211 . 88.47000 108.00 52.974 1.0000 0.0000 9.25926E-03 0.7002 56 1
11212 . 88.47699 122.00 52.925 1.0000 0.0000 8.19672E-03 0.7002 56 1
11213 . 88.48400 130.00 52.881 1.0000 0.0000 7.69231E-03 0.7002 56 1
11214 . 88.49100 127.00 52.841 1.0000 0.0000 7.87402E-03 0.6992 56 1
11215 . 88.49799 115.00 52.803 1.0000 0.0000 8.69565E-03 0.7002 56 1
11216 . 88.50500 111.00 52.768 1.0000 0.0000 9.00901E-03 0.7002 56 1
11217 . 88.51199 122.00 52.736 1.0000 0.0000 8.19672E-03 0.7002 56 1
11218 . 88.51900 113.00 52.706 1.0000 0.0000 8.84956E-03 0.7002 56 1
11219 B 88.52601 103.00 52.278 1.0000 0.0000 9.70874E-03 0.6992 0 1
11220 B 88.53299 112.00 52.272 1.0000 0.0000 8.92857E-03 0.7002 0 1
11221 B 88.54000 109.00 52.267 1.0000 0.0000 9.17431E-03 0.7002 0 1
11222 B 88.54699 132.00 52.261 1.0000 0.0000 7.57576E-03 0.7002 0 1
11223 B 88.55400 132.00 52.255 1.0000 0.0000 7.57576E-03 0.7002 0 1
11224 B 88.56100 118.00 52.250 1.0000 0.0000 8.47458E-03 0.6992 0 1
11225 B 88.56799 127.00 52.244 1.0000 0.0000 7.87402E-03 0.7002 0 1
11226 B 88.57500 124.00 52.239 1.0000 0.0000 8.06452E-03 0.7002 0 1
11227 B 88.58199 132.00 52.233 1.0000 0.0000 7.57576E-03 0.7002 0 1
11228 B 88.58900 125.00 52.228 1.0000 0.0000 8.00000E-03 0.7002 0 1
11229 B 88.59601 113.00 52.222 1.0000 0.0000 8.84956E-03 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 199
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11230 B 88.60299 119.00 52.217 1.0000 0.0000 8.40336E-03 0.7002 0 1
11231 B 88.61000 118.00 52.211 1.0000 0.0000 8.47458E-03 0.7002 0 1
11232 B 88.61699 115.00 52.206 1.0000 0.0000 8.69565E-03 0.7002 0 1
11233 B 88.62400 123.00 52.200 1.0000 0.0000 8.13008E-03 0.7002 0 1
11234 B 88.63100 121.00 52.195 1.0000 0.0000 8.26446E-03 0.6992 0 1
11235 B 88.63799 132.00 52.189 1.0000 0.0000 7.57576E-03 0.7002 0 1
11236 B 88.64500 101.00 52.184 1.0000 0.0000 9.90099E-03 0.7002 0 1
11237 B 88.65199 127.00 52.178 1.0000 0.0000 7.87402E-03 0.7002 0 1
11238 B 88.65900 139.00 52.173 1.0000 0.0000 7.19424E-03 0.7002 0 1
11239 B 88.66601 131.00 52.167 1.0000 0.0000 7.63359E-03 0.6992 0 1
11240 B 88.67299 130.00 52.162 1.0000 0.0000 7.69231E-03 0.7002 0 1
11241 B 88.68000 108.00 52.156 1.0000 0.0000 9.25926E-03 0.7002 0 1
11242 B 88.68699 129.00 52.151 1.0000 0.0000 7.75194E-03 0.7002 0 1
11243 B 88.69400 138.00 52.145 1.0000 0.0000 7.24638E-03 0.7002 0 1
11244 B 88.70100 122.00 52.140 1.0000 0.0000 8.19672E-03 0.6992 0 1
11245 B 88.70798 118.00 52.134 1.0000 0.0000 8.47458E-03 0.7002 0 1
11246 B 88.71500 116.00 52.129 1.0000 0.0000 8.62069E-03 0.7002 0 1
11247 B 88.72199 120.00 52.123 1.0000 0.0000 8.33333E-03 0.7002 0 1
11248 B 88.72900 125.00 52.118 1.0000 0.0000 8.00000E-03 0.7002 0 1
11249 B 88.73601 115.00 52.112 1.0000 0.0000 8.69565E-03 0.6992 0 1
11250 B 88.74299 103.00 52.107 1.0000 0.0000 9.70874E-03 0.7002 0 1
11251 B 88.75000 108.00 52.101 1.0000 0.0000 9.25926E-03 0.7002 0 1
11252 B 88.75699 118.00 52.096 1.0000 0.0000 8.47458E-03 0.7002 0 1
11253 B 88.76401 128.00 52.090 1.0000 0.0000 7.81250E-03 0.7002 0 1
11254 B 88.77100 118.00 52.085 1.0000 0.0000 8.47458E-03 0.6992 0 1
11255 B 88.77798 121.00 52.079 1.0000 0.0000 8.26446E-03 0.7002 0 1
11256 B 88.78500 130.00 52.074 1.0000 0.0000 7.69231E-03 0.7002 0 1
11257 B 88.79199 126.00 52.068 1.0000 0.0000 7.93651E-03 0.7002 0 1
11258 B 88.79900 124.00 52.063 1.0000 0.0000 8.06452E-03 0.7002 0 1
11259 B 88.80601 132.00 52.058 1.0000 0.0000 7.57576E-03 0.6992 0 1
11260 B 88.81299 131.00 52.052 1.0000 0.0000 7.63359E-03 0.7002 0 1
11261 B 88.82000 127.00 52.047 1.0000 0.0000 7.87402E-03 0.7002 0 1
11262 B 88.82700 123.00 52.041 1.0000 0.0000 8.13008E-03 0.7002 0 1
11263 B 88.83401 129.00 52.036 1.0000 0.0000 7.75194E-03 0.7002 0 1
11264 B 88.84100 147.00 52.030 1.0000 0.0000 6.80272E-03 0.6992 0 1
11265 B 88.84799 137.00 52.025 1.0000 0.0000 7.29927E-03 0.7002 0 1
11266 B 88.85500 113.00 52.020 1.0000 0.0000 8.84956E-03 0.7002 0 1
11267 B 88.86199 127.00 52.014 1.0000 0.0000 7.87402E-03 0.7002 0 1
11268 B 88.86900 127.00 52.009 1.0000 0.0000 7.87402E-03 0.7002 0 1
11269 B 88.87601 117.00 52.003 1.0000 0.0000 8.54701E-03 0.6992 0 1
11270 B 88.88299 108.00 51.998 1.0000 0.0000 9.25926E-03 0.7002 0 1
11271 B 88.89000 129.00 51.992 1.0000 0.0000 7.75194E-03 0.7002 0 1
11272 B 88.89700 119.00 51.987 1.0000 0.0000 8.40336E-03 0.7002 0 1
11273 B 88.90401 120.00 51.982 1.0000 0.0000 8.33333E-03 0.7002 0 1
11274 B 88.91100 122.00 51.976 1.0000 0.0000 8.19672E-03 0.6992 0 1
11275 B 88.91799 114.00 51.971 1.0000 0.0000 8.77193E-03 0.7002 0 1
11276 B 88.92500 117.00 51.965 1.0000 0.0000 8.54701E-03 0.7002 0 1
11277 B 88.93199 126.00 51.960 1.0000 0.0000 7.93651E-03 0.7002 0 1
11278 B 88.93900 125.00 51.955 1.0000 0.0000 8.00000E-03 0.7002 0 1
11279 B 88.94601 112.00 51.949 1.0000 0.0000 8.92857E-03 0.6992 0 1
11280 B 88.95299 124.00 51.944 1.0000 0.0000 8.06452E-03 0.7002 0 1
11281 B 88.96000 137.00 51.939 1.0000 0.0000 7.29927E-03 0.7002 0 1
11282 B 88.96700 116.00 51.933 1.0000 0.0000 8.62069E-03 0.7002 0 1
11283 B 88.97401 129.00 51.928 1.0000 0.0000 7.75194E-03 0.7002 0 1
11284 B 88.98100 116.00 51.922 1.0000 0.0000 8.62069E-03 0.6992 0 1
11285 B 88.98799 125.00 51.917 1.0000 0.0000 8.00000E-03 0.7002 0 1
11286 B 88.99500 120.00 51.912 1.0000 0.0000 8.33333E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 200
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11287 B 89.00199 121.00 51.906 1.0000 0.0000 8.26446E-03 0.7002 0 1
11288 B 89.00900 121.00 51.901 1.0000 0.0000 8.26446E-03 0.7002 0 1
11289 B 89.01601 131.00 51.896 1.0000 0.0000 7.63359E-03 0.6992 0 1
11290 B 89.02299 128.00 51.890 1.0000 0.0000 7.81250E-03 0.7002 0 1
11291 B 89.03000 135.00 51.885 1.0000 0.0000 7.40741E-03 0.7002 0 1
11292 B 89.03699 131.00 51.880 1.0000 0.0000 7.63359E-03 0.7002 0 1
11293 B 89.04401 118.00 51.874 1.0000 0.0000 8.47458E-03 0.7002 0 1
11294 B 89.05100 133.00 51.869 1.0000 0.0000 7.51880E-03 0.6992 0 1
11295 B 89.05799 134.00 51.864 1.0000 0.0000 7.46269E-03 0.7002 0 1
11296 B 89.06500 129.00 51.858 1.0000 0.0000 7.75194E-03 0.7002 0 1
11297 B 89.07199 119.00 51.853 1.0000 0.0000 8.40336E-03 0.7002 0 1
11298 B 89.07900 130.00 51.848 1.0000 0.0000 7.69231E-03 0.7002 0 1
11299 B 89.08601 128.00 51.842 1.0000 0.0000 7.81250E-03 0.6992 0 1
11300 B 89.09299 145.00 51.837 1.0000 0.0000 6.89655E-03 0.7002 0 1
11301 B 89.10000 109.00 51.832 1.0000 0.0000 9.17431E-03 0.7002 0 1
11302 B 89.10699 117.00 51.826 1.0000 0.0000 8.54701E-03 0.7002 0 1
11303 B 89.11401 129.00 51.821 1.0000 0.0000 7.75194E-03 0.7002 0 1
11304 B 89.12100 119.00 51.816 1.0000 0.0000 8.40336E-03 0.6992 0 1
11305 B 89.12799 123.00 51.810 1.0000 0.0000 8.13008E-03 0.7002 0 1
11306 B 89.13500 128.00 51.805 1.0000 0.0000 7.81250E-03 0.7002 0 1
11307 B 89.14199 117.00 51.800 1.0000 0.0000 8.54701E-03 0.7002 0 1
11308 B 89.14900 119.00 51.795 1.0000 0.0000 8.40336E-03 0.7002 0 1
11309 B 89.15601 122.00 51.789 1.0000 0.0000 8.19672E-03 0.6992 0 1
11310 B 89.16299 122.00 51.784 1.0000 0.0000 8.19672E-03 0.7002 0 1
11311 B 89.17000 105.00 51.779 1.0000 0.0000 9.52381E-03 0.7002 0 1
11312 B 89.17699 136.00 51.773 1.0000 0.0000 7.35294E-03 0.7002 0 1
11313 B 89.18401 127.00 51.768 1.0000 0.0000 7.87402E-03 0.7002 0 1
11314 B 89.19101 112.00 51.763 1.0000 0.0000 8.92857E-03 0.6992 0 1
11315 B 89.19799 106.00 51.758 1.0000 0.0000 9.43396E-03 0.7002 0 1
11316 B 89.20500 119.00 51.752 1.0000 0.0000 8.40336E-03 0.7002 0 1
11317 B 89.21199 136.00 51.747 1.0000 0.0000 7.35294E-03 0.7002 0 1
11318 B 89.21900 109.00 51.742 1.0000 0.0000 9.17431E-03 0.7002 0 1
11319 B 89.22601 121.00 51.737 1.0000 0.0000 8.26446E-03 0.6992 0 1
11320 B 89.23299 120.00 51.731 1.0000 0.0000 8.33333E-03 0.7002 0 1
11321 B 89.24000 122.00 51.726 1.0000 0.0000 8.19672E-03 0.7002 0 1
11322 B 89.24699 122.00 51.721 1.0000 0.0000 8.19672E-03 0.7002 0 1
11323 B 89.25401 107.00 51.716 1.0000 0.0000 9.34579E-03 0.7002 0 1
11324 B 89.26101 114.00 51.710 1.0000 0.0000 8.77193E-03 0.6992 0 1
11325 B 89.26799 118.00 51.705 1.0000 0.0000 8.47458E-03 0.7002 0 1
11326 B 89.27500 103.00 51.700 1.0000 0.0000 9.70874E-03 0.7002 0 1
11327 B 89.28199 112.00 51.695 1.0000 0.0000 8.92857E-03 0.7002 0 1
11328 B 89.28900 105.00 51.689 1.0000 0.0000 9.52381E-03 0.7002 0 1
11329 B 89.29601 116.00 51.684 1.0000 0.0000 8.62069E-03 0.6992 0 1
11330 B 89.30299 124.00 51.679 1.0000 0.0000 8.06452E-03 0.7002 0 1
11331 B 89.31000 107.00 51.674 1.0000 0.0000 9.34579E-03 0.7002 0 1
11332 B 89.31699 108.00 51.668 1.0000 0.0000 9.25926E-03 0.7002 0 1
11333 B 89.32401 121.00 51.663 1.0000 0.0000 8.26446E-03 0.7002 0 1
11334 B 89.33101 119.00 51.658 1.0000 0.0000 8.40336E-03 0.6992 0 1
11335 B 89.33799 111.00 51.653 1.0000 0.0000 9.00901E-03 0.7002 0 1
11336 B 89.34500 113.00 51.648 1.0000 0.0000 8.84956E-03 0.7002 0 1
11337 B 89.35199 110.00 51.642 1.0000 0.0000 9.09091E-03 0.7002 0 1
11338 B 89.35900 116.00 51.637 1.0000 0.0000 8.62069E-03 0.7002 0 1
11339 B 89.36600 122.00 51.632 1.0000 0.0000 8.19672E-03 0.6992 0 1
11340 B 89.37299 106.00 51.627 1.0000 0.0000 9.43396E-03 0.7002 0 1
11341 B 89.38000 103.00 51.622 1.0000 0.0000 9.70874E-03 0.7002 0 1
11342 B 89.38699 104.00 51.616 1.0000 0.0000 9.61538E-03 0.7002 0 1
11343 B 89.39400 99.000 51.611 1.0000 0.0000 1.01010E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 201
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11344 B 89.40101 109.00 51.606 1.0000 0.0000 9.17431E-03 0.6992 0 1
11345 B 89.40799 113.00 51.601 1.0000 0.0000 8.84956E-03 0.7002 0 1
11346 B 89.41500 112.00 51.596 1.0000 0.0000 8.92857E-03 0.7002 0 1
11347 B 89.42199 108.00 51.591 1.0000 0.0000 9.25926E-03 0.7002 0 1
11348 B 89.42900 93.000 51.585 1.0000 0.0000 1.07527E-02 0.7002 0 1
11349 B 89.43600 94.000 51.580 1.0000 0.0000 1.06383E-02 0.6992 0 1
11350 B 89.44299 102.00 51.575 1.0000 0.0000 9.80392E-03 0.7002 0 1
11351 B 89.45000 106.00 51.570 1.0000 0.0000 9.43396E-03 0.7002 0 1
11352 B 89.45699 108.00 51.565 1.0000 0.0000 9.25926E-03 0.7002 0 1
11353 B 89.46400 114.00 51.560 1.0000 0.0000 8.77193E-03 0.7002 0 1
11354 B 89.47101 96.000 51.554 1.0000 0.0000 1.04167E-02 0.6992 0 1
11355 B 89.47799 88.000 51.549 1.0000 0.0000 1.13636E-02 0.7002 0 1
11356 B 89.48500 108.00 51.544 1.0000 0.0000 9.25926E-03 0.7002 0 1
11357 B 89.49199 102.00 51.539 1.0000 0.0000 9.80392E-03 0.7002 0 1
11358 B 89.49900 98.000 51.534 1.0000 0.0000 1.02041E-02 0.7002 0 1
11359 B 89.50600 101.00 51.529 1.0000 0.0000 9.90099E-03 0.6992 0 1
11360 B 89.51299 96.000 51.524 1.0000 0.0000 1.04167E-02 0.7002 0 1
11361 B 89.52000 101.00 51.518 1.0000 0.0000 9.90099E-03 0.7002 0 1
11362 B 89.52699 86.000 51.513 1.0000 0.0000 1.16279E-02 0.7002 0 1
11363 B 89.53400 85.000 51.508 1.0000 0.0000 1.17647E-02 0.7002 0 1
11364 B 89.54101 99.000 51.503 1.0000 0.0000 1.01010E-02 0.6992 0 1
11365 B 89.54799 105.00 51.498 1.0000 0.0000 9.52381E-03 0.7002 0 1
11366 B 89.55500 92.000 51.493 1.0000 0.0000 1.08696E-02 0.7002 0 1
11367 B 89.56199 94.000 51.488 1.0000 0.0000 1.06383E-02 0.7002 0 1
11368 B 89.56900 92.000 51.483 1.0000 0.0000 1.08696E-02 0.7002 0 1
11369 B 89.57600 93.000 51.477 1.0000 0.0000 1.07527E-02 0.6992 0 1
11370 B 89.58298 88.000 51.472 1.0000 0.0000 1.13636E-02 0.7002 0 1
11371 B 89.59000 93.000 51.467 1.0000 0.0000 1.07527E-02 0.7002 0 1
11372 B 89.59699 84.000 51.462 1.0000 0.0000 1.19048E-02 0.7002 0 1
11373 B 89.60400 91.000 51.457 1.0000 0.0000 1.09890E-02 0.7002 0 1
11374 B 89.61101 97.000 51.452 1.0000 0.0000 1.03093E-02 0.6992 0 1
11375 B 89.61799 82.000 51.447 1.0000 0.0000 1.21951E-02 0.7002 0 1
11376 B 89.62500 96.000 51.442 1.0000 0.0000 1.04167E-02 0.7002 0 1
11377 B 89.63199 97.000 51.437 1.0000 0.0000 1.03093E-02 0.7002 0 1
11378 B 89.63901 96.000 51.432 1.0000 0.0000 1.04167E-02 0.7002 0 1
11379 B 89.64600 98.000 51.427 1.0000 0.0000 1.02041E-02 0.6992 0 1
11380 B 89.65298 97.000 51.422 1.0000 0.0000 1.03093E-02 0.7002 0 1
11381 B 89.66000 92.000 51.416 1.0000 0.0000 1.08696E-02 0.7002 0 1
11382 B 89.66699 86.000 51.411 1.0000 0.0000 1.16279E-02 0.7002 0 1
11383 B 89.67400 87.000 51.406 1.0000 0.0000 1.14943E-02 0.7002 0 1
11384 B 89.68101 96.000 51.401 1.0000 0.0000 1.04167E-02 0.6992 0 1
11385 B 89.68799 100.00 51.396 1.0000 0.0000 1.00000E-02 0.7002 0 1
11386 B 89.69500 98.000 51.391 1.0000 0.0000 1.02041E-02 0.7002 0 1
11387 B 89.70200 95.000 51.386 1.0000 0.0000 1.05263E-02 0.7002 0 1
11388 B 89.70901 83.000 51.381 1.0000 0.0000 1.20482E-02 0.7002 0 1
11389 B 89.71600 89.000 51.376 1.0000 0.0000 1.12360E-02 0.6992 0 1
11390 B 89.72299 85.000 51.371 1.0000 0.0000 1.17647E-02 0.7002 0 1
11391 B 89.73000 100.00 51.366 1.0000 0.0000 1.00000E-02 0.7002 0 1
11392 B 89.73699 89.000 51.361 1.0000 0.0000 1.12360E-02 0.7002 0 1
11393 B 89.74400 86.000 51.356 1.0000 0.0000 1.16279E-02 0.7002 0 1
11394 B 89.75101 75.000 51.351 1.0000 0.0000 1.33333E-02 0.6992 0 1
11395 B 89.75799 84.000 51.346 1.0000 0.0000 1.19048E-02 0.7002 0 1
11396 B 89.76500 81.000 51.341 1.0000 0.0000 1.23457E-02 0.7002 0 1
11397 B 89.77200 81.000 51.336 1.0000 0.0000 1.23457E-02 0.7002 0 1
11398 B 89.77901 86.000 51.331 1.0000 0.0000 1.16279E-02 0.7002 0 1
11399 B 89.78600 96.000 51.326 1.0000 0.0000 1.04167E-02 0.6992 0 1
11400 B 89.79299 84.000 51.321 1.0000 0.0000 1.19048E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 202
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11401 B 89.80000 72.000 51.316 1.0000 0.0000 1.38889E-02 0.7002 0 1
11402 B 89.80699 89.000 51.311 1.0000 0.0000 1.12360E-02 0.7002 0 1
11403 B 89.81400 97.000 51.306 1.0000 0.0000 1.03093E-02 0.7002 0 1
11404 B 89.82101 79.000 51.301 1.0000 0.0000 1.26582E-02 0.6992 0 1
11405 B 89.82799 89.000 51.296 1.0000 0.0000 1.12360E-02 0.7002 0 1
11406 B 89.83500 66.000 51.291 1.0000 0.0000 1.51515E-02 0.7002 0 1
11407 B 89.84200 88.000 51.286 1.0000 0.0000 1.13636E-02 0.7002 0 1
11408 B 89.84901 70.000 51.281 1.0000 0.0000 1.42857E-02 0.7002 0 1
11409 B 89.85600 81.000 51.276 1.0000 0.0000 1.23457E-02 0.6992 0 1
11410 B 89.86299 82.000 51.271 1.0000 0.0000 1.21951E-02 0.7002 0 1
11411 B 89.87000 79.000 51.266 1.0000 0.0000 1.26582E-02 0.7002 0 1
11412 B 89.87699 81.000 51.261 1.0000 0.0000 1.23457E-02 0.7002 0 1
11413 B 89.88400 78.000 51.256 1.0000 0.0000 1.28205E-02 0.7002 0 1
11414 B 89.89101 69.000 51.251 1.0000 0.0000 1.44928E-02 0.6992 0 1
11415 B 89.89799 85.000 51.246 1.0000 0.0000 1.17647E-02 0.7002 0 1
11416 B 89.90500 68.000 51.241 1.0000 0.0000 1.47059E-02 0.7002 0 1
11417 B 89.91199 75.000 51.236 1.0000 0.0000 1.33333E-02 0.7002 0 1
11418 B 89.91901 84.000 51.231 1.0000 0.0000 1.19048E-02 0.7002 0 1
11419 B 89.92600 87.000 51.226 1.0000 0.0000 1.14943E-02 0.6992 0 1
11420 B 89.93299 58.000 51.221 1.0000 0.0000 1.72414E-02 0.7002 0 1
11421 B 89.94000 68.000 51.216 1.0000 0.0000 1.47059E-02 0.7002 0 1
11422 B 89.94699 68.000 51.211 1.0000 0.0000 1.47059E-02 0.7002 0 1
11423 B 89.95400 85.000 51.206 1.0000 0.0000 1.17647E-02 0.7002 0 1
11424 B 89.96101 79.000 51.201 1.0000 0.0000 1.26582E-02 0.6992 0 1
11425 B 89.96799 80.000 51.197 1.0000 0.0000 1.25000E-02 0.7002 0 1
11426 B 89.97500 72.000 51.192 1.0000 0.0000 1.38889E-02 0.7002 0 1
11427 B 89.98199 76.000 51.187 1.0000 0.0000 1.31579E-02 0.7002 0 1
11428 B 89.98901 71.000 51.182 1.0000 0.0000 1.40845E-02 0.7002 0 1
11429 B 89.99600 68.000 51.177 1.0000 0.0000 1.47059E-02 0.6992 0 1
11430 B 90.00299 71.000 51.172 1.0000 0.0000 1.40845E-02 0.7002 0 1
11431 B 90.01000 78.000 51.167 1.0000 0.0000 1.28205E-02 0.7002 0 1
11432 B 90.01699 66.000 51.162 1.0000 0.0000 1.51515E-02 0.7002 0 1
11433 B 90.02400 73.000 51.157 1.0000 0.0000 1.36986E-02 0.7002 0 1
11434 B 90.03101 71.000 51.152 1.0000 0.0000 1.40845E-02 0.6992 0 1
11435 B 90.03799 72.000 51.147 1.0000 0.0000 1.38889E-02 0.7002 0 1
11436 B 90.04500 75.000 51.142 1.0000 0.0000 1.33333E-02 0.7002 0 1
11437 B 90.05199 72.000 51.138 1.0000 0.0000 1.38889E-02 0.7002 0 1
11438 B 90.05901 75.000 51.133 1.0000 0.0000 1.33333E-02 0.7002 0 1
11439 B 90.06601 80.000 51.128 1.0000 0.0000 1.25000E-02 0.6992 0 1
11440 B 90.07299 70.000 51.123 1.0000 0.0000 1.42857E-02 0.7002 0 1
11441 B 90.08000 68.000 51.118 1.0000 0.0000 1.47059E-02 0.7002 0 1
11442 B 90.08699 72.000 51.113 1.0000 0.0000 1.38889E-02 0.7002 0 1
11443 B 90.09400 73.000 51.108 1.0000 0.0000 1.36986E-02 0.7002 0 1
11444 B 90.10101 68.000 51.103 1.0000 0.0000 1.47059E-02 0.6992 0 1
11445 B 90.10799 73.000 51.098 1.0000 0.0000 1.36986E-02 0.7002 0 1
11446 B 90.11500 67.000 51.094 1.0000 0.0000 1.49254E-02 0.7002 0 1
11447 B 90.12199 67.000 51.089 1.0000 0.0000 1.49254E-02 0.7002 0 1
11448 B 90.12901 70.000 51.084 1.0000 0.0000 1.42857E-02 0.7002 0 1
11449 B 90.13601 69.000 51.079 1.0000 0.0000 1.44928E-02 0.6992 0 1
11450 B 90.14299 91.000 51.074 1.0000 0.0000 1.09890E-02 0.7002 0 1
11451 B 90.15000 73.000 51.069 1.0000 0.0000 1.36986E-02 0.7002 0 1
11452 B 90.15699 77.000 51.064 1.0000 0.0000 1.29870E-02 0.7002 0 1
11453 B 90.16400 69.000 51.060 1.0000 0.0000 1.44928E-02 0.7002 0 1
11454 B 90.17101 76.000 51.055 1.0000 0.0000 1.31579E-02 0.6992 0 1
11455 B 90.17799 65.000 51.050 1.0000 0.0000 1.53846E-02 0.7002 0 1
11456 B 90.18500 69.000 51.045 1.0000 0.0000 1.44928E-02 0.7002 0 1
11457 B 90.19199 62.000 51.040 1.0000 0.0000 1.61290E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 203
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11458 B 90.19901 54.000 51.035 1.0000 0.0000 1.85185E-02 0.7002 0 1
11459 B 90.20601 65.000 51.031 1.0000 0.0000 1.53846E-02 0.6992 0 1
11460 B 90.21299 72.000 51.026 1.0000 0.0000 1.38889E-02 0.7002 0 1
11461 B 90.22000 75.000 51.021 1.0000 0.0000 1.33333E-02 0.7002 0 1
11462 B 90.22699 69.000 51.016 1.0000 0.0000 1.44928E-02 0.7002 0 1
11463 B 90.23400 70.000 51.011 1.0000 0.0000 1.42857E-02 0.7002 0 1
11464 B 90.24100 69.000 51.006 1.0000 0.0000 1.44928E-02 0.6992 0 1
11465 B 90.24799 60.000 51.002 1.0000 0.0000 1.66667E-02 0.7002 0 1
11466 B 90.25500 59.000 50.997 1.0000 0.0000 1.69492E-02 0.7002 0 1
11467 B 90.26199 69.000 50.992 1.0000 0.0000 1.44928E-02 0.7002 0 1
11468 B 90.26900 72.000 50.987 1.0000 0.0000 1.38889E-02 0.7002 0 1
11469 B 90.27601 61.000 50.982 1.0000 0.0000 1.63934E-02 0.6992 0 1
11470 B 90.28299 56.000 50.978 1.0000 0.0000 1.78571E-02 0.7002 0 1
11471 B 90.29000 64.000 50.973 1.0000 0.0000 1.56250E-02 0.7002 0 1
11472 B 90.29699 60.000 50.968 1.0000 0.0000 1.66667E-02 0.7002 0 1
11473 B 90.30400 62.000 50.963 1.0000 0.0000 1.61290E-02 0.7002 0 1
11474 B 90.31100 59.000 50.959 1.0000 0.0000 1.69492E-02 0.6992 0 1
11475 B 90.31799 48.000 50.954 1.0000 0.0000 2.08333E-02 0.7002 0 1
11476 B 90.32500 59.000 50.949 1.0000 0.0000 1.69492E-02 0.7002 0 1
11477 B 90.33199 67.000 50.944 1.0000 0.0000 1.49254E-02 0.7002 0 1
11478 B 90.33900 63.000 50.939 1.0000 0.0000 1.58730E-02 0.7002 0 1
11479 B 90.34601 56.000 50.935 1.0000 0.0000 1.78571E-02 0.6992 0 1
11480 B 90.35299 65.000 50.930 1.0000 0.0000 1.53846E-02 0.7002 0 1
11481 B 90.36000 59.000 50.925 1.0000 0.0000 1.69492E-02 0.7002 0 1
11482 B 90.36699 57.000 50.920 1.0000 0.0000 1.75439E-02 0.7002 0 1
11483 B 90.37400 78.000 50.916 1.0000 0.0000 1.28205E-02 0.7002 0 1
11484 B 90.38100 69.000 50.911 1.0000 0.0000 1.44928E-02 0.6992 0 1
11485 B 90.38799 69.000 50.906 1.0000 0.0000 1.44928E-02 0.7002 0 1
11486 B 90.39500 71.000 50.901 1.0000 0.0000 1.40845E-02 0.7002 0 1
11487 B 90.40199 69.000 50.897 1.0000 0.0000 1.44928E-02 0.7002 0 1
11488 B 90.40900 64.000 50.892 1.0000 0.0000 1.56250E-02 0.7002 0 1
11489 B 90.41601 66.000 50.887 1.0000 0.0000 1.51515E-02 0.6992 0 1
11490 B 90.42299 59.000 50.882 1.0000 0.0000 1.69492E-02 0.7002 0 1
11491 B 90.43000 68.000 50.878 1.0000 0.0000 1.47059E-02 0.7002 0 1
11492 B 90.43699 69.000 50.873 1.0000 0.0000 1.44928E-02 0.7002 0 1
11493 . 90.44400 61.000 50.927 1.0000 0.0000 1.63934E-02 0.7002 57 1
11494 . 90.45100 61.000 50.925 1.0000 0.0000 1.63934E-02 0.6992 57 1
11495 . 90.45798 63.000 50.924 1.0000 0.0000 1.58730E-02 0.7002 57 1
11496 . 90.46500 57.000 50.923 1.0000 0.0000 1.75439E-02 0.7002 57 1
11497 . 90.47199 58.000 50.923 1.0000 0.0000 1.72414E-02 0.7002 57 1
11498 . 90.47900 55.000 50.923 1.0000 0.0000 1.81818E-02 0.7002 57 1
11499 . 90.48601 62.000 50.923 1.0000 0.0000 1.61290E-02 0.6992 57 1
11500 . 90.49299 65.000 50.924 1.0000 0.0000 1.53846E-02 0.7002 57 1
11501 . 90.50000 57.000 50.926 1.0000 0.0000 1.75439E-02 0.7002 57 1
11502 . 90.50699 57.000 50.928 1.0000 0.0000 1.75439E-02 0.7002 57 1
11503 . 90.51401 61.000 50.931 1.0000 0.0000 1.63934E-02 0.7002 57 1
11504 . 90.52100 59.000 50.935 1.0000 0.0000 1.69492E-02 0.6992 57 1
11505 . 90.52798 57.000 50.939 1.0000 0.0000 1.75439E-02 0.7002 57 1
11506 . 90.53500 59.000 50.946 1.0000 0.0000 1.69492E-02 0.7002 57 1
11507 . 90.54199 51.000 50.953 1.0000 0.0000 1.96078E-02 0.7002 57 1
11508 . 90.54900 53.000 50.962 1.0000 0.0000 1.88679E-02 0.7002 57 1
11509 . 90.55601 59.000 50.973 1.0000 0.0000 1.69492E-02 0.6992 57 1
11510 . 90.56299 62.000 50.987 1.0000 0.0000 1.61290E-02 0.7002 57 1
11511 . 90.57000 54.000 51.003 1.0000 0.0000 1.85185E-02 0.7002 57 1
11512 . 90.57700 65.000 51.023 1.0000 0.0000 1.53846E-02 0.7002 57 1
11513 . 90.58401 60.000 51.048 1.0000 0.0000 1.66667E-02 0.7002 57 1
11514 . 90.59100 55.000 51.081 1.0000 0.0000 1.81818E-02 0.6992 57 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 204
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11515 . 90.59799 50.000 51.124 1.0000 0.0000 2.00000E-02 0.7002 57 1
11516 . 90.60500 54.000 51.184 1.0000 0.0000 1.85185E-02 0.7002 57 1
11517 . 90.61199 57.000 51.273 1.0000 0.0000 1.75439E-02 0.7002 57 1
11518 . 90.61900 46.000 51.409 1.0000 0.0000 2.17391E-02 0.7002 57 1
11519 . 90.62601 55.000 51.618 1.0000 0.0000 1.81818E-02 0.6992 57 1
11520 . 90.63299 57.000 51.935 1.0000 0.0000 1.75439E-02 0.7002 57 1
11521 . 90.64000 69.000 52.404 1.0000 0.0000 1.44928E-02 0.7002 57 1
11522 . 90.64700 73.000 53.063 1.0000 0.0000 1.36986E-02 0.7002 57 1
11523 . 90.65401 56.000 53.947 1.0000 0.0000 1.78571E-02 0.7002 57 1
11524 . 90.66100 61.000 55.054 1.0000 0.0000 1.63934E-02 0.6992 57 1
11525 . 90.66799 59.000 56.342 1.0000 0.0000 1.69492E-02 0.7002 57 1
11526 . 90.67500 53.000 57.726 1.0000 0.0000 1.88679E-02 0.7002 57 1
11527 . 90.68199 60.000 59.036 1.0000 0.0000 1.66667E-02 0.7002 57 1
11528 . 90.68900 51.000 60.060 1.0000 0.0000 1.96078E-02 0.7002 57 1
11529 .1 90.69601 52.000 60.553 1.0000 0.0000 1.92308E-02 0.6992 57 1
11530 . 90.70299 61.000 60.377 1.0000 0.0000 1.63934E-02 0.7002 57 1
11531 . 90.71000 55.000 59.580 1.0000 0.0000 1.81818E-02 0.7002 57 1
11532 . 90.71700 54.000 58.373 1.0000 0.0000 1.85185E-02 0.7002 57 1
11533 . 90.72401 59.000 56.990 1.0000 0.0000 1.69492E-02 0.7002 57 1
11534 . 90.73100 59.000 55.659 1.0000 0.0000 1.69492E-02 0.6992 57 2
11535 . 90.73799 51.000 54.448 1.0000 0.0000 1.96078E-02 0.7002 57 2
11536 . 90.74500 57.000 53.443 1.0000 0.0000 1.75439E-02 0.7002 57 2
11537 . 90.75199 59.000 52.669 1.0000 0.0000 1.69492E-02 0.7002 57 2
11538 . 90.75900 51.000 52.102 1.0000 0.0000 1.96078E-02 0.7002 57 2
11539 . 90.76601 56.000 51.708 1.0000 0.0000 1.78571E-02 0.6992 57 2
11540 . 90.77299 59.000 51.444 1.0000 0.0000 1.69492E-02 0.7002 57 2
11541 . 90.78000 57.000 51.270 1.0000 0.0000 1.75439E-02 0.7002 57 2
11542 . 90.78699 50.000 51.154 1.0000 0.0000 2.00000E-02 0.7002 57 2
11543 . 90.79401 42.000 51.075 1.0000 0.0000 2.38095E-02 0.7002 57 2
11544 . 90.80100 55.000 51.019 1.0000 0.0000 1.81818E-02 0.6992 57 2
11545 . 90.80799 72.000 50.978 1.0000 0.0000 1.38889E-02 0.7002 57 2
11546 . 90.81500 54.000 50.945 1.0000 0.0000 1.85185E-02 0.7002 57 2
11547 . 90.82199 54.000 50.919 1.0000 0.0000 1.85185E-02 0.7002 57 2
11548 . 90.82900 46.000 50.897 1.0000 0.0000 2.17391E-02 0.7002 57 2
11549 . 90.83601 52.000 50.880 1.0000 0.0000 1.92308E-02 0.6992 57 2
11550 . 90.84299 62.000 50.867 1.0000 0.0000 1.61290E-02 0.7002 57 2
11551 . 90.85000 59.000 50.857 1.0000 0.0000 1.69492E-02 0.7002 57 2
11552 . 90.85699 57.000 50.850 1.0000 0.0000 1.75439E-02 0.7002 57 2
11553 . 90.86401 53.000 50.847 1.0000 0.0000 1.88679E-02 0.7002 57 2
11554 . 90.87100 54.000 50.847 1.0000 0.0000 1.85185E-02 0.6992 57 2
11555 . 90.87799 48.000 50.852 1.0000 0.0000 2.08333E-02 0.7002 57 2
11556 . 90.88500 51.000 50.864 1.0000 0.0000 1.96078E-02 0.7002 57 2
11557 . 90.89199 50.000 50.886 1.0000 0.0000 2.00000E-02 0.7002 57 2
11558 . 90.89900 55.000 50.923 1.0000 0.0000 1.81818E-02 0.7002 57 2
11559 . 90.90601 60.000 50.985 1.0000 0.0000 1.66667E-02 0.6992 57 2
11560 . 90.91299 65.000 51.085 1.0000 0.0000 1.53846E-02 0.7002 57 2
11561 . 90.92000 50.000 51.242 1.0000 0.0000 2.00000E-02 0.7002 57 2
11562 . 90.92699 46.000 51.475 1.0000 0.0000 2.17391E-02 0.7002 57 2
11563 . 90.93401 47.000 51.806 1.0000 0.0000 2.12766E-02 0.7002 57 2
11564 . 90.94101 54.000 52.249 1.0000 0.0000 1.85185E-02 0.6992 57 2
11565 . 90.94799 56.000 52.800 1.0000 0.0000 1.78571E-02 0.7002 57 2
11566 . 90.95500 56.000 53.386 1.0000 0.0000 1.78571E-02 0.7002 58 1
11567 . 90.96199 56.000 54.071 1.0000 0.0000 1.78571E-02 0.7002 58 1
11568 . 90.96900 55.000 54.715 1.0000 0.0000 1.81818E-02 0.7002 58 1
11569 . 90.97601 54.000 55.205 1.0000 0.0000 1.85185E-02 0.6992 58 1
11570 .1 90.98299 47.000 55.425 1.0000 0.0000 2.12766E-02 0.7002 58 1
11571 . 90.99000 57.000 55.311 1.0000 0.0000 1.75439E-02 0.7002 58 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 205
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11572 . 90.99699 55.000 54.895 1.0000 0.0000 1.81818E-02 0.7002 58 1
11573 . 91.00401 61.000 54.282 1.0000 0.0000 1.63934E-02 0.7002 58 1
11574 . 91.01101 52.000 53.591 1.0000 0.0000 1.92308E-02 0.6992 58 1
11575 . 91.01799 53.000 52.917 1.0000 0.0000 1.88679E-02 0.7002 58 1
11576 . 91.02500 48.000 52.316 1.0000 0.0000 2.08333E-02 0.7002 58 1
11577 . 91.03199 56.000 51.822 1.0000 0.0000 1.78571E-02 0.7002 58 1
11578 . 91.03900 53.000 51.439 1.0000 0.0000 1.88679E-02 0.7002 58 1
11579 . 91.04601 52.000 51.161 1.0000 0.0000 1.92308E-02 0.6992 58 1
11580 . 91.05299 61.000 50.966 1.0000 0.0000 1.63934E-02 0.7002 58 1
11581 . 91.06000 65.000 50.834 1.0000 0.0000 1.53846E-02 0.7002 58 1
11582 . 91.06699 63.000 50.746 1.0000 0.0000 1.58730E-02 0.7002 58 1
11583 . 91.07401 57.000 50.686 1.0000 0.0000 1.75439E-02 0.7002 58 1
11584 . 91.08101 51.000 50.643 1.0000 0.0000 1.96078E-02 0.6992 58 1
11585 . 91.08799 54.000 50.612 1.0000 0.0000 1.85185E-02 0.7002 58 1
11586 . 91.09500 53.000 50.587 1.0000 0.0000 1.88679E-02 0.7002 58 1
11587 . 91.10199 52.000 50.566 1.0000 0.0000 1.92308E-02 0.7002 58 1
11588 . 91.10900 37.000 50.548 1.0000 0.0000 2.70270E-02 0.7002 58 1
11589 . 91.11600 64.000 50.533 1.0000 0.0000 1.56250E-02 0.6992 58 1
11590 . 91.12299 55.000 50.519 1.0000 0.0000 1.81818E-02 0.7002 58 1
11591 . 91.13000 46.000 50.506 1.0000 0.0000 2.17391E-02 0.7002 58 1
11592 . 91.13699 56.000 50.494 1.0000 0.0000 1.78571E-02 0.7002 58 1
11593 . 91.14400 46.000 50.483 1.0000 0.0000 2.17391E-02 0.7002 58 1
11594 . 91.15101 53.000 50.473 1.0000 0.0000 1.88679E-02 0.6992 58 1
11595 . 91.15799 57.000 50.464 1.0000 0.0000 1.75439E-02 0.7002 58 1
11596 . 91.16500 53.000 50.455 1.0000 0.0000 1.88679E-02 0.7002 58 1
11597 . 91.17199 51.000 50.446 1.0000 0.0000 1.96078E-02 0.7002 58 1
11598 . 91.17900 56.000 50.438 1.0000 0.0000 1.78571E-02 0.7002 58 1
11599 . 91.18600 55.000 50.431 1.0000 0.0000 1.81818E-02 0.6992 58 1
11600 . 91.19299 57.000 50.423 1.0000 0.0000 1.75439E-02 0.7002 58 1
11601 . 91.20000 52.000 50.416 1.0000 0.0000 1.92308E-02 0.7002 58 1
11602 . 91.20699 37.000 50.409 1.0000 0.0000 2.70270E-02 0.7002 58 1
11603 . 91.21400 49.000 50.403 1.0000 0.0000 2.04082E-02 0.7002 58 1
11604 . 91.22101 46.000 50.396 1.0000 0.0000 2.17391E-02 0.6992 58 1
11605 . 91.22799 55.000 50.390 1.0000 0.0000 1.81818E-02 0.7002 58 1
11606 . 91.23500 54.000 50.384 1.0000 0.0000 1.85185E-02 0.7002 58 1
11607 B 91.24199 53.000 50.350 1.0000 0.0000 1.88679E-02 0.7002 0 1
11608 B 91.24900 48.000 50.345 1.0000 0.0000 2.08333E-02 0.7002 0 1
11609 B 91.25600 48.000 50.341 1.0000 0.0000 2.08333E-02 0.6992 0 1
11610 B 91.26299 46.000 50.337 1.0000 0.0000 2.17391E-02 0.7002 0 1
11611 B 91.27000 50.000 50.332 1.0000 0.0000 2.00000E-02 0.7002 0 1
11612 B 91.27699 44.000 50.328 1.0000 0.0000 2.27273E-02 0.7002 0 1
11613 B 91.28400 46.000 50.324 1.0000 0.0000 2.17391E-02 0.7002 0 1
11614 B 91.29101 46.000 50.319 1.0000 0.0000 2.17391E-02 0.6992 0 1
11615 B 91.29799 55.000 50.315 1.0000 0.0000 1.81818E-02 0.7002 0 1
11616 B 91.30500 58.000 50.311 1.0000 0.0000 1.72414E-02 0.7002 0 1
11617 B 91.31199 59.000 50.306 1.0000 0.0000 1.69492E-02 0.7002 0 1
11618 B 91.31900 44.000 50.302 1.0000 0.0000 2.27273E-02 0.7002 0 1
11619 B 91.32600 55.000 50.298 1.0000 0.0000 1.81818E-02 0.6992 0 1
11620 B 91.33298 53.000 50.293 1.0000 0.0000 1.88679E-02 0.7002 0 1
11621 B 91.34000 47.000 50.289 1.0000 0.0000 2.12766E-02 0.7002 0 1
11622 B 91.34699 42.000 50.285 1.0000 0.0000 2.38095E-02 0.7002 0 1
11623 B 91.35400 58.000 50.280 1.0000 0.0000 1.72414E-02 0.7002 0 1
11624 B 91.36101 52.000 50.276 1.0000 0.0000 1.92308E-02 0.6992 0 1
11625 B 91.36799 52.000 50.272 1.0000 0.0000 1.92308E-02 0.7002 0 1
11626 B 91.37500 52.000 50.267 1.0000 0.0000 1.92308E-02 0.7002 0 1
11627 B 91.38199 56.000 50.263 1.0000 0.0000 1.78571E-02 0.7002 0 1
11628 B 91.38901 52.000 50.259 1.0000 0.0000 1.92308E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 206
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11629 B 91.39600 51.000 50.254 1.0000 0.0000 1.96078E-02 0.6992 0 1
11630 B 91.40298 56.000 50.250 1.0000 0.0000 1.78571E-02 0.7002 0 1
11631 B 91.41000 49.000 50.246 1.0000 0.0000 2.04082E-02 0.7002 0 1
11632 B 91.41699 42.000 50.242 1.0000 0.0000 2.38095E-02 0.7002 0 1
11633 B 91.42400 53.000 50.237 1.0000 0.0000 1.88679E-02 0.7002 0 1
11634 B 91.43101 54.000 50.233 1.0000 0.0000 1.85185E-02 0.6992 0 1
11635 B 91.43799 51.000 50.229 1.0000 0.0000 1.96078E-02 0.7002 0 1
11636 B 91.44500 64.000 50.224 1.0000 0.0000 1.56250E-02 0.7002 0 1
11637 B 91.45200 64.000 50.220 1.0000 0.0000 1.56250E-02 0.7002 0 1
11638 B 91.45901 49.000 50.216 1.0000 0.0000 2.04082E-02 0.7002 0 1
11639 B 91.46600 60.000 50.212 1.0000 0.0000 1.66667E-02 0.6992 0 1
11640 B 91.47299 49.000 50.207 1.0000 0.0000 2.04082E-02 0.7002 0 1
11641 B 91.48000 52.000 50.203 1.0000 0.0000 1.92308E-02 0.7002 0 1
11642 B 91.48699 54.000 50.199 1.0000 0.0000 1.85185E-02 0.7002 0 1
11643 B 91.49400 47.000 50.194 1.0000 0.0000 2.12766E-02 0.7002 0 1
11644 B 91.50101 44.000 50.190 1.0000 0.0000 2.27273E-02 0.6992 0 1
11645 B 91.50799 55.000 50.186 1.0000 0.0000 1.81818E-02 0.7002 0 1
11646 B 91.51500 48.000 50.182 1.0000 0.0000 2.08333E-02 0.7002 0 1
11647 B 91.52200 54.000 50.177 1.0000 0.0000 1.85185E-02 0.7002 0 1
11648 B 91.52901 45.000 50.173 1.0000 0.0000 2.22222E-02 0.7002 0 1
11649 B 91.53600 45.000 50.169 1.0000 0.0000 2.22222E-02 0.6992 0 1
11650 B 91.54299 48.000 50.165 1.0000 0.0000 2.08333E-02 0.7002 0 1
11651 B 91.55000 49.000 50.160 1.0000 0.0000 2.04082E-02 0.7002 0 1
11652 B 91.55699 50.000 50.156 1.0000 0.0000 2.00000E-02 0.7002 0 1
11653 B 91.56400 52.000 50.152 1.0000 0.0000 1.92308E-02 0.7002 0 1
11654 B 91.57101 63.000 50.148 1.0000 0.0000 1.58730E-02 0.6992 0 1
11655 B 91.57799 55.000 50.144 1.0000 0.0000 1.81818E-02 0.7002 0 1
11656 B 91.58500 51.000 50.139 1.0000 0.0000 1.96078E-02 0.7002 0 1
11657 B 91.59200 54.000 50.135 1.0000 0.0000 1.85185E-02 0.7002 0 1
11658 B 91.59901 51.000 50.131 1.0000 0.0000 1.96078E-02 0.7002 0 1
11659 B 91.60600 44.000 50.127 1.0000 0.0000 2.27273E-02 0.6992 0 1
11660 B 91.61299 44.000 50.122 1.0000 0.0000 2.27273E-02 0.7002 0 1
11661 B 91.62000 42.000 50.118 1.0000 0.0000 2.38095E-02 0.7002 0 1
11662 B 91.62699 50.000 50.114 1.0000 0.0000 2.00000E-02 0.7002 0 1
11663 B 91.63400 50.000 50.110 1.0000 0.0000 2.00000E-02 0.7002 0 1
11664 B 91.64101 46.000 50.106 1.0000 0.0000 2.17391E-02 0.6992 0 1
11665 B 91.64799 51.000 50.101 1.0000 0.0000 1.96078E-02 0.7002 0 1
11666 B 91.65500 48.000 50.097 1.0000 0.0000 2.08333E-02 0.7002 0 1
11667 B 91.66199 50.000 50.093 1.0000 0.0000 2.00000E-02 0.7002 0 1
11668 B 91.66901 39.000 50.089 1.0000 0.0000 2.56410E-02 0.7002 0 1
11669 B 91.67600 61.000 50.085 1.0000 0.0000 1.63934E-02 0.6992 0 1
11670 B 91.68299 55.000 50.081 1.0000 0.0000 1.81818E-02 0.7002 0 1
11671 B 91.69000 58.000 50.076 1.0000 0.0000 1.72414E-02 0.7002 0 1
11672 B 91.69699 60.000 50.072 1.0000 0.0000 1.66667E-02 0.7002 0 1
11673 B 91.70400 57.000 50.068 1.0000 0.0000 1.75439E-02 0.7002 0 1
11674 B 91.71101 52.000 50.064 1.0000 0.0000 1.92308E-02 0.6992 0 1
11675 B 91.71799 43.000 50.060 1.0000 0.0000 2.32558E-02 0.7002 0 1
11676 B 91.72500 48.000 50.055 1.0000 0.0000 2.08333E-02 0.7002 0 1
11677 B 91.73199 46.000 50.051 1.0000 0.0000 2.17391E-02 0.7002 0 1
11678 B 91.73901 42.000 50.047 1.0000 0.0000 2.38095E-02 0.7002 0 1
11679 B 91.74600 47.000 50.043 1.0000 0.0000 2.12766E-02 0.6992 0 1
11680 B 91.75299 49.000 50.039 1.0000 0.0000 2.04082E-02 0.7002 0 1
11681 B 91.76000 52.000 50.035 1.0000 0.0000 1.92308E-02 0.7002 0 1
11682 B 91.76699 55.000 50.031 1.0000 0.0000 1.81818E-02 0.7002 0 1
11683 B 91.77400 58.000 50.026 1.0000 0.0000 1.72414E-02 0.7002 0 1
11684 B 91.78101 45.000 50.022 1.0000 0.0000 2.22222E-02 0.6992 0 1
11685 B 91.78799 40.000 50.018 1.0000 0.0000 2.50000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 207
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11686 B 91.79500 52.000 50.014 1.0000 0.0000 1.92308E-02 0.7002 0 1
11687 B 91.80199 57.000 50.010 1.0000 0.0000 1.75439E-02 0.7002 0 1
11688 B 91.80901 50.000 50.006 1.0000 0.0000 2.00000E-02 0.7002 0 1
11689 B 91.81601 49.000 50.002 1.0000 0.0000 2.04082E-02 0.6992 0 1
11690 B 91.82299 49.000 49.998 1.0000 0.0000 2.04082E-02 0.7002 0 1
11691 B 91.83000 57.000 49.993 1.0000 0.0000 1.75439E-02 0.7002 0 1
11692 B 91.83699 60.000 49.989 1.0000 0.0000 1.66667E-02 0.7002 0 1
11693 B 91.84400 48.000 49.985 1.0000 0.0000 2.08333E-02 0.7002 0 1
11694 B 91.85101 50.000 49.981 1.0000 0.0000 2.00000E-02 0.6992 0 1
11695 B 91.85799 47.000 49.977 1.0000 0.0000 2.12766E-02 0.7002 0 1
11696 B 91.86500 56.000 49.973 1.0000 0.0000 1.78571E-02 0.7002 0 1
11697 B 91.87199 51.000 49.969 1.0000 0.0000 1.96078E-02 0.7002 0 1
11698 B 91.87901 46.000 49.965 1.0000 0.0000 2.17391E-02 0.7002 0 1
11699 B 91.88601 49.000 49.961 1.0000 0.0000 2.04082E-02 0.6992 0 1
11700 B 91.89299 46.000 49.957 1.0000 0.0000 2.17391E-02 0.7002 0 1
11701 B 91.90000 53.000 49.952 1.0000 0.0000 1.88679E-02 0.7002 0 1
11702 B 91.90699 51.000 49.948 1.0000 0.0000 1.96078E-02 0.7002 0 1
11703 B 91.91400 59.000 49.944 1.0000 0.0000 1.69492E-02 0.7002 0 1
11704 B 91.92101 46.000 49.940 1.0000 0.0000 2.17391E-02 0.6992 0 1
11705 B 91.92799 45.000 49.936 1.0000 0.0000 2.22222E-02 0.7002 0 1
11706 B 91.93500 47.000 49.932 1.0000 0.0000 2.12766E-02 0.7002 0 1
11707 B 91.94199 43.000 49.928 1.0000 0.0000 2.32558E-02 0.7002 0 1
11708 B 91.94901 44.000 49.924 1.0000 0.0000 2.27273E-02 0.7002 0 1
11709 B 91.95601 55.000 49.920 1.0000 0.0000 1.81818E-02 0.6992 0 1
11710 B 91.96299 57.000 49.916 1.0000 0.0000 1.75439E-02 0.7002 0 1
11711 B 91.97000 54.000 49.912 1.0000 0.0000 1.85185E-02 0.7002 0 1
11712 B 91.97699 36.000 49.908 1.0000 0.0000 2.77778E-02 0.7002 0 1
11713 B 91.98400 46.000 49.904 1.0000 0.0000 2.17391E-02 0.7002 0 1
11714 B 91.99100 42.000 49.900 1.0000 0.0000 2.38095E-02 0.6992 0 1
11715 B 91.99799 49.000 49.896 1.0000 0.0000 2.04082E-02 0.7002 0 1
11716 B 92.00500 49.000 49.892 1.0000 0.0000 2.04082E-02 0.7002 0 1
11717 B 92.01199 49.000 49.888 1.0000 0.0000 2.04082E-02 0.7002 0 1
11718 B 92.01900 45.000 49.883 1.0000 0.0000 2.22222E-02 0.7002 0 1
11719 B 92.02601 43.000 49.879 1.0000 0.0000 2.32558E-02 0.6992 0 1
11720 B 92.03299 48.000 49.875 1.0000 0.0000 2.08333E-02 0.7002 0 1
11721 B 92.04000 54.000 49.871 1.0000 0.0000 1.85185E-02 0.7002 0 1
11722 B 92.04699 47.000 49.867 1.0000 0.0000 2.12766E-02 0.7002 0 1
11723 B 92.05400 41.000 49.863 1.0000 0.0000 2.43902E-02 0.7002 0 1
11724 B 92.06100 45.000 49.859 1.0000 0.0000 2.22222E-02 0.6992 0 1
11725 B 92.06799 49.000 49.855 1.0000 0.0000 2.04082E-02 0.7002 0 1
11726 B 92.07500 41.000 49.851 1.0000 0.0000 2.43902E-02 0.7002 0 1
11727 B 92.08199 51.000 49.847 1.0000 0.0000 1.96078E-02 0.7002 0 1
11728 B 92.08900 46.000 49.843 1.0000 0.0000 2.17391E-02 0.7002 0 1
11729 B 92.09601 39.000 49.839 1.0000 0.0000 2.56410E-02 0.6992 0 1
11730 B 92.10299 39.000 49.835 1.0000 0.0000 2.56410E-02 0.7002 0 1
11731 B 92.11000 42.000 49.831 1.0000 0.0000 2.38095E-02 0.7002 0 1
11732 B 92.11699 49.000 49.827 1.0000 0.0000 2.04082E-02 0.7002 0 1
11733 B 92.12400 62.000 49.823 1.0000 0.0000 1.61290E-02 0.7002 0 1
11734 B 92.13100 61.000 49.819 1.0000 0.0000 1.63934E-02 0.6992 0 1
11735 B 92.13799 53.000 49.815 1.0000 0.0000 1.88679E-02 0.7002 0 1
11736 B 92.14500 46.000 49.811 1.0000 0.0000 2.17391E-02 0.7002 0 1
11737 B 92.15199 42.000 49.807 1.0000 0.0000 2.38095E-02 0.7002 0 1
11738 B 92.15900 53.000 49.803 1.0000 0.0000 1.88679E-02 0.7002 0 1
11739 B 92.16601 53.000 49.800 1.0000 0.0000 1.88679E-02 0.6992 0 1
11740 B 92.17299 48.000 49.796 1.0000 0.0000 2.08333E-02 0.7002 0 1
11741 B 92.18000 34.000 49.792 1.0000 0.0000 2.94118E-02 0.7002 0 1
11742 B 92.18699 32.000 49.788 1.0000 0.0000 3.12500E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 208
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11743 B 92.19400 37.000 49.784 1.0000 0.0000 2.70270E-02 0.7002 0 1
11744 B 92.20100 43.000 49.780 1.0000 0.0000 2.32558E-02 0.6992 0 1
11745 B 92.20798 56.000 49.776 1.0000 0.0000 1.78571E-02 0.7002 0 1
11746 B 92.21500 54.000 49.772 1.0000 0.0000 1.85185E-02 0.7002 0 1
11747 B 92.22199 52.000 49.768 1.0000 0.0000 1.92308E-02 0.7002 0 1
11748 B 92.22900 37.000 49.764 1.0000 0.0000 2.70270E-02 0.7002 0 1
11749 B 92.23601 42.000 49.760 1.0000 0.0000 2.38095E-02 0.6992 0 1
11750 B 92.24299 37.000 49.756 1.0000 0.0000 2.70270E-02 0.7002 0 1
11751 B 92.25000 41.000 49.752 1.0000 0.0000 2.43902E-02 0.7002 0 1
11752 B 92.25699 54.000 49.748 1.0000 0.0000 1.85185E-02 0.7002 0 1
11753 B 92.26401 49.000 49.744 1.0000 0.0000 2.04082E-02 0.7002 0 1
11754 B 92.27100 44.000 49.740 1.0000 0.0000 2.27273E-02 0.6992 0 1
11755 B 92.27798 45.000 49.736 1.0000 0.0000 2.22222E-02 0.7002 0 1
11756 B 92.28500 42.000 49.733 1.0000 0.0000 2.38095E-02 0.7002 0 1
11757 B 92.29199 40.000 49.729 1.0000 0.0000 2.50000E-02 0.7002 0 1
11758 B 92.29900 57.000 49.725 1.0000 0.0000 1.75439E-02 0.7002 0 1
11759 B 92.30601 50.000 49.721 1.0000 0.0000 2.00000E-02 0.6992 0 1
11760 B 92.31299 42.000 49.717 1.0000 0.0000 2.38095E-02 0.7002 0 1
11761 B 92.32000 42.000 49.713 1.0000 0.0000 2.38095E-02 0.7002 0 1
11762 B 92.32700 48.000 49.709 1.0000 0.0000 2.08333E-02 0.7002 0 1
11763 B 92.33401 50.000 49.705 1.0000 0.0000 2.00000E-02 0.7002 0 1
11764 B 92.34100 52.000 49.701 1.0000 0.0000 1.92308E-02 0.6992 0 1
11765 B 92.34799 56.000 49.697 1.0000 0.0000 1.78571E-02 0.7002 0 1
11766 B 92.35500 46.000 49.694 1.0000 0.0000 2.17391E-02 0.7002 0 1
11767 B 92.36199 45.000 49.690 1.0000 0.0000 2.22222E-02 0.7002 0 1
11768 B 92.36900 43.000 49.686 1.0000 0.0000 2.32558E-02 0.7002 0 1
11769 B 92.37601 45.000 49.682 1.0000 0.0000 2.22222E-02 0.6992 0 1
11770 B 92.38299 45.000 49.678 1.0000 0.0000 2.22222E-02 0.7002 0 1
11771 B 92.39000 51.000 49.674 1.0000 0.0000 1.96078E-02 0.7002 0 1
11772 B 92.39700 43.000 49.670 1.0000 0.0000 2.32558E-02 0.7002 0 1
11773 B 92.40401 50.000 49.666 1.0000 0.0000 2.00000E-02 0.7002 0 1
11774 B 92.41100 60.000 49.663 1.0000 0.0000 1.66667E-02 0.6992 0 1
11775 B 92.41799 49.000 49.659 1.0000 0.0000 2.04082E-02 0.7002 0 1
11776 B 92.42500 56.000 49.655 1.0000 0.0000 1.78571E-02 0.7002 0 1
11777 B 92.43199 45.000 49.651 1.0000 0.0000 2.22222E-02 0.7002 0 1
11778 B 92.43900 59.000 49.647 1.0000 0.0000 1.69492E-02 0.7002 0 1
11779 B 92.44601 52.000 49.643 1.0000 0.0000 1.92308E-02 0.6992 0 1
11780 B 92.45299 46.000 49.640 1.0000 0.0000 2.17391E-02 0.7002 0 1
11781 B 92.46000 43.000 49.636 1.0000 0.0000 2.32558E-02 0.7002 0 1
11782 B 92.46700 47.000 49.632 1.0000 0.0000 2.12766E-02 0.7002 0 1
11783 B 92.47401 44.000 49.628 1.0000 0.0000 2.27273E-02 0.7002 0 1
11784 B 92.48100 44.000 49.624 1.0000 0.0000 2.27273E-02 0.6992 0 1
11785 B 92.48799 56.000 49.620 1.0000 0.0000 1.78571E-02 0.7002 0 1
11786 B 92.49500 51.000 49.617 1.0000 0.0000 1.96078E-02 0.7002 0 1
11787 B 92.50199 43.000 49.613 1.0000 0.0000 2.32558E-02 0.7002 0 1
11788 B 92.50900 53.000 49.609 1.0000 0.0000 1.88679E-02 0.7002 0 1
11789 B 92.51601 47.000 49.605 1.0000 0.0000 2.12766E-02 0.6992 0 1
11790 B 92.52299 52.000 49.601 1.0000 0.0000 1.92308E-02 0.7002 0 1
11791 B 92.53000 47.000 49.597 1.0000 0.0000 2.12766E-02 0.7002 0 1
11792 B 92.53699 49.000 49.594 1.0000 0.0000 2.04082E-02 0.7002 0 1
11793 B 92.54401 43.000 49.590 1.0000 0.0000 2.32558E-02 0.7002 0 1
11794 B 92.55100 43.000 49.586 1.0000 0.0000 2.32558E-02 0.6992 0 1
11795 B 92.55799 41.000 49.582 1.0000 0.0000 2.43902E-02 0.7002 0 1
11796 B 92.56500 38.000 49.578 1.0000 0.0000 2.63158E-02 0.7002 0 1
11797 B 92.57199 40.000 49.575 1.0000 0.0000 2.50000E-02 0.7002 0 1
11798 B 92.57900 49.000 49.571 1.0000 0.0000 2.04082E-02 0.7002 0 1
11799 B 92.58601 53.000 49.567 1.0000 0.0000 1.88679E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 209
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11800 B 92.59299 49.000 49.563 1.0000 0.0000 2.04082E-02 0.7002 0 1
11801 B 92.60000 60.000 49.560 1.0000 0.0000 1.66667E-02 0.7002 0 1
11802 B 92.60699 40.000 49.556 1.0000 0.0000 2.50000E-02 0.7002 0 1
11803 B 92.61401 41.000 49.552 1.0000 0.0000 2.43902E-02 0.7002 0 1
11804 B 92.62100 50.000 49.548 1.0000 0.0000 2.00000E-02 0.6992 0 1
11805 B 92.62799 47.000 49.544 1.0000 0.0000 2.12766E-02 0.7002 0 1
11806 B 92.63500 47.000 49.541 1.0000 0.0000 2.12766E-02 0.7002 0 1
11807 B 92.64199 39.000 49.537 1.0000 0.0000 2.56410E-02 0.7002 0 1
11808 B 92.64900 53.000 49.533 1.0000 0.0000 1.88679E-02 0.7002 0 1
11809 B 92.65601 56.000 49.529 1.0000 0.0000 1.78571E-02 0.6992 0 1
11810 B 92.66299 55.000 49.526 1.0000 0.0000 1.81818E-02 0.7002 0 1
11811 B 92.67000 41.000 49.522 1.0000 0.0000 2.43902E-02 0.7002 0 1
11812 B 92.67699 42.000 49.518 1.0000 0.0000 2.38095E-02 0.7002 0 1
11813 B 92.68401 42.000 49.514 1.0000 0.0000 2.38095E-02 0.7002 0 1
11814 B 92.69101 45.000 49.511 1.0000 0.0000 2.22222E-02 0.6992 0 1
11815 B 92.69799 38.000 49.507 1.0000 0.0000 2.63158E-02 0.7002 0 1
11816 B 92.70500 37.000 49.503 1.0000 0.0000 2.70270E-02 0.7002 0 1
11817 B 92.71199 41.000 49.500 1.0000 0.0000 2.43902E-02 0.7002 0 1
11818 B 92.71900 48.000 49.496 1.0000 0.0000 2.08333E-02 0.7002 0 1
11819 B 92.72601 51.000 49.492 1.0000 0.0000 1.96078E-02 0.6992 0 1
11820 B 92.73299 55.000 49.488 1.0000 0.0000 1.81818E-02 0.7002 0 1
11821 B 92.74000 55.000 49.485 1.0000 0.0000 1.81818E-02 0.7002 0 1
11822 B 92.74699 45.000 49.481 1.0000 0.0000 2.22222E-02 0.7002 0 1
11823 B 92.75401 46.000 49.477 1.0000 0.0000 2.17391E-02 0.7002 0 1
11824 B 92.76101 47.000 49.474 1.0000 0.0000 2.12766E-02 0.6992 0 1
11825 B 92.76799 47.000 49.470 1.0000 0.0000 2.12766E-02 0.7002 0 1
11826 B 92.77500 55.000 49.466 1.0000 0.0000 1.81818E-02 0.7002 0 1
11827 B 92.78199 56.000 49.462 1.0000 0.0000 1.78571E-02 0.7002 0 1
11828 B 92.78900 55.000 49.459 1.0000 0.0000 1.81818E-02 0.7002 0 1
11829 B 92.79601 54.000 49.455 1.0000 0.0000 1.85185E-02 0.6992 0 1
11830 B 92.80299 46.000 49.451 1.0000 0.0000 2.17391E-02 0.7002 0 1
11831 B 92.81000 41.000 49.448 1.0000 0.0000 2.43902E-02 0.7002 0 1
11832 B 92.81699 44.000 49.444 1.0000 0.0000 2.27273E-02 0.7002 0 1
11833 B 92.82401 57.000 49.440 1.0000 0.0000 1.75439E-02 0.7002 0 1
11834 B 92.83101 44.000 49.437 1.0000 0.0000 2.27273E-02 0.6992 0 1
11835 B 92.83799 48.000 49.433 1.0000 0.0000 2.08333E-02 0.7002 0 1
11836 B 92.84500 40.000 49.429 1.0000 0.0000 2.50000E-02 0.7002 0 1
11837 B 92.85199 59.000 49.426 1.0000 0.0000 1.69492E-02 0.7002 0 1
11838 B 92.85900 35.000 49.422 1.0000 0.0000 2.85714E-02 0.7002 0 1
11839 B 92.86600 43.000 49.418 1.0000 0.0000 2.32558E-02 0.6992 0 1
11840 B 92.87299 52.000 49.415 1.0000 0.0000 1.92308E-02 0.7002 0 1
11841 B 92.88000 51.000 49.411 1.0000 0.0000 1.96078E-02 0.7002 0 1
11842 B 92.88699 48.000 49.407 1.0000 0.0000 2.08333E-02 0.7002 0 1
11843 B 92.89400 44.000 49.404 1.0000 0.0000 2.27273E-02 0.7002 0 1
11844 B 92.90101 49.000 49.400 1.0000 0.0000 2.04082E-02 0.6992 0 1
11845 B 92.90799 50.000 49.396 1.0000 0.0000 2.00000E-02 0.7002 0 1
11846 B 92.91500 42.000 49.393 1.0000 0.0000 2.38095E-02 0.7002 0 1
11847 B 92.92199 42.000 49.389 1.0000 0.0000 2.38095E-02 0.7002 0 1
11848 B 92.92900 39.000 49.385 1.0000 0.0000 2.56410E-02 0.7002 0 1
11849 B 92.93600 49.000 49.382 1.0000 0.0000 2.04082E-02 0.6992 0 1
11850 B 92.94299 46.000 49.378 1.0000 0.0000 2.17391E-02 0.7002 0 1
11851 B 92.95000 54.000 49.375 1.0000 0.0000 1.85185E-02 0.7002 0 1
11852 B 92.95699 56.000 49.371 1.0000 0.0000 1.78571E-02 0.7002 0 1
11853 B 92.96400 50.000 49.367 1.0000 0.0000 2.00000E-02 0.7002 0 1
11854 B 92.97101 44.000 49.364 1.0000 0.0000 2.27273E-02 0.6992 0 1
11855 B 92.97799 43.000 49.360 1.0000 0.0000 2.32558E-02 0.7002 0 1
11856 B 92.98500 53.000 49.357 1.0000 0.0000 1.88679E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 210
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11857 B 92.99199 52.000 49.353 1.0000 0.0000 1.92308E-02 0.7002 0 1
11858 B 92.99900 53.000 49.349 1.0000 0.0000 1.88679E-02 0.7002 0 1
11859 B 93.00600 51.000 49.346 1.0000 0.0000 1.96078E-02 0.6992 0 1
11860 B 93.01299 52.000 49.342 1.0000 0.0000 1.92308E-02 0.7002 0 1
11861 B 93.02000 49.000 49.339 1.0000 0.0000 2.04082E-02 0.7002 0 1
11862 B 93.02699 48.000 49.335 1.0000 0.0000 2.08333E-02 0.7002 0 1
11863 B 93.03400 51.000 49.331 1.0000 0.0000 1.96078E-02 0.7002 0 1
11864 B 93.04101 34.000 49.328 1.0000 0.0000 2.94118E-02 0.6992 0 1
11865 B 93.04799 44.000 49.324 1.0000 0.0000 2.27273E-02 0.7002 0 1
11866 B 93.05500 52.000 49.321 1.0000 0.0000 1.92308E-02 0.7002 0 1
11867 B 93.06199 41.000 49.317 1.0000 0.0000 2.43902E-02 0.7002 0 1
11868 B 93.06900 48.000 49.313 1.0000 0.0000 2.08333E-02 0.7002 0 1
11869 B 93.07600 47.000 49.310 1.0000 0.0000 2.12766E-02 0.6992 0 1
11870 B 93.08298 36.000 49.306 1.0000 0.0000 2.77778E-02 0.7002 0 1
11871 B 93.09000 45.000 49.303 1.0000 0.0000 2.22222E-02 0.7002 0 1
11872 B 93.09699 45.000 49.299 1.0000 0.0000 2.22222E-02 0.7002 0 1
11873 B 93.10400 52.000 49.296 1.0000 0.0000 1.92308E-02 0.7002 0 1
11874 B 93.11101 54.000 49.292 1.0000 0.0000 1.85185E-02 0.6992 0 1
11875 B 93.11799 53.000 49.289 1.0000 0.0000 1.88679E-02 0.7002 0 1
11876 B 93.12500 52.000 49.285 1.0000 0.0000 1.92308E-02 0.7002 0 1
11877 B 93.13199 59.000 49.281 1.0000 0.0000 1.69492E-02 0.7002 0 1
11878 B 93.13901 49.000 49.278 1.0000 0.0000 2.04082E-02 0.7002 0 1
11879 B 93.14600 52.000 49.274 1.0000 0.0000 1.92308E-02 0.6992 0 1
11880 B 93.15298 42.000 49.271 1.0000 0.0000 2.38095E-02 0.7002 0 1
11881 B 93.16000 50.000 49.267 1.0000 0.0000 2.00000E-02 0.7002 0 1
11882 B 93.16699 40.000 49.264 1.0000 0.0000 2.50000E-02 0.7002 0 1
11883 B 93.17400 47.000 49.260 1.0000 0.0000 2.12766E-02 0.7002 0 1
11884 B 93.18101 49.000 49.257 1.0000 0.0000 2.04082E-02 0.6992 0 1
11885 B 93.18799 53.000 49.253 1.0000 0.0000 1.88679E-02 0.7002 0 1
11886 B 93.19500 53.000 49.250 1.0000 0.0000 1.88679E-02 0.7002 0 1
11887 B 93.20200 60.000 49.246 1.0000 0.0000 1.66667E-02 0.7002 0 1
11888 B 93.20901 54.000 49.243 1.0000 0.0000 1.85185E-02 0.7002 0 1
11889 B 93.21600 52.000 49.239 1.0000 0.0000 1.92308E-02 0.6992 0 1
11890 B 93.22299 49.000 49.236 1.0000 0.0000 2.04082E-02 0.7002 0 1
11891 B 93.23000 48.000 49.232 1.0000 0.0000 2.08333E-02 0.7002 0 1
11892 B 93.23699 51.000 49.229 1.0000 0.0000 1.96078E-02 0.7002 0 1
11893 B 93.24400 54.000 49.225 1.0000 0.0000 1.85185E-02 0.7002 0 1
11894 B 93.25101 57.000 49.222 1.0000 0.0000 1.75439E-02 0.6992 0 1
11895 B 93.25799 55.000 49.218 1.0000 0.0000 1.81818E-02 0.7002 0 1
11896 B 93.26500 48.000 49.215 1.0000 0.0000 2.08333E-02 0.7002 0 1
11897 B 93.27200 50.000 49.211 1.0000 0.0000 2.00000E-02 0.7002 0 1
11898 B 93.27901 47.000 49.208 1.0000 0.0000 2.12766E-02 0.7002 0 1
11899 B 93.28600 48.000 49.204 1.0000 0.0000 2.08333E-02 0.6992 0 1
11900 B 93.29299 59.000 49.201 1.0000 0.0000 1.69492E-02 0.7002 0 1
11901 B 93.30000 50.000 49.197 1.0000 0.0000 2.00000E-02 0.7002 0 1
11902 B 93.30699 47.000 49.194 1.0000 0.0000 2.12766E-02 0.7002 0 1
11903 B 93.31400 50.000 49.190 1.0000 0.0000 2.00000E-02 0.7002 0 1
11904 B 93.32101 49.000 49.187 1.0000 0.0000 2.04082E-02 0.6992 0 1
11905 B 93.32799 46.000 49.184 1.0000 0.0000 2.17391E-02 0.7002 0 1
11906 B 93.33500 44.000 49.180 1.0000 0.0000 2.27273E-02 0.7002 0 1
11907 B 93.34200 48.000 49.177 1.0000 0.0000 2.08333E-02 0.7002 0 1
11908 B 93.34901 39.000 49.173 1.0000 0.0000 2.56410E-02 0.7002 0 1
11909 B 93.35600 55.000 49.170 1.0000 0.0000 1.81818E-02 0.6992 0 1
11910 B 93.36299 48.000 49.166 1.0000 0.0000 2.08333E-02 0.7002 0 1
11911 B 93.37000 49.000 49.163 1.0000 0.0000 2.04082E-02 0.7002 0 1
11912 B 93.37699 54.000 49.159 1.0000 0.0000 1.85185E-02 0.7002 0 1
11913 B 93.38400 43.000 49.156 1.0000 0.0000 2.32558E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 211
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11914 B 93.39101 50.000 49.153 1.0000 0.0000 2.00000E-02 0.6992 0 1
11915 B 93.39799 59.000 49.149 1.0000 0.0000 1.69492E-02 0.7002 0 1
11916 B 93.40500 57.000 49.146 1.0000 0.0000 1.75439E-02 0.7002 0 1
11917 B 93.41199 53.000 49.142 1.0000 0.0000 1.88679E-02 0.7002 0 1
11918 B 93.41901 45.000 49.139 1.0000 0.0000 2.22222E-02 0.7002 0 1
11919 B 93.42600 44.000 49.135 1.0000 0.0000 2.27273E-02 0.6992 0 1
11920 B 93.43299 59.000 49.132 1.0000 0.0000 1.69492E-02 0.7002 0 1
11921 B 93.44000 49.000 49.129 1.0000 0.0000 2.04082E-02 0.7002 0 1
11922 B 93.44699 41.000 49.125 1.0000 0.0000 2.43902E-02 0.7002 0 1
11923 B 93.45400 41.000 49.122 1.0000 0.0000 2.43902E-02 0.7002 0 1
11924 B 93.46101 45.000 49.118 1.0000 0.0000 2.22222E-02 0.6992 0 1
11925 B 93.46799 33.000 49.115 1.0000 0.0000 3.03030E-02 0.7002 0 1
11926 B 93.47500 57.000 49.112 1.0000 0.0000 1.75439E-02 0.7002 0 1
11927 B 93.48199 49.000 49.108 1.0000 0.0000 2.04082E-02 0.7002 0 1
11928 B 93.48901 46.000 49.105 1.0000 0.0000 2.17391E-02 0.7002 0 1
11929 B 93.49600 58.000 49.101 1.0000 0.0000 1.72414E-02 0.6992 0 1
11930 B 93.50299 53.000 49.098 1.0000 0.0000 1.88679E-02 0.7002 0 1
11931 B 93.51000 46.000 49.095 1.0000 0.0000 2.17391E-02 0.7002 0 1
11932 B 93.51699 45.000 49.091 1.0000 0.0000 2.22222E-02 0.7002 0 1
11933 B 93.52400 58.000 49.088 1.0000 0.0000 1.72414E-02 0.7002 0 1
11934 B 93.53101 53.000 49.085 1.0000 0.0000 1.88679E-02 0.6992 0 1
11935 B 93.53799 53.000 49.081 1.0000 0.0000 1.88679E-02 0.7002 0 1
11936 B 93.54500 60.000 49.078 1.0000 0.0000 1.66667E-02 0.7002 0 1
11937 B 93.55199 54.000 49.075 1.0000 0.0000 1.85185E-02 0.7002 0 1
11938 B 93.55901 55.000 49.071 1.0000 0.0000 1.81818E-02 0.7002 0 1
11939 B 93.56601 54.000 49.068 1.0000 0.0000 1.85185E-02 0.6992 0 1
11940 B 93.57299 46.000 49.064 1.0000 0.0000 2.17391E-02 0.7002 0 1
11941 B 93.58000 49.000 49.061 1.0000 0.0000 2.04082E-02 0.7002 0 1
11942 B 93.58699 56.000 49.058 1.0000 0.0000 1.78571E-02 0.7002 0 1
11943 B 93.59400 47.000 49.054 1.0000 0.0000 2.12766E-02 0.7002 0 1
11944 B 93.60101 58.000 49.051 1.0000 0.0000 1.72414E-02 0.6992 0 1
11945 B 93.60799 49.000 49.048 1.0000 0.0000 2.04082E-02 0.7002 0 1
11946 B 93.61500 56.000 49.044 1.0000 0.0000 1.78571E-02 0.7002 0 1
11947 B 93.62199 45.000 49.041 1.0000 0.0000 2.22222E-02 0.7002 0 1
11948 B 93.62901 44.000 49.038 1.0000 0.0000 2.27273E-02 0.7002 0 1
11949 B 93.63601 49.000 49.034 1.0000 0.0000 2.04082E-02 0.6992 0 1
11950 B 93.64299 49.000 49.031 1.0000 0.0000 2.04082E-02 0.7002 0 1
11951 B 93.65000 43.000 49.028 1.0000 0.0000 2.32558E-02 0.7002 0 1
11952 B 93.65699 47.000 49.025 1.0000 0.0000 2.12766E-02 0.7002 0 1
11953 B 93.66400 57.000 49.021 1.0000 0.0000 1.75439E-02 0.7002 0 1
11954 B 93.67101 50.000 49.018 1.0000 0.0000 2.00000E-02 0.6992 0 1
11955 B 93.67799 49.000 49.015 1.0000 0.0000 2.04082E-02 0.7002 0 1
11956 B 93.68500 48.000 49.011 1.0000 0.0000 2.08333E-02 0.7002 0 1
11957 B 93.69199 60.000 49.008 1.0000 0.0000 1.66667E-02 0.7002 0 1
11958 B 93.69901 66.000 49.005 1.0000 0.0000 1.51515E-02 0.7002 0 1
11959 B 93.70601 45.000 49.001 1.0000 0.0000 2.22222E-02 0.6992 0 1
11960 B 93.71299 52.000 48.998 1.0000 0.0000 1.92308E-02 0.7002 0 1
11961 B 93.72000 50.000 48.995 1.0000 0.0000 2.00000E-02 0.7002 0 1
11962 B 93.72699 55.000 48.992 1.0000 0.0000 1.81818E-02 0.7002 0 1
11963 B 93.73400 57.000 48.988 1.0000 0.0000 1.75439E-02 0.7002 0 1
11964 B 93.74100 58.000 48.985 1.0000 0.0000 1.72414E-02 0.6992 0 1
11965 B 93.74799 48.000 48.982 1.0000 0.0000 2.08333E-02 0.7002 0 1
11966 B 93.75500 51.000 48.978 1.0000 0.0000 1.96078E-02 0.7002 0 1
11967 B 93.76199 52.000 48.975 1.0000 0.0000 1.92308E-02 0.7002 0 1
11968 B 93.76900 46.000 48.972 1.0000 0.0000 2.17391E-02 0.7002 0 1
11969 B 93.77601 52.000 48.969 1.0000 0.0000 1.92308E-02 0.6992 0 1
11970 B 93.78299 54.000 48.965 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 212
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
11971 B 93.79000 57.000 48.962 1.0000 0.0000 1.75439E-02 0.7002 0 1
11972 B 93.79699 53.000 48.959 1.0000 0.0000 1.88679E-02 0.7002 0 1
11973 B 93.80400 45.000 48.956 1.0000 0.0000 2.22222E-02 0.7002 0 1
11974 B 93.81100 56.000 48.952 1.0000 0.0000 1.78571E-02 0.6992 0 1
11975 B 93.81799 59.000 48.949 1.0000 0.0000 1.69492E-02 0.7002 0 1
11976 B 93.82500 43.000 48.946 1.0000 0.0000 2.32558E-02 0.7002 0 1
11977 B 93.83199 47.000 48.943 1.0000 0.0000 2.12766E-02 0.7002 0 1
11978 B 93.83900 45.000 48.939 1.0000 0.0000 2.22222E-02 0.7002 0 1
11979 B 93.84601 58.000 48.936 1.0000 0.0000 1.72414E-02 0.6992 0 1
11980 B 93.85299 58.000 48.933 1.0000 0.0000 1.72414E-02 0.7002 0 1
11981 B 93.86000 45.000 48.930 1.0000 0.0000 2.22222E-02 0.7002 0 1
11982 B 93.86699 42.000 48.927 1.0000 0.0000 2.38095E-02 0.7002 0 1
11983 B 93.87400 40.000 48.923 1.0000 0.0000 2.50000E-02 0.7002 0 1
11984 B 93.88100 54.000 48.920 1.0000 0.0000 1.85185E-02 0.6992 0 1
11985 B 93.88799 68.000 48.917 1.0000 0.0000 1.47059E-02 0.7002 0 1
11986 B 93.89500 49.000 48.914 1.0000 0.0000 2.04082E-02 0.7002 0 1
11987 B 93.90199 58.000 48.911 1.0000 0.0000 1.72414E-02 0.7002 0 1
11988 B 93.90900 49.000 48.907 1.0000 0.0000 2.04082E-02 0.7002 0 1
11989 B 93.91601 51.000 48.904 1.0000 0.0000 1.96078E-02 0.6992 0 1
11990 B 93.92299 51.000 48.901 1.0000 0.0000 1.96078E-02 0.7002 0 1
11991 B 93.93000 49.000 48.898 1.0000 0.0000 2.04082E-02 0.7002 0 1
11992 B 93.93699 45.000 48.895 1.0000 0.0000 2.22222E-02 0.7002 0 1
11993 B 93.94400 44.000 48.891 1.0000 0.0000 2.27273E-02 0.7002 0 1
11994 B 93.95100 56.000 48.888 1.0000 0.0000 1.78571E-02 0.6992 0 1
11995 B 93.95798 54.000 48.885 1.0000 0.0000 1.85185E-02 0.7002 0 1
11996 B 93.96500 47.000 48.882 1.0000 0.0000 2.12766E-02 0.7002 0 1
11997 B 93.97199 46.000 48.879 1.0000 0.0000 2.17391E-02 0.7002 0 1
11998 B 93.97900 40.000 48.875 1.0000 0.0000 2.50000E-02 0.7002 0 1
11999 B 93.98601 45.000 48.872 1.0000 0.0000 2.22222E-02 0.6992 0 1
12000 B 93.99299 54.000 48.869 1.0000 0.0000 1.85185E-02 0.7002 0 1
12001 B 94.00000 51.000 48.866 1.0000 0.0000 1.96078E-02 0.7002 0 1
12002 B 94.00699 59.000 48.863 1.0000 0.0000 1.69492E-02 0.7002 0 1
12003 B 94.01401 49.000 48.860 1.0000 0.0000 2.04082E-02 0.7002 0 1
12004 B 94.02100 47.000 48.856 1.0000 0.0000 2.12766E-02 0.6992 0 1
12005 B 94.02798 48.000 48.853 1.0000 0.0000 2.08333E-02 0.7002 0 1
12006 B 94.03500 43.000 48.850 1.0000 0.0000 2.32558E-02 0.7002 0 1
12007 . 94.04199 46.000 49.291 1.0000 0.0000 2.17391E-02 0.7002 59 1
12008 . 94.04900 61.000 49.312 1.0000 0.0000 1.63934E-02 0.7002 59 1
12009 . 94.05601 52.000 49.336 1.0000 0.0000 1.92308E-02 0.6992 59 1
12010 . 94.06299 45.000 49.362 1.0000 0.0000 2.22222E-02 0.7002 59 1
12011 . 94.07000 55.000 49.391 1.0000 0.0000 1.81818E-02 0.7002 59 1
12012 . 94.07700 57.000 49.423 1.0000 0.0000 1.75439E-02 0.7002 59 1
12013 . 94.08401 53.000 49.458 1.0000 0.0000 1.88679E-02 0.7002 59 1
12014 . 94.09100 47.000 49.497 1.0000 0.0000 2.12766E-02 0.6992 59 1
12015 . 94.09799 60.000 49.540 1.0000 0.0000 1.66667E-02 0.7002 59 1
12016 . 94.10500 49.000 49.589 1.0000 0.0000 2.04082E-02 0.7002 59 1
12017 . 94.11199 48.000 49.643 1.0000 0.0000 2.08333E-02 0.7002 59 1
12018 . 94.11900 57.000 49.703 1.0000 0.0000 1.75439E-02 0.7002 59 1
12019 . 94.12601 46.000 49.771 1.0000 0.0000 2.17391E-02 0.6992 59 1
12020 . 94.13299 48.000 49.848 1.0000 0.0000 2.08333E-02 0.7002 59 1
12021 . 94.14000 44.000 49.935 1.0000 0.0000 2.27273E-02 0.7002 59 1
12022 . 94.14700 57.000 50.034 1.0000 0.0000 1.75439E-02 0.7002 59 1
12023 . 94.15401 47.000 50.147 1.0000 0.0000 2.12766E-02 0.7002 59 1
12024 . 94.16100 52.000 50.277 1.0000 0.0000 1.92308E-02 0.6992 59 1
12025 . 94.16799 54.000 50.428 1.0000 0.0000 1.85185E-02 0.7002 59 1
12026 . 94.17500 53.000 50.606 1.0000 0.0000 1.88679E-02 0.7002 59 1
12027 . 94.18199 50.000 50.819 1.0000 0.0000 2.00000E-02 0.7002 59 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 213
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12028 . 94.18900 54.000 51.083 1.0000 0.0000 1.85185E-02 0.7002 59 1
12029 . 94.19601 48.000 51.422 1.0000 0.0000 2.08333E-02 0.6992 59 1
12030 . 94.20299 44.000 51.878 1.0000 0.0000 2.27273E-02 0.7002 59 1
12031 . 94.21000 46.000 52.528 1.0000 0.0000 2.17391E-02 0.7002 59 1
12032 . 94.21700 48.000 53.485 1.0000 0.0000 2.08333E-02 0.7002 59 1
12033 . 94.22401 55.000 54.928 1.0000 0.0000 1.81818E-02 0.7002 59 1
12034 . 94.23100 61.000 57.085 1.0000 0.0000 1.63934E-02 0.6992 59 1
12035 . 94.23799 44.000 60.228 1.0000 0.0000 2.27273E-02 0.7002 59 1
12036 . 94.24500 51.000 64.667 1.0000 0.0000 1.96078E-02 0.7002 59 1
12037 . 94.25199 54.000 70.597 1.0000 0.0000 1.85185E-02 0.7002 59 1
12038 . 94.25900 51.000 78.117 1.0000 0.0000 1.96078E-02 0.7002 59 1
12039 . 94.26601 55.000 87.010 1.0000 0.0000 1.81818E-02 0.6992 59 1
12040 . 94.27299 53.000 96.721 1.0000 0.0000 1.88679E-02 0.7002 59 1
12041 . 94.28000 47.000 106.37 1.0000 0.0000 2.12766E-02 0.7002 59 1
12042 . 94.28699 50.000 114.48 1.0000 0.0000 2.00000E-02 0.7002 59 1
12043 .1 94.29401 48.000 119.45 1.0000 0.0000 2.08333E-02 0.7002 59 1
12044 . 94.30100 44.000 119.93 1.0000 0.0000 2.27273E-02 0.6992 59 1
12045 . 94.30799 48.000 115.83 1.0000 0.0000 2.08333E-02 0.7002 59 1
12046 . 94.31500 51.000 108.20 1.0000 0.0000 1.96078E-02 0.7002 59 1
12047 . 94.32199 51.000 98.764 1.0000 0.0000 1.96078E-02 0.7002 59 1
12048 . 94.32900 52.000 88.936 1.0000 0.0000 1.92308E-02 0.7002 59 1
12049 . 94.33601 52.000 79.807 1.0000 0.0000 1.92308E-02 0.6992 59 1
12050 . 94.34299 69.000 72.001 1.0000 0.0000 1.44928E-02 0.7002 59 1
12051 . 94.35000 51.000 65.947 1.0000 0.0000 1.96078E-02 0.7002 59 2
12052 . 94.35699 63.000 61.229 1.0000 0.0000 1.58730E-02 0.7002 59 2
12053 . 94.36401 44.000 57.838 1.0000 0.0000 2.27273E-02 0.7002 59 2
12054 . 94.37100 39.000 55.510 1.0000 0.0000 2.56410E-02 0.6992 59 2
12055 . 94.37799 49.000 53.957 1.0000 0.0000 2.04082E-02 0.7002 59 2
12056 . 94.38500 57.000 52.925 1.0000 0.0000 1.75439E-02 0.7002 59 2
12057 . 94.39199 48.000 52.237 1.0000 0.0000 2.08333E-02 0.7002 59 2
12058 . 94.39900 45.000 51.763 1.0000 0.0000 2.22222E-02 0.7002 59 2
12059 . 94.40601 55.000 51.422 1.0000 0.0000 1.81818E-02 0.6992 59 2
12060 . 94.41299 54.000 51.168 1.0000 0.0000 1.85185E-02 0.7002 59 2
12061 . 94.42000 54.000 50.969 1.0000 0.0000 1.85185E-02 0.7002 59 2
12062 . 94.42699 41.000 50.812 1.0000 0.0000 2.43902E-02 0.7002 59 2
12063 . 94.43401 60.000 50.687 1.0000 0.0000 1.66667E-02 0.7002 59 2
12064 . 94.44101 54.000 50.588 1.0000 0.0000 1.85185E-02 0.6992 59 2
12065 . 94.44799 53.000 50.513 1.0000 0.0000 1.88679E-02 0.7002 59 2
12066 . 94.45500 59.000 50.460 1.0000 0.0000 1.69492E-02 0.7002 59 2
12067 . 94.46199 57.000 50.426 1.0000 0.0000 1.75439E-02 0.7002 59 2
12068 . 94.46900 44.000 50.412 1.0000 0.0000 2.27273E-02 0.7002 59 2
12069 . 94.47601 56.000 50.419 1.0000 0.0000 1.78571E-02 0.6992 59 2
12070 . 94.48299 54.000 50.448 1.0000 0.0000 1.85185E-02 0.7002 59 2
12071 . 94.49000 61.000 50.504 1.0000 0.0000 1.63934E-02 0.7002 59 2
12072 . 94.49699 56.000 50.596 1.0000 0.0000 1.78571E-02 0.7002 59 2
12073 . 94.50401 53.000 50.738 1.0000 0.0000 1.88679E-02 0.7002 59 2
12074 . 94.51101 53.000 50.958 1.0000 0.0000 1.88679E-02 0.6992 59 2
12075 . 94.51799 53.000 51.298 1.0000 0.0000 1.88679E-02 0.7002 59 2
12076 . 94.52500 57.000 51.830 1.0000 0.0000 1.75439E-02 0.7002 59 2
12077 . 94.53199 55.000 52.649 1.0000 0.0000 1.81818E-02 0.7002 59 2
12078 . 94.53900 48.000 53.886 1.0000 0.0000 2.08333E-02 0.7002 59 2
12079 . 94.54601 64.000 55.681 1.0000 0.0000 1.56250E-02 0.6992 59 2
12080 . 94.55299 57.000 57.711 1.0000 0.0000 1.75439E-02 0.7002 60 1
12081 . 94.56000 55.000 60.999 1.0000 0.0000 1.81818E-02 0.7002 60 1
12082 . 94.56699 59.000 65.036 1.0000 0.0000 1.69492E-02 0.7002 60 1
12083 . 94.57401 53.000 69.682 1.0000 0.0000 1.88679E-02 0.7002 60 1
12084 . 94.58101 50.000 74.571 1.0000 0.0000 2.00000E-02 0.6992 60 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 214
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12085 . 94.58799 44.000 79.132 1.0000 0.0000 2.27273E-02 0.7002 60 1
12086 . 94.59500 50.000 82.626 1.0000 0.0000 2.00000E-02 0.7002 60 1
12087 .1 94.60199 67.000 84.228 1.0000 0.0000 1.49254E-02 0.7002 60 1
12088 . 94.60900 51.000 83.499 1.0000 0.0000 1.96078E-02 0.7002 60 1
12089 . 94.61600 43.000 80.645 1.0000 0.0000 2.32558E-02 0.6992 60 1
12090 . 94.62299 53.000 76.398 1.0000 0.0000 1.88679E-02 0.7002 60 1
12091 . 94.63000 59.000 71.539 1.0000 0.0000 1.69492E-02 0.7002 60 1
12092 . 94.63699 70.000 66.750 1.0000 0.0000 1.42857E-02 0.7002 60 1
12093 . 94.64400 52.000 62.437 1.0000 0.0000 1.92308E-02 0.7002 60 1
12094 . 94.65101 54.000 58.846 1.0000 0.0000 1.85185E-02 0.6992 60 1
12095 . 94.65799 43.000 56.044 1.0000 0.0000 2.32558E-02 0.7002 60 1
12096 . 94.66500 44.000 53.962 1.0000 0.0000 2.27273E-02 0.7002 60 1
12097 . 94.67199 49.000 52.495 1.0000 0.0000 2.04082E-02 0.7002 60 1
12098 . 94.67900 54.000 51.492 1.0000 0.0000 1.85185E-02 0.7002 60 1
12099 . 94.68600 47.000 50.823 1.0000 0.0000 2.12766E-02 0.6992 60 1
12100 . 94.69299 54.000 50.375 1.0000 0.0000 1.85185E-02 0.7002 60 1
12101 . 94.70000 52.000 50.068 1.0000 0.0000 1.92308E-02 0.7002 60 1
12102 . 94.70699 52.000 49.849 1.0000 0.0000 1.92308E-02 0.7002 60 1
12103 . 94.71400 55.000 49.683 1.0000 0.0000 1.81818E-02 0.7002 60 1
12104 . 94.72101 50.000 49.553 1.0000 0.0000 2.00000E-02 0.6992 60 1
12105 . 94.72799 55.000 49.446 1.0000 0.0000 1.81818E-02 0.7002 60 1
12106 . 94.73500 56.000 49.355 1.0000 0.0000 1.78571E-02 0.7002 60 1
12107 . 94.74199 55.000 49.277 1.0000 0.0000 1.81818E-02 0.7002 60 1
12108 . 94.74900 49.000 49.209 1.0000 0.0000 2.04082E-02 0.7002 60 1
12109 . 94.75600 55.000 49.150 1.0000 0.0000 1.81818E-02 0.6992 60 1
12110 . 94.76299 55.000 49.097 1.0000 0.0000 1.81818E-02 0.7002 60 1
12111 . 94.77000 43.000 49.050 1.0000 0.0000 2.32558E-02 0.7002 60 1
12112 . 94.77699 63.000 49.008 1.0000 0.0000 1.58730E-02 0.7002 60 1
12113 . 94.78400 55.000 48.971 1.0000 0.0000 1.81818E-02 0.7002 60 1
12114 . 94.79101 53.000 48.937 1.0000 0.0000 1.88679E-02 0.6992 60 1
12115 . 94.79799 60.000 48.906 1.0000 0.0000 1.66667E-02 0.7002 60 1
12116 . 94.80500 61.000 48.878 1.0000 0.0000 1.63934E-02 0.7002 60 1
12117 . 94.81199 53.000 48.857 1.0000 0.0000 1.88679E-02 0.7002 60 2
12118 . 94.81900 48.000 48.834 1.0000 0.0000 2.08333E-02 0.7002 60 2
12119 . 94.82600 48.000 48.813 1.0000 0.0000 2.08333E-02 0.6992 60 2
12120 . 94.83298 57.000 48.793 1.0000 0.0000 1.75439E-02 0.7002 60 2
12121 . 94.84000 58.000 48.775 1.0000 0.0000 1.72414E-02 0.7002 60 2
12122 . 94.84699 61.000 48.758 1.0000 0.0000 1.63934E-02 0.7002 60 2
12123 . 94.85400 52.000 48.743 1.0000 0.0000 1.92308E-02 0.7002 60 2
12124 . 94.86101 58.000 48.508 1.0000 0.0000 1.72414E-02 0.6992 61 1
12125 . 94.86799 47.000 48.506 1.0000 0.0000 2.12766E-02 0.7002 61 1
12126 . 94.87500 58.000 48.504 1.0000 0.0000 1.72414E-02 0.7002 61 1
12127 . 94.88199 52.000 48.502 1.0000 0.0000 1.92308E-02 0.7002 61 1
12128 . 94.88901 43.000 48.499 1.0000 0.0000 2.32558E-02 0.7002 61 1
12129 . 94.89600 58.000 48.498 1.0000 0.0000 1.72414E-02 0.6992 61 1
12130 . 94.90298 58.000 48.496 1.0000 0.0000 1.72414E-02 0.7002 61 1
12131 . 94.91000 58.000 48.494 1.0000 0.0000 1.72414E-02 0.7002 61 1
12132 . 94.91699 63.000 48.492 1.0000 0.0000 1.58730E-02 0.7002 61 1
12133 . 94.92400 48.000 48.491 1.0000 0.0000 2.08333E-02 0.7002 61 1
12134 . 94.93101 51.000 48.490 1.0000 0.0000 1.96078E-02 0.6992 61 1
12135 . 94.93799 55.000 48.489 1.0000 0.0000 1.81818E-02 0.7002 61 1
12136 . 94.94500 50.000 48.488 1.0000 0.0000 2.00000E-02 0.7002 61 1
12137 . 94.95200 59.000 48.488 1.0000 0.0000 1.69492E-02 0.7002 61 1
12138 . 94.95901 61.000 48.488 1.0000 0.0000 1.63934E-02 0.7002 61 1
12139 . 94.96600 52.000 48.490 1.0000 0.0000 1.92308E-02 0.6992 61 1
12140 . 94.97299 55.000 48.492 1.0000 0.0000 1.81818E-02 0.7002 61 1
12141 . 94.98000 40.000 48.498 1.0000 0.0000 2.50000E-02 0.7002 61 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 215
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12142 . 94.98699 50.000 48.507 1.0000 0.0000 2.00000E-02 0.7002 61 1
12143 . 94.99400 52.000 48.522 1.0000 0.0000 1.92308E-02 0.7002 61 1
12144 . 95.00101 57.000 48.545 1.0000 0.0000 1.75439E-02 0.6992 61 1
12145 . 95.00799 59.000 48.580 1.0000 0.0000 1.69492E-02 0.7002 61 1
12146 . 95.01500 62.000 48.630 1.0000 0.0000 1.61290E-02 0.7002 61 1
12147 . 95.02200 62.000 48.697 1.0000 0.0000 1.61290E-02 0.7002 61 1
12148 . 95.02901 61.000 48.780 1.0000 0.0000 1.63934E-02 0.7002 61 1
12149 . 95.03600 49.000 48.877 1.0000 0.0000 2.04082E-02 0.6992 61 1
12150 . 95.04299 49.000 48.981 1.0000 0.0000 2.04082E-02 0.7002 61 1
12151 . 95.05000 43.000 49.081 1.0000 0.0000 2.32558E-02 0.7002 61 1
12152 . 95.05699 57.000 49.160 1.0000 0.0000 1.75439E-02 0.7002 61 1
12153 .1 95.06400 59.000 49.200 1.0000 0.0000 1.69492E-02 0.7002 61 1
12154 . 95.07101 60.000 49.191 1.0000 0.0000 1.66667E-02 0.6992 61 1
12155 . 95.07799 55.000 49.133 1.0000 0.0000 1.81818E-02 0.7002 61 1
12156 . 95.08500 53.000 49.041 1.0000 0.0000 1.88679E-02 0.7002 61 1
12157 . 95.09200 52.000 48.934 1.0000 0.0000 1.92308E-02 0.7002 61 1
12158 . 95.09901 49.000 48.825 1.0000 0.0000 2.04082E-02 0.7002 61 1
12159 . 95.10600 50.000 48.726 1.0000 0.0000 2.00000E-02 0.6992 61 1
12160 . 95.11299 50.000 48.642 1.0000 0.0000 2.00000E-02 0.7002 61 1
12161 . 95.12000 63.000 48.577 1.0000 0.0000 1.58730E-02 0.7002 61 2
12162 . 95.12699 60.000 48.526 1.0000 0.0000 1.66667E-02 0.7002 61 2
12163 . 95.13400 58.000 48.489 1.0000 0.0000 1.72414E-02 0.7002 61 2
12164 . 95.14101 64.000 48.463 1.0000 0.0000 1.56250E-02 0.6992 61 2
12165 . 95.14799 70.000 48.444 1.0000 0.0000 1.42857E-02 0.7002 61 2
12166 . 95.15500 59.000 48.431 1.0000 0.0000 1.69492E-02 0.7002 61 2
12167 . 95.16199 60.000 48.422 1.0000 0.0000 1.66667E-02 0.7002 61 2
12168 . 95.16901 57.000 48.414 1.0000 0.0000 1.75439E-02 0.7002 61 2
12169 . 95.17600 50.000 48.408 1.0000 0.0000 2.00000E-02 0.6992 61 2
12170 . 95.18299 53.000 48.403 1.0000 0.0000 1.88679E-02 0.7002 61 2
12171 . 95.19000 75.000 48.398 1.0000 0.0000 1.33333E-02 0.7002 61 2
12172 . 95.19699 65.000 48.394 1.0000 0.0000 1.53846E-02 0.7002 61 2
12173 . 95.20400 67.000 48.390 1.0000 0.0000 1.49254E-02 0.7002 61 2
12174 . 95.21101 56.000 48.386 1.0000 0.0000 1.78571E-02 0.6992 61 2
12175 . 95.21799 73.000 48.383 1.0000 0.0000 1.36986E-02 0.7002 61 2
12176 . 95.22500 68.000 48.379 1.0000 0.0000 1.47059E-02 0.7002 61 2
12177 . 95.23199 63.000 48.376 1.0000 0.0000 1.58730E-02 0.7002 61 2
12178 . 95.23901 65.000 48.374 1.0000 0.0000 1.53846E-02 0.7002 61 2
12179 . 95.24600 66.000 48.371 1.0000 0.0000 1.51515E-02 0.6992 61 2
12180 . 95.25299 62.000 48.369 1.0000 0.0000 1.61290E-02 0.7002 61 2
12181 . 95.26000 54.000 48.367 1.0000 0.0000 1.85185E-02 0.7002 61 2
12182 . 95.26699 59.000 48.365 1.0000 0.0000 1.69492E-02 0.7002 61 2
12183 . 95.27400 61.000 48.364 1.0000 0.0000 1.63934E-02 0.7002 61 2
12184 . 95.28101 55.000 48.364 1.0000 0.0000 1.81818E-02 0.6992 61 2
12185 . 95.28799 76.000 48.364 1.0000 0.0000 1.31579E-02 0.7002 61 2
12186 . 95.29500 65.000 48.367 1.0000 0.0000 1.53846E-02 0.7002 61 2
12187 . 95.30199 65.000 48.372 1.0000 0.0000 1.53846E-02 0.7002 61 2
12188 . 95.30901 59.000 48.381 1.0000 0.0000 1.69492E-02 0.7002 61 2
12189 . 95.31601 55.000 48.396 1.0000 0.0000 1.81818E-02 0.6992 61 2
12190 . 95.32299 68.000 48.413 1.0000 0.0000 1.47059E-02 0.7002 62 1
12191 . 95.33000 70.000 48.444 1.0000 0.0000 1.42857E-02 0.7002 62 1
12192 . 95.33699 72.000 48.483 1.0000 0.0000 1.38889E-02 0.7002 62 1
12193 . 95.34400 65.000 48.529 1.0000 0.0000 1.53846E-02 0.7002 62 1
12194 . 95.35101 59.000 48.579 1.0000 0.0000 1.69492E-02 0.6992 62 1
12195 . 95.35799 54.000 48.628 1.0000 0.0000 1.85185E-02 0.7002 62 1
12196 . 95.36500 55.000 48.669 1.0000 0.0000 1.81818E-02 0.7002 62 1
12197 .1 95.37199 55.000 48.692 1.0000 0.0000 1.81818E-02 0.7002 62 1
12198 . 95.37901 60.000 48.690 1.0000 0.0000 1.66667E-02 0.7002 62 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 216
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12199 . 95.38601 58.000 48.664 1.0000 0.0000 1.72414E-02 0.6992 62 1
12200 . 95.39299 62.000 48.620 1.0000 0.0000 1.61290E-02 0.7002 62 1
12201 . 95.40000 59.000 48.566 1.0000 0.0000 1.69492E-02 0.7002 62 1
12202 . 95.40699 63.000 48.511 1.0000 0.0000 1.58730E-02 0.7002 62 1
12203 . 95.41400 59.000 48.459 1.0000 0.0000 1.69492E-02 0.7002 62 1
12204 . 95.42101 65.000 48.414 1.0000 0.0000 1.53846E-02 0.6992 62 1
12205 . 95.42799 62.000 48.378 1.0000 0.0000 1.61290E-02 0.7002 62 1
12206 . 95.43500 64.000 48.350 1.0000 0.0000 1.56250E-02 0.7002 62 1
12207 . 95.44199 69.000 48.329 1.0000 0.0000 1.44928E-02 0.7002 62 1
12208 . 95.44901 62.000 48.314 1.0000 0.0000 1.61290E-02 0.7002 62 1
12209 . 95.45601 59.000 48.303 1.0000 0.0000 1.69492E-02 0.6992 62 1
12210 . 95.46299 58.000 48.294 1.0000 0.0000 1.72414E-02 0.7002 62 1
12211 . 95.47000 64.000 48.288 1.0000 0.0000 1.56250E-02 0.7002 62 1
12212 . 95.47699 56.000 48.283 1.0000 0.0000 1.78571E-02 0.7002 62 1
12213 . 95.48400 63.000 48.278 1.0000 0.0000 1.58730E-02 0.7002 62 1
12214 . 95.49100 62.000 48.274 1.0000 0.0000 1.61290E-02 0.6992 62 1
12215 . 95.49799 72.000 48.270 1.0000 0.0000 1.38889E-02 0.7002 62 1
12216 . 95.50500 59.000 48.267 1.0000 0.0000 1.69492E-02 0.7002 62 1
12217 . 95.51199 56.000 48.263 1.0000 0.0000 1.78571E-02 0.7002 62 1
12218 . 95.51900 56.000 48.260 1.0000 0.0000 1.78571E-02 0.7002 62 1
12219 . 95.52601 70.000 48.257 1.0000 0.0000 1.42857E-02 0.6992 62 1
12220 . 95.53299 55.000 48.254 1.0000 0.0000 1.81818E-02 0.7002 62 1
12221 . 95.54000 63.000 48.251 1.0000 0.0000 1.58730E-02 0.7002 62 1
12222 . 95.54699 67.000 48.248 1.0000 0.0000 1.49254E-02 0.7002 62 1
12223 . 95.55400 62.000 48.245 1.0000 0.0000 1.61290E-02 0.7002 62 1
12224 . 95.56100 63.000 48.242 1.0000 0.0000 1.58730E-02 0.6992 62 1
12225 . 95.56799 67.000 48.240 1.0000 0.0000 1.49254E-02 0.7002 62 1
12226 . 95.57500 67.000 48.237 1.0000 0.0000 1.49254E-02 0.7002 62 1
12227 . 95.58199 79.000 48.234 1.0000 0.0000 1.26582E-02 0.7002 62 1
12228 . 95.58900 71.000 48.231 1.0000 0.0000 1.40845E-02 0.7002 62 1
12229 . 95.59601 54.000 48.229 1.0000 0.0000 1.85185E-02 0.6992 62 1
12230 . 95.60299 71.000 48.226 1.0000 0.0000 1.40845E-02 0.7002 62 1
12231 . 95.61000 67.000 48.223 1.0000 0.0000 1.49254E-02 0.7002 62 1
12232 . 95.61699 61.000 48.221 1.0000 0.0000 1.63934E-02 0.7002 62 1
12233 . 95.62400 65.000 48.218 1.0000 0.0000 1.53846E-02 0.7002 62 1
12234 B 95.63100 64.000 48.213 1.0000 0.0000 1.56250E-02 0.6992 0 1
12235 B 95.63799 72.000 48.211 1.0000 0.0000 1.38889E-02 0.7002 0 1
12236 B 95.64500 67.000 48.208 1.0000 0.0000 1.49254E-02 0.7002 0 1
12237 B 95.65199 70.000 48.206 1.0000 0.0000 1.42857E-02 0.7002 0 1
12238 B 95.65900 64.000 48.203 1.0000 0.0000 1.56250E-02 0.7002 0 1
12239 B 95.66601 68.000 48.201 1.0000 0.0000 1.47059E-02 0.6992 0 1
12240 B 95.67299 74.000 48.198 1.0000 0.0000 1.35135E-02 0.7002 0 1
12241 B 95.68000 72.000 48.196 1.0000 0.0000 1.38889E-02 0.7002 0 1
12242 B 95.68699 66.000 48.194 1.0000 0.0000 1.51515E-02 0.7002 0 1
12243 B 95.69400 62.000 48.191 1.0000 0.0000 1.61290E-02 0.7002 0 1
12244 B 95.70100 73.000 48.189 1.0000 0.0000 1.36986E-02 0.6992 0 1
12245 B 95.70798 61.000 48.186 1.0000 0.0000 1.63934E-02 0.7002 0 1
12246 B 95.71500 66.000 48.184 1.0000 0.0000 1.51515E-02 0.7002 0 1
12247 B 95.72199 78.000 48.182 1.0000 0.0000 1.28205E-02 0.7002 0 1
12248 B 95.72900 60.000 48.179 1.0000 0.0000 1.66667E-02 0.7002 0 1
12249 B 95.73601 66.000 48.177 1.0000 0.0000 1.51515E-02 0.6992 0 1
12250 B 95.74299 61.000 48.174 1.0000 0.0000 1.63934E-02 0.7002 0 1
12251 B 95.75000 59.000 48.172 1.0000 0.0000 1.69492E-02 0.7002 0 1
12252 B 95.75699 73.000 48.170 1.0000 0.0000 1.36986E-02 0.7002 0 1
12253 B 95.76401 68.000 48.167 1.0000 0.0000 1.47059E-02 0.7002 0 1
12254 B 95.77100 67.000 48.165 1.0000 0.0000 1.49254E-02 0.6992 0 1
12255 B 95.77798 72.000 48.162 1.0000 0.0000 1.38889E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 217
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12256 B 95.78500 66.000 48.160 1.0000 0.0000 1.51515E-02 0.7002 0 1
12257 B 95.79199 76.000 48.158 1.0000 0.0000 1.31579E-02 0.7002 0 1
12258 B 95.79900 73.000 48.155 1.0000 0.0000 1.36986E-02 0.7002 0 1
12259 B 95.80601 64.000 48.153 1.0000 0.0000 1.56250E-02 0.6992 0 1
12260 B 95.81299 72.000 48.151 1.0000 0.0000 1.38889E-02 0.7002 0 1
12261 B 95.82000 72.000 48.148 1.0000 0.0000 1.38889E-02 0.7002 0 1
12262 B 95.82700 75.000 48.146 1.0000 0.0000 1.33333E-02 0.7002 0 1
12263 B 95.83401 73.000 48.144 1.0000 0.0000 1.36986E-02 0.7002 0 1
12264 B 95.84100 76.000 48.141 1.0000 0.0000 1.31579E-02 0.6992 0 1
12265 B 95.84799 86.000 48.139 1.0000 0.0000 1.16279E-02 0.7002 0 1
12266 B 95.85500 71.000 48.136 1.0000 0.0000 1.40845E-02 0.7002 0 1
12267 B 95.86199 76.000 48.134 1.0000 0.0000 1.31579E-02 0.7002 0 1
12268 B 95.86900 78.000 48.132 1.0000 0.0000 1.28205E-02 0.7002 0 1
12269 B 95.87601 71.000 48.129 1.0000 0.0000 1.40845E-02 0.6992 0 1
12270 B 95.88299 76.000 48.127 1.0000 0.0000 1.31579E-02 0.7002 0 1
12271 B 95.89000 84.000 48.125 1.0000 0.0000 1.19048E-02 0.7002 0 1
12272 B 95.89700 78.000 48.122 1.0000 0.0000 1.28205E-02 0.7002 0 1
12273 B 95.90401 76.000 48.120 1.0000 0.0000 1.31579E-02 0.7002 0 1
12274 B 95.91100 81.000 48.118 1.0000 0.0000 1.23457E-02 0.6992 0 1
12275 B 95.91799 85.000 48.115 1.0000 0.0000 1.17647E-02 0.7002 0 1
12276 B 95.92500 89.000 48.113 1.0000 0.0000 1.12360E-02 0.7002 0 1
12277 B 95.93199 66.000 48.111 1.0000 0.0000 1.51515E-02 0.7002 0 1
12278 B 95.93900 62.000 48.109 1.0000 0.0000 1.61290E-02 0.7002 0 1
12279 B 95.94601 86.000 48.106 1.0000 0.0000 1.16279E-02 0.6992 0 1
12280 B 95.95299 88.000 48.104 1.0000 0.0000 1.13636E-02 0.7002 0 1
12281 B 95.96000 86.000 48.102 1.0000 0.0000 1.16279E-02 0.7002 0 1
12282 B 95.96700 81.000 48.099 1.0000 0.0000 1.23457E-02 0.7002 0 1
12283 B 95.97401 73.000 48.097 1.0000 0.0000 1.36986E-02 0.7002 0 1
12284 B 95.98100 74.000 48.095 1.0000 0.0000 1.35135E-02 0.6992 0 1
12285 B 95.98799 82.000 48.092 1.0000 0.0000 1.21951E-02 0.7002 0 1
12286 B 95.99500 84.000 48.090 1.0000 0.0000 1.19048E-02 0.7002 0 1
12287 B 96.00199 81.000 48.088 1.0000 0.0000 1.23457E-02 0.7002 0 1
12288 B 96.00900 93.000 48.086 1.0000 0.0000 1.07527E-02 0.7002 0 1
12289 B 96.01601 88.000 48.083 1.0000 0.0000 1.13636E-02 0.6992 0 1
12290 B 96.02299 85.000 48.081 1.0000 0.0000 1.17647E-02 0.7002 0 1
12291 B 96.03000 85.000 48.079 1.0000 0.0000 1.17647E-02 0.7002 0 1
12292 B 96.03699 89.000 48.077 1.0000 0.0000 1.12360E-02 0.7002 0 1
12293 B 96.04401 86.000 48.074 1.0000 0.0000 1.16279E-02 0.7002 0 1
12294 B 96.05100 85.000 48.072 1.0000 0.0000 1.17647E-02 0.6992 0 1
12295 B 96.05799 98.000 48.070 1.0000 0.0000 1.02041E-02 0.7002 0 1
12296 B 96.06500 82.000 48.068 1.0000 0.0000 1.21951E-02 0.7002 0 1
12297 B 96.07199 79.000 48.065 1.0000 0.0000 1.26582E-02 0.7002 0 1
12298 B 96.07900 71.000 48.063 1.0000 0.0000 1.40845E-02 0.7002 0 1
12299 B 96.08601 84.000 48.061 1.0000 0.0000 1.19048E-02 0.6992 0 1
12300 B 96.09299 96.000 48.059 1.0000 0.0000 1.04167E-02 0.7002 0 1
12301 B 96.10000 93.000 48.056 1.0000 0.0000 1.07527E-02 0.7002 0 1
12302 B 96.10699 99.000 48.054 1.0000 0.0000 1.01010E-02 0.7002 0 1
12303 B 96.11401 94.000 48.052 1.0000 0.0000 1.06383E-02 0.7002 0 1
12304 B 96.12100 83.000 48.050 1.0000 0.0000 1.20482E-02 0.6992 0 1
12305 B 96.12799 100.00 48.047 1.0000 0.0000 1.00000E-02 0.7002 0 1
12306 B 96.13500 96.000 48.045 1.0000 0.0000 1.04167E-02 0.7002 0 1
12307 B 96.14199 86.000 48.043 1.0000 0.0000 1.16279E-02 0.7002 0 1
12308 B 96.14900 99.000 48.041 1.0000 0.0000 1.01010E-02 0.7002 0 1
12309 B 96.15601 100.00 48.038 1.0000 0.0000 1.00000E-02 0.6992 0 1
12310 B 96.16299 90.000 48.036 1.0000 0.0000 1.11111E-02 0.7002 0 1
12311 B 96.17000 103.00 48.034 1.0000 0.0000 9.70874E-03 0.7002 0 1
12312 B 96.17699 89.000 48.032 1.0000 0.0000 1.12360E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 218
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12313 B 96.18401 102.00 48.030 1.0000 0.0000 9.80392E-03 0.7002 0 1
12314 B 96.19101 91.000 48.027 1.0000 0.0000 1.09890E-02 0.6992 0 1
12315 B 96.19799 95.000 48.025 1.0000 0.0000 1.05263E-02 0.7002 0 1
12316 B 96.20500 101.00 48.023 1.0000 0.0000 9.90099E-03 0.7002 0 1
12317 B 96.21199 97.000 48.021 1.0000 0.0000 1.03093E-02 0.7002 0 1
12318 B 96.21900 89.000 48.019 1.0000 0.0000 1.12360E-02 0.7002 0 1
12319 B 96.22601 89.000 48.016 1.0000 0.0000 1.12360E-02 0.6992 0 1
12320 B 96.23299 96.000 48.014 1.0000 0.0000 1.04167E-02 0.7002 0 1
12321 B 96.24000 91.000 48.012 1.0000 0.0000 1.09890E-02 0.7002 0 1
12322 B 96.24699 91.000 48.010 1.0000 0.0000 1.09890E-02 0.7002 0 1
12323 B 96.25401 88.000 48.008 1.0000 0.0000 1.13636E-02 0.7002 0 1
12324 B 96.26101 104.00 48.006 1.0000 0.0000 9.61538E-03 0.6992 0 1
12325 B 96.26799 104.00 48.003 1.0000 0.0000 9.61538E-03 0.7002 0 1
12326 B 96.27500 96.000 48.001 1.0000 0.0000 1.04167E-02 0.7002 0 1
12327 B 96.28199 103.00 47.999 1.0000 0.0000 9.70874E-03 0.7002 0 1
12328 B 96.28900 102.00 47.997 1.0000 0.0000 9.80392E-03 0.7002 0 1
12329 B 96.29601 107.00 47.995 1.0000 0.0000 9.34579E-03 0.6992 0 1
12330 B 96.30299 117.00 47.993 1.0000 0.0000 8.54701E-03 0.7002 0 1
12331 B 96.31000 117.00 47.991 1.0000 0.0000 8.54701E-03 0.7002 0 1
12332 B 96.31699 104.00 47.988 1.0000 0.0000 9.61538E-03 0.7002 0 1
12333 B 96.32401 104.00 47.986 1.0000 0.0000 9.61538E-03 0.7002 0 1
12334 B 96.33101 104.00 47.984 1.0000 0.0000 9.61538E-03 0.6992 0 1
12335 B 96.33799 108.00 47.982 1.0000 0.0000 9.25926E-03 0.7002 0 1
12336 B 96.34500 117.00 47.980 1.0000 0.0000 8.54701E-03 0.7002 0 1
12337 B 96.35199 115.00 47.978 1.0000 0.0000 8.69565E-03 0.7002 0 1
12338 B 96.35900 131.00 47.976 1.0000 0.0000 7.63359E-03 0.7002 0 1
12339 B 96.36600 123.00 47.973 1.0000 0.0000 8.13008E-03 0.6992 0 1
12340 B 96.37299 111.00 47.971 1.0000 0.0000 9.00901E-03 0.7002 0 1
12341 B 96.38000 102.00 47.969 1.0000 0.0000 9.80392E-03 0.7002 0 1
12342 B 96.38699 102.00 47.967 1.0000 0.0000 9.80392E-03 0.7002 0 1
12343 B 96.39400 95.000 47.965 1.0000 0.0000 1.05263E-02 0.7002 0 1
12344 B 96.40101 98.000 47.963 1.0000 0.0000 1.02041E-02 0.6992 0 1
12345 B 96.40799 111.00 47.961 1.0000 0.0000 9.00901E-03 0.7002 0 1
12346 B 96.41500 100.00 47.959 1.0000 0.0000 1.00000E-02 0.7002 0 1
12347 B 96.42199 109.00 47.957 1.0000 0.0000 9.17431E-03 0.7002 0 1
12348 B 96.42900 114.00 47.955 1.0000 0.0000 8.77193E-03 0.7002 0 1
12349 B 96.43600 115.00 47.952 1.0000 0.0000 8.69565E-03 0.6992 0 1
12350 B 96.44299 105.00 47.950 1.0000 0.0000 9.52381E-03 0.7002 0 1
12351 B 96.45000 120.00 47.948 1.0000 0.0000 8.33333E-03 0.7002 0 1
12352 B 96.45699 96.000 47.946 1.0000 0.0000 1.04167E-02 0.7002 0 1
12353 B 96.46400 118.00 47.944 1.0000 0.0000 8.47458E-03 0.7002 0 1
12354 B 96.47101 118.00 47.942 1.0000 0.0000 8.47458E-03 0.6992 0 1
12355 B 96.47799 122.00 47.940 1.0000 0.0000 8.19672E-03 0.7002 0 1
12356 B 96.48500 92.000 47.938 1.0000 0.0000 1.08696E-02 0.7002 0 1
12357 B 96.49199 113.00 47.936 1.0000 0.0000 8.84956E-03 0.7002 0 1
12358 B 96.49900 123.00 47.934 1.0000 0.0000 8.13008E-03 0.7002 0 1
12359 B 96.50600 113.00 47.932 1.0000 0.0000 8.84956E-03 0.6992 0 1
12360 B 96.51299 108.00 47.930 1.0000 0.0000 9.25926E-03 0.7002 0 1
12361 B 96.52000 105.00 47.928 1.0000 0.0000 9.52381E-03 0.7002 0 1
12362 B 96.52699 107.00 47.926 1.0000 0.0000 9.34579E-03 0.7002 0 1
12363 B 96.53400 110.00 47.923 1.0000 0.0000 9.09091E-03 0.7002 0 1
12364 B 96.54101 117.00 47.921 1.0000 0.0000 8.54701E-03 0.6992 0 1
12365 B 96.54799 121.00 47.919 1.0000 0.0000 8.26446E-03 0.7002 0 1
12366 B 96.55500 120.00 47.917 1.0000 0.0000 8.33333E-03 0.7002 0 1
12367 B 96.56199 116.00 47.915 1.0000 0.0000 8.62069E-03 0.7002 0 1
12368 B 96.56900 124.00 47.913 1.0000 0.0000 8.06452E-03 0.7002 0 1
12369 B 96.57600 111.00 47.911 1.0000 0.0000 9.00901E-03 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 219
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12370 B 96.58298 109.00 47.909 1.0000 0.0000 9.17431E-03 0.7002 0 1
12371 B 96.59000 110.00 47.907 1.0000 0.0000 9.09091E-03 0.7002 0 1
12372 B 96.59699 112.00 47.905 1.0000 0.0000 8.92857E-03 0.7002 0 1
12373 B 96.60400 112.00 47.903 1.0000 0.0000 8.92857E-03 0.7002 0 1
12374 B 96.61101 107.00 47.901 1.0000 0.0000 9.34579E-03 0.6992 0 1
12375 B 96.61799 115.00 47.899 1.0000 0.0000 8.69565E-03 0.7002 0 1
12376 B 96.62500 116.00 47.897 1.0000 0.0000 8.62069E-03 0.7002 0 1
12377 B 96.63199 113.00 47.895 1.0000 0.0000 8.84956E-03 0.7002 0 1
12378 B 96.63901 127.00 47.893 1.0000 0.0000 7.87402E-03 0.7002 0 1
12379 B 96.64600 114.00 47.891 1.0000 0.0000 8.77193E-03 0.6992 0 1
12380 B 96.65298 117.00 47.889 1.0000 0.0000 8.54701E-03 0.7002 0 1
12381 B 96.66000 117.00 47.887 1.0000 0.0000 8.54701E-03 0.7002 0 1
12382 B 96.66699 107.00 47.885 1.0000 0.0000 9.34579E-03 0.7002 0 1
12383 B 96.67400 121.00 47.883 1.0000 0.0000 8.26446E-03 0.7002 0 1
12384 B 96.68101 117.00 47.881 1.0000 0.0000 8.54701E-03 0.6992 0 1
12385 B 96.68799 121.00 47.879 1.0000 0.0000 8.26446E-03 0.7002 0 1
12386 B 96.69500 114.00 47.877 1.0000 0.0000 8.77193E-03 0.7002 0 1
12387 B 96.70200 129.00 47.875 1.0000 0.0000 7.75194E-03 0.7002 0 1
12388 B 96.70901 120.00 47.873 1.0000 0.0000 8.33333E-03 0.7002 0 1
12389 B 96.71600 115.00 47.871 1.0000 0.0000 8.69565E-03 0.6992 0 1
12390 B 96.72299 105.00 47.869 1.0000 0.0000 9.52381E-03 0.7002 0 1
12391 B 96.73000 104.00 47.867 1.0000 0.0000 9.61538E-03 0.7002 0 1
12392 B 96.73699 105.00 47.865 1.0000 0.0000 9.52381E-03 0.7002 0 1
12393 B 96.74400 117.00 47.863 1.0000 0.0000 8.54701E-03 0.7002 0 1
12394 B 96.75101 120.00 47.861 1.0000 0.0000 8.33333E-03 0.6992 0 1
12395 B 96.75799 112.00 47.860 1.0000 0.0000 8.92857E-03 0.7002 0 1
12396 B 96.76500 114.00 47.858 1.0000 0.0000 8.77193E-03 0.7002 0 1
12397 B 96.77200 112.00 47.856 1.0000 0.0000 8.92857E-03 0.7002 0 1
12398 B 96.77901 121.00 47.854 1.0000 0.0000 8.26446E-03 0.7002 0 1
12399 B 96.78600 127.00 47.852 1.0000 0.0000 7.87402E-03 0.6992 0 1
12400 B 96.79299 93.000 47.850 1.0000 0.0000 1.07527E-02 0.7002 0 1
12401 B 96.80000 90.000 47.848 1.0000 0.0000 1.11111E-02 0.7002 0 1
12402 B 96.80699 123.00 47.846 1.0000 0.0000 8.13008E-03 0.7002 0 1
12403 B 96.81400 112.00 47.844 1.0000 0.0000 8.92857E-03 0.7002 0 1
12404 . 96.82101 114.00 48.030 1.0000 0.0000 8.77193E-03 0.6992 63 1
12405 . 96.82799 103.00 48.039 1.0000 0.0000 9.70874E-03 0.7002 63 1
12406 . 96.83500 120.00 48.048 1.0000 0.0000 8.33333E-03 0.7002 63 1
12407 . 96.84200 111.00 48.058 1.0000 0.0000 9.00901E-03 0.7002 63 1
12408 . 96.84901 108.00 48.070 1.0000 0.0000 9.25926E-03 0.7002 63 1
12409 . 96.85600 115.00 48.083 1.0000 0.0000 8.69565E-03 0.6992 63 1
12410 . 96.86299 117.00 48.097 1.0000 0.0000 8.54701E-03 0.7002 63 1
12411 . 96.87000 109.00 48.113 1.0000 0.0000 9.17431E-03 0.7002 63 1
12412 . 96.87699 100.00 48.130 1.0000 0.0000 1.00000E-02 0.7002 63 1
12413 . 96.88400 105.00 48.150 1.0000 0.0000 9.52381E-03 0.7002 63 1
12414 . 96.89101 112.00 48.172 1.0000 0.0000 8.92857E-03 0.6992 63 1
12415 . 96.89799 98.000 48.196 1.0000 0.0000 1.02041E-02 0.7002 63 1
12416 . 96.90500 110.00 48.224 1.0000 0.0000 9.09091E-03 0.7002 63 1
12417 . 96.91199 129.00 48.255 1.0000 0.0000 7.75194E-03 0.7002 63 1
12418 . 96.91901 113.00 48.291 1.0000 0.0000 8.84956E-03 0.7002 63 1
12419 . 96.92600 93.000 48.331 1.0000 0.0000 1.07527E-02 0.6992 63 1
12420 . 96.93299 102.00 48.378 1.0000 0.0000 9.80392E-03 0.7002 63 1
12421 . 96.94000 102.00 48.431 1.0000 0.0000 9.80392E-03 0.7002 63 1
12422 . 96.94699 109.00 48.493 1.0000 0.0000 9.17431E-03 0.7002 63 1
12423 . 96.95400 90.000 48.566 1.0000 0.0000 1.11111E-02 0.7002 63 1
12424 . 96.96101 91.000 48.851 1.0000 0.0000 1.09890E-02 0.6992 63 2
12425 . 96.96799 94.000 48.970 1.0000 0.0000 1.06383E-02 0.7002 63 2
12426 . 96.97500 100.00 49.120 1.0000 0.0000 1.00000E-02 0.7002 63 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 220
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12427 . 96.98199 109.00 49.319 1.0000 0.0000 9.17431E-03 0.7002 63 2
12428 . 96.98901 100.00 49.595 1.0000 0.0000 1.00000E-02 0.7002 63 2
12429 . 96.99600 99.000 49.993 1.0000 0.0000 1.01010E-02 0.6992 63 2
12430 . 97.00299 103.00 50.577 1.0000 0.0000 9.70874E-03 0.7002 63 2
12431 . 97.01000 93.000 51.441 1.0000 0.0000 1.07527E-02 0.7002 63 2
12432 . 97.01699 98.000 52.685 1.0000 0.0000 1.02041E-02 0.7002 63 2
12433 . 97.02400 92.000 54.429 1.0000 0.0000 1.08696E-02 0.7002 63 2
12434 . 97.03101 105.00 56.754 1.0000 0.0000 9.52381E-03 0.6992 63 2
12435 . 97.03799 95.000 59.690 1.0000 0.0000 1.05263E-02 0.7002 63 2
12436 . 97.04500 108.00 63.201 1.0000 0.0000 9.25926E-03 0.7002 63 2
12437 . 97.05199 94.000 67.080 1.0000 0.0000 1.06383E-02 0.7002 63 2
12438 . 97.05901 91.000 71.013 1.0000 0.0000 1.09890E-02 0.7002 63 2
12439 . 97.06601 100.00 74.472 1.0000 0.0000 1.00000E-02 0.6992 63 2
12440 .1 97.07299 103.00 76.824 1.0000 0.0000 9.70874E-03 0.7002 63 2
12441 . 97.08000 106.00 77.521 1.0000 0.0000 9.43396E-03 0.7002 63 2
12442 . 97.08699 106.00 76.378 1.0000 0.0000 9.43396E-03 0.7002 63 2
12443 . 97.09400 102.00 73.726 1.0000 0.0000 9.80392E-03 0.7002 63 2
12444 . 97.10101 102.00 70.201 1.0000 0.0000 9.80392E-03 0.6992 63 2
12445 . 97.10799 96.000 66.426 1.0000 0.0000 1.04167E-02 0.7002 63 2
12446 . 97.11500 90.000 62.846 1.0000 0.0000 1.11111E-02 0.7002 63 2
12447 . 97.12199 91.000 59.801 1.0000 0.0000 1.09890E-02 0.7002 63 2
12448 . 97.12901 92.000 57.456 1.0000 0.0000 1.08696E-02 0.7002 63 2
12449 . 97.13601 93.000 55.912 1.0000 0.0000 1.07527E-02 0.6992 63 2
12450 . 97.14299 99.000 55.292 1.0000 0.0000 1.01010E-02 0.7002 63 3
12451 . 97.15000 95.000 55.415 1.0000 0.0000 1.05263E-02 0.7002 63 3
12452 . 97.15699 93.000 56.369 1.0000 0.0000 1.07527E-02 0.7002 63 3
12453 . 97.16400 101.00 58.149 1.0000 0.0000 9.90099E-03 0.7002 63 3
12454 . 97.17101 101.00 60.703 1.0000 0.0000 9.90099E-03 0.6992 63 3
12455 . 97.17799 84.000 63.913 1.0000 0.0000 1.19048E-02 0.7002 63 3
12456 . 97.18500 80.000 67.584 1.0000 0.0000 1.25000E-02 0.7002 63 3
12457 . 97.19199 90.000 71.337 1.0000 0.0000 1.11111E-02 0.7002 63 3
12458 . 97.19901 94.000 74.678 1.0000 0.0000 1.06383E-02 0.7002 63 3
12459 .1 97.20601 98.000 76.951 1.0000 0.0000 1.02041E-02 0.6992 63 3
12460 . 97.21299 106.00 77.588 1.0000 0.0000 9.43396E-03 0.7002 63 3
12461 . 97.22000 79.000 76.392 1.0000 0.0000 1.26582E-02 0.7002 63 3
12462 . 97.22699 83.000 73.679 1.0000 0.0000 1.20482E-02 0.7002 63 3
12463 . 97.23400 88.000 70.046 1.0000 0.0000 1.13636E-02 0.7002 63 3
12464 . 97.24100 91.000 66.115 1.0000 0.0000 1.09890E-02 0.6992 63 3
12465 . 97.24799 88.000 62.351 1.0000 0.0000 1.13636E-02 0.7002 63 3
12466 . 97.25500 85.000 59.018 1.0000 0.0000 1.17647E-02 0.7002 63 3
12467 . 97.26199 99.000 56.399 1.0000 0.0000 1.01010E-02 0.7002 63 4
12468 . 97.26900 98.000 54.283 1.0000 0.0000 1.02041E-02 0.7002 63 4
12469 . 97.27601 85.000 52.833 1.0000 0.0000 1.17647E-02 0.6992 63 5
12470 . 97.28299 91.000 51.767 1.0000 0.0000 1.09890E-02 0.7002 63 5
12471 . 97.29000 94.000 51.060 1.0000 0.0000 1.06383E-02 0.7002 63 5
12472 . 97.29699 86.000 50.623 1.0000 0.0000 1.16279E-02 0.7002 63 5
12473 . 97.30400 78.000 50.379 1.0000 0.0000 1.28205E-02 0.7002 63 5
12474 . 97.31100 94.000 50.287 1.0000 0.0000 1.06383E-02 0.6992 63 5
12475 . 97.31799 85.000 50.332 1.0000 0.0000 1.17647E-02 0.7002 63 5
12476 . 97.32500 85.000 50.524 1.0000 0.0000 1.17647E-02 0.7002 63 5
12477 . 97.33199 84.000 50.699 1.0000 0.0000 1.19048E-02 0.7002 64 4
12478 . 97.33900 91.000 51.306 1.0000 0.0000 1.09890E-02 0.7002 64 4
12479 . 97.34601 73.000 52.185 1.0000 0.0000 1.36986E-02 0.6992 64 4
12480 . 97.35299 78.000 53.370 1.0000 0.0000 1.28205E-02 0.7002 64 4
12481 . 97.36000 78.000 54.876 1.0000 0.0000 1.28205E-02 0.7002 64 4
12482 . 97.36699 84.000 56.652 1.0000 0.0000 1.19048E-02 0.7002 64 4
12483 . 97.37400 106.00 58.599 1.0000 0.0000 9.43396E-03 0.7002 64 4
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 221
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12484 . 97.38100 78.000 60.523 1.0000 0.0000 1.28205E-02 0.6992 64 4
12485 . 97.38799 88.000 62.154 1.0000 0.0000 1.13636E-02 0.7002 64 4
12486 .1 97.39500 85.000 63.183 1.0000 0.0000 1.17647E-02 0.7002 64 4
12487 . 97.40199 72.000 63.357 1.0000 0.0000 1.38889E-02 0.7002 64 4
12488 . 97.40900 81.000 62.652 1.0000 0.0000 1.23457E-02 0.7002 64 4
12489 . 97.41601 83.000 61.288 1.0000 0.0000 1.20482E-02 0.6992 64 4
12490 . 97.42299 89.000 59.604 1.0000 0.0000 1.12360E-02 0.7002 64 4
12491 . 97.43000 71.000 57.902 1.0000 0.0000 1.40845E-02 0.7002 64 4
12492 . 97.43699 81.000 56.445 1.0000 0.0000 1.23457E-02 0.7002 64 4
12493 . 97.44400 73.000 55.411 1.0000 0.0000 1.36986E-02 0.7002 64 4
12494 . 97.45100 79.000 54.943 1.0000 0.0000 1.26582E-02 0.6992 64 4
12495 . 97.45798 73.000 55.137 1.0000 0.0000 1.36986E-02 0.7002 64 4
12496 . 97.46500 88.000 55.871 1.0000 0.0000 1.13636E-02 0.7002 65 3
12497 . 97.47199 88.000 57.576 1.0000 0.0000 1.13636E-02 0.7002 65 3
12498 . 97.47900 85.000 60.040 1.0000 0.0000 1.17647E-02 0.7002 65 3
12499 . 97.48601 78.000 63.171 1.0000 0.0000 1.28205E-02 0.6992 65 3
12500 . 97.49299 82.000 66.771 1.0000 0.0000 1.21951E-02 0.7002 65 3
12501 . 97.50000 82.000 70.547 1.0000 0.0000 1.21951E-02 0.7002 65 3
12502 . 97.50699 81.000 74.006 1.0000 0.0000 1.23457E-02 0.7002 65 3
12503 .1 97.51401 82.000 76.619 1.0000 0.0000 1.21951E-02 0.7002 65 3
12504 . 97.52100 84.000 77.904 1.0000 0.0000 1.19048E-02 0.6992 65 3
12505 .1 97.52798 70.000 77.639 1.0000 0.0000 1.42857E-02 0.7002 65 3
12506 . 97.53500 67.000 75.870 1.0000 0.0000 1.49254E-02 0.7002 65 3
12507 . 97.54199 82.000 72.907 1.0000 0.0000 1.21951E-02 0.7002 65 3
12508 . 97.54900 87.000 69.217 1.0000 0.0000 1.14943E-02 0.7002 65 3
12509 . 97.55601 82.000 65.324 1.0000 0.0000 1.21951E-02 0.6992 65 3
12510 . 97.56299 75.000 61.641 1.0000 0.0000 1.33333E-02 0.7002 65 3
12511 . 97.57000 74.000 58.396 1.0000 0.0000 1.35135E-02 0.7002 65 3
12512 . 97.57700 86.000 55.732 1.0000 0.0000 1.16279E-02 0.7002 65 3
12513 . 97.58401 76.000 53.705 1.0000 0.0000 1.31579E-02 0.7002 65 4
12514 . 97.59100 82.000 52.157 1.0000 0.0000 1.21951E-02 0.6992 65 4
12515 . 97.59799 82.000 51.052 1.0000 0.0000 1.21951E-02 0.7002 65 4
12516 . 97.60500 90.000 50.279 1.0000 0.0000 1.11111E-02 0.7002 65 4
12517 . 97.61199 91.000 49.751 1.0000 0.0000 1.09890E-02 0.7002 65 4
12518 . 97.61900 73.000 49.388 1.0000 0.0000 1.36986E-02 0.7002 65 4
12519 . 97.62601 76.000 49.134 1.0000 0.0000 1.31579E-02 0.6992 65 4
12520 . 97.63299 95.000 48.951 1.0000 0.0000 1.05263E-02 0.7002 65 4
12521 . 97.64000 88.000 48.812 1.0000 0.0000 1.13636E-02 0.7002 65 4
12522 . 97.64700 84.000 48.704 1.0000 0.0000 1.19048E-02 0.7002 65 4
12523 . 97.65401 71.000 48.519 1.0000 0.0000 1.40845E-02 0.7002 66 3
12524 . 97.66100 87.000 48.451 1.0000 0.0000 1.14943E-02 0.6992 66 3
12525 . 97.66799 78.000 48.395 1.0000 0.0000 1.28205E-02 0.7002 66 3
12526 . 97.67500 79.000 48.349 1.0000 0.0000 1.26582E-02 0.7002 66 3
12527 . 97.68199 73.000 48.310 1.0000 0.0000 1.36986E-02 0.7002 66 3
12528 . 97.68900 84.000 48.280 1.0000 0.0000 1.19048E-02 0.7002 66 3
12529 . 97.69601 69.000 48.256 1.0000 0.0000 1.44928E-02 0.6992 66 3
12530 . 97.70299 71.000 48.238 1.0000 0.0000 1.40845E-02 0.7002 66 3
12531 . 97.71000 80.000 48.227 1.0000 0.0000 1.25000E-02 0.7002 66 3
12532 . 97.71700 82.000 48.222 1.0000 0.0000 1.21951E-02 0.7002 66 3
12533 . 97.72401 88.000 48.226 1.0000 0.0000 1.13636E-02 0.7002 66 3
12534 . 97.73100 81.000 48.239 1.0000 0.0000 1.23457E-02 0.6992 66 3
12535 . 97.73799 78.000 48.266 1.0000 0.0000 1.28205E-02 0.7002 66 3
12536 . 97.74500 77.000 48.312 1.0000 0.0000 1.29870E-02 0.7002 66 3
12537 . 97.75199 87.000 48.389 1.0000 0.0000 1.14943E-02 0.7002 66 3
12538 . 97.75900 77.000 48.512 1.0000 0.0000 1.29870E-02 0.7002 66 3
12539 . 97.76601 86.000 48.704 1.0000 0.0000 1.16279E-02 0.6992 66 3
12540 . 97.77299 82.000 48.881 1.0000 0.0000 1.21951E-02 0.7002 67 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 222
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12541 . 97.78000 84.000 49.305 1.0000 0.0000 1.19048E-02 0.7002 67 2
12542 . 97.78699 77.000 49.789 1.0000 0.0000 1.29870E-02 0.7002 68 1
12543 . 97.79401 79.000 50.555 1.0000 0.0000 1.26582E-02 0.7002 68 1
12544 . 97.80100 76.000 51.492 1.0000 0.0000 1.31579E-02 0.6992 68 1
12545 . 97.80799 81.000 52.565 1.0000 0.0000 1.23457E-02 0.7002 68 1
12546 . 97.81500 83.000 53.706 1.0000 0.0000 1.20482E-02 0.7002 68 1
12547 . 97.82199 85.000 54.785 1.0000 0.0000 1.17647E-02 0.7002 68 1
12548 . 97.82900 72.000 55.637 1.0000 0.0000 1.38889E-02 0.7002 68 1
12549 .1 97.83601 63.000 56.076 1.0000 0.0000 1.58730E-02 0.6992 68 1
12550 . 97.84299 74.000 55.985 1.0000 0.0000 1.35135E-02 0.7002 68 1
12551 . 97.85000 78.000 55.389 1.0000 0.0000 1.28205E-02 0.7002 68 1
12552 . 97.85699 63.000 54.441 1.0000 0.0000 1.58730E-02 0.7002 68 1
12553 . 97.86401 83.000 53.320 1.0000 0.0000 1.20482E-02 0.7002 68 1
12554 . 97.87100 84.000 52.187 1.0000 0.0000 1.19048E-02 0.6992 68 1
12555 . 97.87799 77.000 51.150 1.0000 0.0000 1.29870E-02 0.7002 68 1
12556 . 97.88500 78.000 50.264 1.0000 0.0000 1.28205E-02 0.7002 68 1
12557 . 97.89199 83.000 49.556 1.0000 0.0000 1.20482E-02 0.7002 68 1
12558 . 97.89900 76.000 49.019 1.0000 0.0000 1.31579E-02 0.7002 68 1
12559 . 97.90601 69.000 48.632 1.0000 0.0000 1.44928E-02 0.6992 68 1
12560 . 97.91299 74.000 48.363 1.0000 0.0000 1.35135E-02 0.7002 68 1
12561 . 97.92000 64.000 48.179 1.0000 0.0000 1.56250E-02 0.7002 68 1
12562 . 97.92699 58.000 48.055 1.0000 0.0000 1.72414E-02 0.7002 68 1
12563 . 97.93401 66.000 47.970 1.0000 0.0000 1.51515E-02 0.7002 68 1
12564 . 97.94101 73.000 47.909 1.0000 0.0000 1.36986E-02 0.6992 68 1
12565 . 97.94799 73.000 47.864 1.0000 0.0000 1.36986E-02 0.7002 68 1
12566 . 97.95500 76.000 47.829 1.0000 0.0000 1.31579E-02 0.7002 68 1
12567 . 97.96199 65.000 47.800 1.0000 0.0000 1.53846E-02 0.7002 68 1
12568 . 97.96900 63.000 47.775 1.0000 0.0000 1.58730E-02 0.7002 68 1
12569 . 97.97601 74.000 47.755 1.0000 0.0000 1.35135E-02 0.6992 68 1
12570 . 97.98299 60.000 47.736 1.0000 0.0000 1.66667E-02 0.7002 68 1
12571 . 97.99000 83.000 47.720 1.0000 0.0000 1.20482E-02 0.7002 68 1
12572 . 97.99699 79.000 47.706 1.0000 0.0000 1.26582E-02 0.7002 68 1
12573 . 98.00401 66.000 47.693 1.0000 0.0000 1.51515E-02 0.7002 68 1
12574 . 98.01101 72.000 47.682 1.0000 0.0000 1.38889E-02 0.6992 68 1
12575 . 98.01799 72.000 47.671 1.0000 0.0000 1.38889E-02 0.7002 68 1
12576 . 98.02500 71.000 47.662 1.0000 0.0000 1.40845E-02 0.7002 68 1
12577 . 98.03199 73.000 47.653 1.0000 0.0000 1.36986E-02 0.7002 68 1
12578 . 98.03900 78.000 47.646 1.0000 0.0000 1.28205E-02 0.7002 68 1
12579 . 98.04601 79.000 47.638 1.0000 0.0000 1.26582E-02 0.6992 68 1
12580 . 98.05299 69.000 47.632 1.0000 0.0000 1.44928E-02 0.7002 68 1
12581 . 98.06000 84.000 47.625 1.0000 0.0000 1.19048E-02 0.7002 68 1
12582 . 98.06699 72.000 47.620 1.0000 0.0000 1.38889E-02 0.7002 68 1
12583 . 98.07401 69.000 47.614 1.0000 0.0000 1.44928E-02 0.7002 68 1
12584 . 98.08101 69.000 47.609 1.0000 0.0000 1.44928E-02 0.6992 68 1
12585 . 98.08799 71.000 47.604 1.0000 0.0000 1.40845E-02 0.7002 68 1
12586 B 98.09500 71.000 47.543 1.0000 0.0000 1.40845E-02 0.7002 0 1
12587 B 98.10199 72.000 47.542 1.0000 0.0000 1.38889E-02 0.7002 0 1
12588 B 98.10900 77.000 47.541 1.0000 0.0000 1.29870E-02 0.7002 0 1
12589 B 98.11600 67.000 47.539 1.0000 0.0000 1.49254E-02 0.6992 0 1
12590 B 98.12299 72.000 47.538 1.0000 0.0000 1.38889E-02 0.7002 0 1
12591 B 98.13000 70.000 47.537 1.0000 0.0000 1.42857E-02 0.7002 0 1
12592 B 98.13699 67.000 47.535 1.0000 0.0000 1.49254E-02 0.7002 0 1
12593 B 98.14400 70.000 47.534 1.0000 0.0000 1.42857E-02 0.7002 0 1
12594 B 98.15101 70.000 47.533 1.0000 0.0000 1.42857E-02 0.6992 0 1
12595 B 98.15799 70.000 47.531 1.0000 0.0000 1.42857E-02 0.7002 0 1
12596 B 98.16500 73.000 47.530 1.0000 0.0000 1.36986E-02 0.7002 0 1
12597 B 98.17199 78.000 47.529 1.0000 0.0000 1.28205E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 223
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12598 B 98.17900 74.000 47.527 1.0000 0.0000 1.35135E-02 0.7002 0 1
12599 B 98.18600 67.000 47.526 1.0000 0.0000 1.49254E-02 0.6992 0 1
12600 B 98.19299 62.000 47.525 1.0000 0.0000 1.61290E-02 0.7002 0 1
12601 B 98.20000 56.000 47.523 1.0000 0.0000 1.78571E-02 0.7002 0 1
12602 B 98.20699 75.000 47.522 1.0000 0.0000 1.33333E-02 0.7002 0 1
12603 B 98.21400 77.000 47.521 1.0000 0.0000 1.29870E-02 0.7002 0 1
12604 B 98.22101 77.000 47.519 1.0000 0.0000 1.29870E-02 0.6992 0 1
12605 B 98.22799 77.000 47.518 1.0000 0.0000 1.29870E-02 0.7002 0 1
12606 B 98.23500 74.000 47.517 1.0000 0.0000 1.35135E-02 0.7002 0 1
12607 B 98.24199 64.000 47.516 1.0000 0.0000 1.56250E-02 0.7002 0 1
12608 B 98.24900 63.000 47.514 1.0000 0.0000 1.58730E-02 0.7002 0 1
12609 B 98.25600 63.000 47.513 1.0000 0.0000 1.58730E-02 0.6992 0 1
12610 B 98.26299 66.000 47.512 1.0000 0.0000 1.51515E-02 0.7002 0 1
12611 B 98.27000 79.000 47.510 1.0000 0.0000 1.26582E-02 0.7002 0 1
12612 B 98.27699 73.000 47.509 1.0000 0.0000 1.36986E-02 0.7002 0 1
12613 B 98.28400 67.000 47.508 1.0000 0.0000 1.49254E-02 0.7002 0 1
12614 B 98.29101 64.000 47.507 1.0000 0.0000 1.56250E-02 0.6992 0 1
12615 B 98.29799 65.000 47.505 1.0000 0.0000 1.53846E-02 0.7002 0 1
12616 B 98.30500 72.000 47.504 1.0000 0.0000 1.38889E-02 0.7002 0 1
12617 B 98.31199 71.000 47.503 1.0000 0.0000 1.40845E-02 0.7002 0 1
12618 B 98.31900 57.000 47.501 1.0000 0.0000 1.75439E-02 0.7002 0 1
12619 B 98.32600 84.000 47.500 1.0000 0.0000 1.19048E-02 0.6992 0 1
12620 B 98.33298 75.000 47.499 1.0000 0.0000 1.33333E-02 0.7002 0 1
12621 B 98.34000 77.000 47.498 1.0000 0.0000 1.29870E-02 0.7002 0 1
12622 B 98.34699 85.000 47.496 1.0000 0.0000 1.17647E-02 0.7002 0 1
12623 B 98.35400 66.000 47.495 1.0000 0.0000 1.51515E-02 0.7002 0 1
12624 B 98.36101 58.000 47.494 1.0000 0.0000 1.72414E-02 0.6992 0 1
12625 B 98.36799 66.000 47.493 1.0000 0.0000 1.51515E-02 0.7002 0 1
12626 B 98.37500 68.000 47.491 1.0000 0.0000 1.47059E-02 0.7002 0 1
12627 B 98.38199 68.000 47.490 1.0000 0.0000 1.47059E-02 0.7002 0 1
12628 B 98.38901 75.000 47.489 1.0000 0.0000 1.33333E-02 0.7002 0 1
12629 B 98.39600 68.000 47.488 1.0000 0.0000 1.47059E-02 0.6992 0 1
12630 B 98.40298 71.000 47.487 1.0000 0.0000 1.40845E-02 0.7002 0 1
12631 B 98.41000 67.000 47.485 1.0000 0.0000 1.49254E-02 0.7002 0 1
12632 B 98.41699 57.000 47.484 1.0000 0.0000 1.75439E-02 0.7002 0 1
12633 B 98.42400 69.000 47.483 1.0000 0.0000 1.44928E-02 0.7002 0 1
12634 B 98.43101 62.000 47.482 1.0000 0.0000 1.61290E-02 0.6992 0 1
12635 B 98.43799 76.000 47.480 1.0000 0.0000 1.31579E-02 0.7002 0 1
12636 B 98.44500 79.000 47.479 1.0000 0.0000 1.26582E-02 0.7002 0 1
12637 B 98.45200 70.000 47.478 1.0000 0.0000 1.42857E-02 0.7002 0 1
12638 B 98.45901 72.000 47.477 1.0000 0.0000 1.38889E-02 0.7002 0 1
12639 B 98.46600 72.000 47.476 1.0000 0.0000 1.38889E-02 0.6992 0 1
12640 B 98.47299 72.000 47.474 1.0000 0.0000 1.38889E-02 0.7002 0 1
12641 B 98.48000 74.000 47.473 1.0000 0.0000 1.35135E-02 0.7002 0 1
12642 B 98.48699 76.000 47.472 1.0000 0.0000 1.31579E-02 0.7002 0 1
12643 B 98.49400 70.000 47.471 1.0000 0.0000 1.42857E-02 0.7002 0 1
12644 B 98.50101 65.000 47.470 1.0000 0.0000 1.53846E-02 0.6992 0 1
12645 B 98.50799 80.000 47.469 1.0000 0.0000 1.25000E-02 0.7002 0 1
12646 B 98.51500 75.000 47.467 1.0000 0.0000 1.33333E-02 0.7002 0 1
12647 B 98.52200 69.000 47.466 1.0000 0.0000 1.44928E-02 0.7002 0 1
12648 B 98.52901 88.000 47.465 1.0000 0.0000 1.13636E-02 0.7002 0 1
12649 B 98.53600 76.000 47.464 1.0000 0.0000 1.31579E-02 0.6992 0 1
12650 B 98.54299 65.000 47.463 1.0000 0.0000 1.53846E-02 0.7002 0 1
12651 B 98.55000 70.000 47.461 1.0000 0.0000 1.42857E-02 0.7002 0 1
12652 B 98.55699 73.000 47.460 1.0000 0.0000 1.36986E-02 0.7002 0 1
12653 B 98.56400 67.000 47.459 1.0000 0.0000 1.49254E-02 0.7002 0 1
12654 . 98.57101 70.000 47.594 1.0000 0.0000 1.42857E-02 0.6992 69 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 224
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12655 . 98.57799 66.000 47.601 1.0000 0.0000 1.51515E-02 0.7002 69 1
12656 . 98.58500 62.000 47.608 1.0000 0.0000 1.61290E-02 0.7002 69 1
12657 . 98.59200 70.000 47.615 1.0000 0.0000 1.42857E-02 0.7002 69 1
12658 . 98.59901 65.000 47.624 1.0000 0.0000 1.53846E-02 0.7002 69 1
12659 . 98.60600 67.000 47.634 1.0000 0.0000 1.49254E-02 0.6992 69 1
12660 . 98.61299 76.000 47.644 1.0000 0.0000 1.31579E-02 0.7002 69 1
12661 . 98.62000 62.000 47.656 1.0000 0.0000 1.61290E-02 0.7002 69 1
12662 . 98.62699 88.000 47.669 1.0000 0.0000 1.13636E-02 0.7002 69 1
12663 . 98.63400 71.000 47.684 1.0000 0.0000 1.40845E-02 0.7002 69 1
12664 . 98.64101 74.000 47.700 1.0000 0.0000 1.35135E-02 0.6992 69 1
12665 . 98.64799 65.000 47.718 1.0000 0.0000 1.53846E-02 0.7002 69 1
12666 . 98.65500 65.000 47.738 1.0000 0.0000 1.53846E-02 0.7002 69 1
12667 . 98.66199 67.000 47.762 1.0000 0.0000 1.49254E-02 0.7002 69 1
12668 . 98.66901 73.000 47.788 1.0000 0.0000 1.36986E-02 0.7002 69 1
12669 . 98.67600 82.000 47.818 1.0000 0.0000 1.21951E-02 0.6992 69 1
12670 . 98.68299 79.000 47.852 1.0000 0.0000 1.26582E-02 0.7002 69 1
12671 . 98.69000 61.000 47.891 1.0000 0.0000 1.63934E-02 0.7002 69 1
12672 . 98.69699 76.000 47.937 1.0000 0.0000 1.31579E-02 0.7002 69 1
12673 . 98.70400 72.000 47.991 1.0000 0.0000 1.38889E-02 0.7002 69 1
12674 . 98.71101 82.000 48.056 1.0000 0.0000 1.21951E-02 0.6992 69 1
12675 . 98.71799 73.000 48.137 1.0000 0.0000 1.36986E-02 0.7002 69 1
12676 . 98.72500 59.000 48.241 1.0000 0.0000 1.69492E-02 0.7002 69 1
12677 . 98.73199 76.000 48.383 1.0000 0.0000 1.31579E-02 0.7002 69 1
12678 . 98.73901 77.000 48.584 1.0000 0.0000 1.29870E-02 0.7002 69 1
12679 . 98.74600 67.000 48.879 1.0000 0.0000 1.49254E-02 0.6992 69 1
12680 . 98.75299 63.000 49.314 1.0000 0.0000 1.58730E-02 0.7002 69 1
12681 . 98.76000 69.000 49.955 1.0000 0.0000 1.44928E-02 0.7002 69 1
12682 . 98.76699 60.000 50.871 1.0000 0.0000 1.66667E-02 0.7002 69 1
12683 . 98.77400 81.000 52.140 1.0000 0.0000 1.23457E-02 0.7002 69 1
12684 . 98.78101 87.000 53.810 1.0000 0.0000 1.14943E-02 0.6992 69 1
12685 . 98.78799 78.000 55.889 1.0000 0.0000 1.28205E-02 0.7002 69 1
12686 . 98.79500 72.000 58.336 1.0000 0.0000 1.38889E-02 0.7002 69 1
12687 . 98.80199 68.000 60.995 1.0000 0.0000 1.47059E-02 0.7002 69 1
12688 . 98.80901 76.000 63.633 1.0000 0.0000 1.31579E-02 0.7002 69 1
12689 . 98.81601 74.000 65.877 1.0000 0.0000 1.35135E-02 0.6992 69 1
12690 .1 98.82299 73.000 67.297 1.0000 0.0000 1.36986E-02 0.7002 69 1
12691 . 98.83000 67.000 67.547 1.0000 0.0000 1.49254E-02 0.7002 69 1
12692 . 98.83699 79.000 66.553 1.0000 0.0000 1.26582E-02 0.7002 69 1
12693 . 98.84400 76.000 64.574 1.0000 0.0000 1.31579E-02 0.7002 69 1
12694 . 98.85101 70.000 62.042 1.0000 0.0000 1.42857E-02 0.6992 69 1
12695 . 98.85799 73.000 59.360 1.0000 0.0000 1.36986E-02 0.7002 69 1
12696 . 98.86500 66.000 56.802 1.0000 0.0000 1.51515E-02 0.7002 69 1
12697 . 98.87199 71.000 54.566 1.0000 0.0000 1.40845E-02 0.7002 69 1
12698 . 98.87901 71.000 52.727 1.0000 0.0000 1.40845E-02 0.7002 69 1
12699 . 98.88601 74.000 51.305 1.0000 0.0000 1.35135E-02 0.6992 69 1
12700 . 98.89299 68.000 50.259 1.0000 0.0000 1.47059E-02 0.7002 69 1
12701 . 98.90000 70.000 49.516 1.0000 0.0000 1.42857E-02 0.7002 69 1
12702 . 98.90699 72.000 49.078 1.0000 0.0000 1.38889E-02 0.7002 69 2
12703 . 98.91400 79.000 48.736 1.0000 0.0000 1.26582E-02 0.7002 69 2
12704 . 98.92101 86.000 48.505 1.0000 0.0000 1.16279E-02 0.6992 69 2
12705 . 98.92799 81.000 48.346 1.0000 0.0000 1.23457E-02 0.7002 69 2
12706 . 98.93500 77.000 48.232 1.0000 0.0000 1.29870E-02 0.7002 69 2
12707 . 98.94199 79.000 48.147 1.0000 0.0000 1.26582E-02 0.7002 69 2
12708 . 98.94901 68.000 48.081 1.0000 0.0000 1.47059E-02 0.7002 69 2
12709 . 98.95601 77.000 48.028 1.0000 0.0000 1.29870E-02 0.6992 69 2
12710 . 98.96299 77.000 47.985 1.0000 0.0000 1.29870E-02 0.7002 69 2
12711 . 98.97000 62.000 47.950 1.0000 0.0000 1.61290E-02 0.7002 69 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 225
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12712 . 98.97699 71.000 47.921 1.0000 0.0000 1.40845E-02 0.7002 69 2
12713 . 98.98400 69.000 47.898 1.0000 0.0000 1.44928E-02 0.7002 69 2
12714 . 98.99100 75.000 47.880 1.0000 0.0000 1.33333E-02 0.6992 69 2
12715 . 98.99799 65.000 47.867 1.0000 0.0000 1.53846E-02 0.7002 69 2
12716 . 99.00500 72.000 47.859 1.0000 0.0000 1.38889E-02 0.7002 69 2
12717 . 99.01199 67.000 47.855 1.0000 0.0000 1.49254E-02 0.7002 69 2
12718 . 99.01900 74.000 47.855 1.0000 0.0000 1.35135E-02 0.7002 69 2
12719 . 99.02601 80.000 47.861 1.0000 0.0000 1.25000E-02 0.6992 69 2
12720 . 99.03299 84.000 47.872 1.0000 0.0000 1.19048E-02 0.7002 69 2
12721 . 99.04000 76.000 47.889 1.0000 0.0000 1.31579E-02 0.7002 69 2
12722 . 99.04699 81.000 47.916 1.0000 0.0000 1.23457E-02 0.7002 69 2
12723 . 99.05400 87.000 47.954 1.0000 0.0000 1.14943E-02 0.7002 69 2
12724 . 99.06100 62.000 48.010 1.0000 0.0000 1.61290E-02 0.6992 69 2
12725 . 99.06799 63.000 48.094 1.0000 0.0000 1.58730E-02 0.7002 69 2
12726 . 99.07500 71.000 48.221 1.0000 0.0000 1.40845E-02 0.7002 69 2
12727 . 99.08199 87.000 48.275 1.0000 0.0000 1.14943E-02 0.7002 70 1
12728 . 99.08900 76.000 48.572 1.0000 0.0000 1.31579E-02 0.7002 70 1
12729 . 99.09601 78.000 48.998 1.0000 0.0000 1.28205E-02 0.6992 70 1
12730 . 99.10299 73.000 49.590 1.0000 0.0000 1.36986E-02 0.7002 70 1
12731 . 99.11000 77.000 50.381 1.0000 0.0000 1.29870E-02 0.7002 70 1
12732 . 99.11699 83.000 51.375 1.0000 0.0000 1.20482E-02 0.7002 70 1
12733 . 99.12400 85.000 52.560 1.0000 0.0000 1.17647E-02 0.7002 70 1
12734 . 99.13100 80.000 53.870 1.0000 0.0000 1.25000E-02 0.6992 70 1
12735 . 99.13799 73.000 55.193 1.0000 0.0000 1.36986E-02 0.7002 70 1
12736 . 99.14500 78.000 56.369 1.0000 0.0000 1.28205E-02 0.7002 70 1
12737 .1 99.15199 88.000 57.181 1.0000 0.0000 1.13636E-02 0.7002 70 1
12738 . 99.15900 81.000 57.439 1.0000 0.0000 1.23457E-02 0.7002 70 1
12739 . 99.16601 88.000 57.071 1.0000 0.0000 1.13636E-02 0.6992 70 1
12740 . 99.17299 68.000 56.179 1.0000 0.0000 1.47059E-02 0.7002 70 1
12741 . 99.18000 77.000 54.960 1.0000 0.0000 1.29870E-02 0.7002 70 1
12742 . 99.18699 70.000 53.626 1.0000 0.0000 1.42857E-02 0.7002 70 1
12743 . 99.19400 80.000 52.328 1.0000 0.0000 1.25000E-02 0.7002 70 1
12744 . 99.20100 74.000 51.173 1.0000 0.0000 1.35135E-02 0.6992 70 1
12745 . 99.20798 87.000 50.214 1.0000 0.0000 1.14943E-02 0.7002 70 1
12746 . 99.21500 85.000 49.458 1.0000 0.0000 1.17647E-02 0.7002 70 1
12747 . 99.22199 82.000 48.895 1.0000 0.0000 1.21951E-02 0.7002 70 1
12748 . 99.22900 75.000 48.492 1.0000 0.0000 1.33333E-02 0.7002 70 1
12749 . 99.23601 90.000 48.214 1.0000 0.0000 1.11111E-02 0.6992 70 1
12750 . 99.24299 81.000 48.025 1.0000 0.0000 1.23457E-02 0.7002 70 1
12751 . 99.25000 76.000 47.896 1.0000 0.0000 1.31579E-02 0.7002 70 1
12752 . 99.25699 80.000 47.807 1.0000 0.0000 1.25000E-02 0.7002 70 1
12753 . 99.26401 88.000 47.742 1.0000 0.0000 1.13636E-02 0.7002 70 1
12754 . 99.27100 90.000 47.694 1.0000 0.0000 1.11111E-02 0.6992 70 1
12755 . 99.27798 87.000 47.655 1.0000 0.0000 1.14943E-02 0.7002 70 1
12756 . 99.28500 76.000 47.623 1.0000 0.0000 1.31579E-02 0.7002 70 1
12757 . 99.29199 75.000 47.597 1.0000 0.0000 1.33333E-02 0.7002 70 1
12758 . 99.29900 87.000 47.574 1.0000 0.0000 1.14943E-02 0.7002 70 1
12759 . 99.30601 91.000 47.554 1.0000 0.0000 1.09890E-02 0.6992 70 1
12760 . 99.31299 82.000 47.536 1.0000 0.0000 1.21951E-02 0.7002 70 1
12761 . 99.32000 78.000 47.520 1.0000 0.0000 1.28205E-02 0.7002 70 1
12762 . 99.32700 82.000 47.506 1.0000 0.0000 1.21951E-02 0.7002 70 1
12763 . 99.33401 80.000 47.494 1.0000 0.0000 1.25000E-02 0.7002 70 1
12764 . 99.34100 81.000 47.483 1.0000 0.0000 1.23457E-02 0.6992 70 1
12765 . 99.34799 83.000 47.473 1.0000 0.0000 1.20482E-02 0.7002 70 1
12766 . 99.35500 94.000 47.463 1.0000 0.0000 1.06383E-02 0.7002 70 1
12767 . 99.36199 95.000 47.455 1.0000 0.0000 1.05263E-02 0.7002 70 1
12768 . 99.36900 78.000 47.447 1.0000 0.0000 1.28205E-02 0.7002 70 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 226
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12769 . 99.37601 85.000 47.440 1.0000 0.0000 1.17647E-02 0.6992 70 1
12770 . 99.38299 82.000 47.434 1.0000 0.0000 1.21951E-02 0.7002 70 1
12771 . 99.39000 77.000 47.428 1.0000 0.0000 1.29870E-02 0.7002 70 1
12772 . 99.39700 70.000 47.422 1.0000 0.0000 1.42857E-02 0.7002 70 1
12773 . 99.40401 80.000 47.417 1.0000 0.0000 1.25000E-02 0.7002 70 1
12774 B 99.41100 80.000 47.342 1.0000 0.0000 1.25000E-02 0.6992 0 1
12775 B 99.41799 80.000 47.341 1.0000 0.0000 1.25000E-02 0.7002 0 1
12776 B 99.42500 84.000 47.340 1.0000 0.0000 1.19048E-02 0.7002 0 1
12777 B 99.43199 87.000 47.340 1.0000 0.0000 1.14943E-02 0.7002 0 1
12778 B 99.43900 81.000 47.339 1.0000 0.0000 1.23457E-02 0.7002 0 1
12779 B 99.44601 87.000 47.338 1.0000 0.0000 1.14943E-02 0.6992 0 1
12780 B 99.45299 89.000 47.337 1.0000 0.0000 1.12360E-02 0.7002 0 1
12781 B 99.46000 92.000 47.337 1.0000 0.0000 1.08696E-02 0.7002 0 1
12782 B 99.46700 87.000 47.336 1.0000 0.0000 1.14943E-02 0.7002 0 1
12783 B 99.47401 104.00 47.335 1.0000 0.0000 9.61538E-03 0.7002 0 1
12784 B 99.48100 88.000 47.334 1.0000 0.0000 1.13636E-02 0.6992 0 1
12785 B 99.48799 105.00 47.333 1.0000 0.0000 9.52381E-03 0.7002 0 1
12786 B 99.49500 86.000 47.333 1.0000 0.0000 1.16279E-02 0.7002 0 1
12787 B 99.50199 81.000 47.332 1.0000 0.0000 1.23457E-02 0.7002 0 1
12788 B 99.50900 90.000 47.331 1.0000 0.0000 1.11111E-02 0.7002 0 1
12789 B 99.51601 92.000 47.331 1.0000 0.0000 1.08696E-02 0.6992 0 1
12790 B 99.52299 102.00 47.330 1.0000 0.0000 9.80392E-03 0.7002 0 1
12791 B 99.53000 89.000 47.329 1.0000 0.0000 1.12360E-02 0.7002 0 1
12792 B 99.53699 88.000 47.328 1.0000 0.0000 1.13636E-02 0.7002 0 1
12793 B 99.54401 98.000 47.328 1.0000 0.0000 1.02041E-02 0.7002 0 1
12794 B 99.55100 92.000 47.327 1.0000 0.0000 1.08696E-02 0.6992 0 1
12795 B 99.55799 97.000 47.326 1.0000 0.0000 1.03093E-02 0.7002 0 1
12796 B 99.56500 93.000 47.325 1.0000 0.0000 1.07527E-02 0.7002 0 1
12797 B 99.57199 99.000 47.325 1.0000 0.0000 1.01010E-02 0.7002 0 1
12798 B 99.57900 91.000 47.324 1.0000 0.0000 1.09890E-02 0.7002 0 1
12799 B 99.58601 99.000 47.323 1.0000 0.0000 1.01010E-02 0.6992 0 1
12800 B 99.59299 92.000 47.323 1.0000 0.0000 1.08696E-02 0.7002 0 1
12801 B 99.60000 95.000 47.322 1.0000 0.0000 1.05263E-02 0.7002 0 1
12802 B 99.60699 93.000 47.321 1.0000 0.0000 1.07527E-02 0.7002 0 1
12803 B 99.61401 68.000 47.321 1.0000 0.0000 1.47059E-02 0.7002 0 1
12804 B 99.62100 91.000 47.320 1.0000 0.0000 1.09890E-02 0.6992 0 1
12805 B 99.62799 86.000 47.319 1.0000 0.0000 1.16279E-02 0.7002 0 1
12806 B 99.63500 87.000 47.318 1.0000 0.0000 1.14943E-02 0.7002 0 1
12807 B 99.64199 85.000 47.318 1.0000 0.0000 1.17647E-02 0.7002 0 1
12808 B 99.64900 90.000 47.317 1.0000 0.0000 1.11111E-02 0.7002 0 1
12809 B 99.65601 92.000 47.316 1.0000 0.0000 1.08696E-02 0.6992 0 1
12810 B 99.66299 91.000 47.316 1.0000 0.0000 1.09890E-02 0.7002 0 1
12811 B 99.67000 93.000 47.315 1.0000 0.0000 1.07527E-02 0.7002 0 1
12812 B 99.67699 83.000 47.314 1.0000 0.0000 1.20482E-02 0.7002 0 1
12813 B 99.68401 97.000 47.314 1.0000 0.0000 1.03093E-02 0.7002 0 1
12814 B 99.69101 91.000 47.313 1.0000 0.0000 1.09890E-02 0.6992 0 1
12815 B 99.69799 87.000 47.312 1.0000 0.0000 1.14943E-02 0.7002 0 1
12816 B 99.70500 91.000 47.312 1.0000 0.0000 1.09890E-02 0.7002 0 1
12817 B 99.71199 96.000 47.311 1.0000 0.0000 1.04167E-02 0.7002 0 1
12818 B 99.71900 106.00 47.310 1.0000 0.0000 9.43396E-03 0.7002 0 1
12819 B 99.72601 94.000 47.310 1.0000 0.0000 1.06383E-02 0.6992 0 1
12820 B 99.73299 103.00 47.309 1.0000 0.0000 9.70874E-03 0.7002 0 1
12821 B 99.74000 93.000 47.309 1.0000 0.0000 1.07527E-02 0.7002 0 1
12822 B 99.74699 91.000 47.308 1.0000 0.0000 1.09890E-02 0.7002 0 1
12823 B 99.75401 93.000 47.307 1.0000 0.0000 1.07527E-02 0.7002 0 1
12824 B 99.76101 94.000 47.307 1.0000 0.0000 1.06383E-02 0.6992 0 1
12825 B 99.76799 90.000 47.306 1.0000 0.0000 1.11111E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 227
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12826 B 99.77500 108.00 47.305 1.0000 0.0000 9.25926E-03 0.7002 0 1
12827 B 99.78199 105.00 47.305 1.0000 0.0000 9.52381E-03 0.7002 0 1
12828 B 99.78900 87.000 47.304 1.0000 0.0000 1.14943E-02 0.7002 0 1
12829 B 99.79601 109.00 47.304 1.0000 0.0000 9.17431E-03 0.6992 0 1
12830 B 99.80299 92.000 47.303 1.0000 0.0000 1.08696E-02 0.7002 0 1
12831 B 99.81000 101.00 47.302 1.0000 0.0000 9.90099E-03 0.7002 0 1
12832 B 99.81699 89.000 47.302 1.0000 0.0000 1.12360E-02 0.7002 0 1
12833 B 99.82401 100.00 47.301 1.0000 0.0000 1.00000E-02 0.7002 0 1
12834 B 99.83101 118.00 47.300 1.0000 0.0000 8.47458E-03 0.6992 0 1
12835 B 99.83799 105.00 47.300 1.0000 0.0000 9.52381E-03 0.7002 0 1
12836 B 99.84500 98.000 47.299 1.0000 0.0000 1.02041E-02 0.7002 0 1
12837 B 99.85199 107.00 47.299 1.0000 0.0000 9.34579E-03 0.7002 0 1
12838 B 99.85900 98.000 47.298 1.0000 0.0000 1.02041E-02 0.7002 0 1
12839 B 99.86600 101.00 47.298 1.0000 0.0000 9.90099E-03 0.6992 0 1
12840 B 99.87299 100.00 47.297 1.0000 0.0000 1.00000E-02 0.7002 0 1
12841 B 99.88000 101.00 47.296 1.0000 0.0000 9.90099E-03 0.7002 0 1
12842 B 99.88699 122.00 47.296 1.0000 0.0000 8.19672E-03 0.7002 0 1
12843 B 99.89400 115.00 47.295 1.0000 0.0000 8.69565E-03 0.7002 0 1
12844 B 99.90101 97.000 47.295 1.0000 0.0000 1.03093E-02 0.6992 0 1
12845 B 99.90799 114.00 47.294 1.0000 0.0000 8.77193E-03 0.7002 0 1
12846 B 99.91500 114.00 47.294 1.0000 0.0000 8.77193E-03 0.7002 0 1
12847 B 99.92199 107.00 47.293 1.0000 0.0000 9.34579E-03 0.7002 0 1
12848 B 99.92900 108.00 47.292 1.0000 0.0000 9.25926E-03 0.7002 0 1
12849 B 99.93600 108.00 47.292 1.0000 0.0000 9.25926E-03 0.6992 0 1
12850 B 99.94299 89.000 47.291 1.0000 0.0000 1.12360E-02 0.7002 0 1
12851 B 99.95000 89.000 47.291 1.0000 0.0000 1.12360E-02 0.7002 0 1
12852 B 99.95699 95.000 47.290 1.0000 0.0000 1.05263E-02 0.7002 0 1
12853 B 99.96400 105.00 47.290 1.0000 0.0000 9.52381E-03 0.7002 0 1
12854 B 99.97101 109.00 47.289 1.0000 0.0000 9.17431E-03 0.6992 0 1
12855 B 99.97799 104.00 47.289 1.0000 0.0000 9.61538E-03 0.7002 0 1
12856 B 99.98500 115.00 47.288 1.0000 0.0000 8.69565E-03 0.7002 0 1
12857 B 99.99199 112.00 47.288 1.0000 0.0000 8.92857E-03 0.7002 0 1
12858 B 99.99900 96.000 47.287 1.0000 0.0000 1.04167E-02 0.7002 0 1
12859 B 100.00600 95.000 47.286 1.0000 0.0000 1.05263E-02 0.6992 0 1
12860 B 100.01299 118.00 47.286 1.0000 0.0000 8.47458E-03 0.7002 0 1
12861 B 100.02000 82.000 47.285 1.0000 0.0000 1.21951E-02 0.7002 0 1
12862 B 100.02699 102.00 47.285 1.0000 0.0000 9.80392E-03 0.7002 0 1
12863 B 100.03400 119.00 47.284 1.0000 0.0000 8.40336E-03 0.7002 0 1
12864 B 100.04101 120.00 47.284 1.0000 0.0000 8.33333E-03 0.6992 0 1
12865 B 100.04799 104.00 47.283 1.0000 0.0000 9.61538E-03 0.7002 0 1
12866 B 100.05500 122.00 47.283 1.0000 0.0000 8.19672E-03 0.7002 0 1
12867 B 100.06199 98.000 47.282 1.0000 0.0000 1.02041E-02 0.7002 0 1
12868 B 100.06900 111.00 47.282 1.0000 0.0000 9.00901E-03 0.7002 0 1
12869 B 100.07600 119.00 47.281 1.0000 0.0000 8.40336E-03 0.6992 0 1
12870 B 100.08298 115.00 47.281 1.0000 0.0000 8.69565E-03 0.7002 0 1
12871 B 100.09000 109.00 47.280 1.0000 0.0000 9.17431E-03 0.7002 0 1
12872 B 100.09699 121.00 47.280 1.0000 0.0000 8.26446E-03 0.7002 0 1
12873 B 100.10400 111.00 47.279 1.0000 0.0000 9.00901E-03 0.7002 0 1
12874 B 100.11101 112.00 47.279 1.0000 0.0000 8.92857E-03 0.6992 0 1
12875 B 100.11799 97.000 47.279 1.0000 0.0000 1.03093E-02 0.7002 0 1
12876 B 100.12500 118.00 47.278 1.0000 0.0000 8.47458E-03 0.7002 0 1
12877 B 100.13199 121.00 47.278 1.0000 0.0000 8.26446E-03 0.7002 0 1
12878 B 100.13901 124.00 47.277 1.0000 0.0000 8.06452E-03 0.7002 0 1
12879 B 100.14600 113.00 47.277 1.0000 0.0000 8.84956E-03 0.6992 0 1
12880 B 100.15298 114.00 47.276 1.0000 0.0000 8.77193E-03 0.7002 0 1
12881 B 100.16000 108.00 47.276 1.0000 0.0000 9.25926E-03 0.7002 0 1
12882 B 100.16699 117.00 47.275 1.0000 0.0000 8.54701E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 228
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12883 B 100.17400 121.00 47.275 1.0000 0.0000 8.26446E-03 0.7002 0 1
12884 B 100.18101 109.00 47.274 1.0000 0.0000 9.17431E-03 0.6992 0 1
12885 B 100.18799 106.00 47.274 1.0000 0.0000 9.43396E-03 0.7002 0 1
12886 B 100.19500 99.000 47.274 1.0000 0.0000 1.01010E-02 0.7002 0 1
12887 B 100.20200 113.00 47.273 1.0000 0.0000 8.84956E-03 0.7002 0 1
12888 B 100.20901 112.00 47.273 1.0000 0.0000 8.92857E-03 0.7002 0 1
12889 B 100.21600 117.00 47.272 1.0000 0.0000 8.54701E-03 0.6992 0 1
12890 B 100.22299 116.00 47.272 1.0000 0.0000 8.62069E-03 0.7002 0 1
12891 B 100.23000 112.00 47.271 1.0000 0.0000 8.92857E-03 0.7002 0 1
12892 B 100.23699 114.00 47.271 1.0000 0.0000 8.77193E-03 0.7002 0 1
12893 B 100.24400 107.00 47.271 1.0000 0.0000 9.34579E-03 0.7002 0 1
12894 B 100.25101 118.00 47.270 1.0000 0.0000 8.47458E-03 0.6992 0 1
12895 B 100.25799 125.00 47.270 1.0000 0.0000 8.00000E-03 0.7002 0 1
12896 B 100.26500 127.00 47.269 1.0000 0.0000 7.87402E-03 0.7002 0 1
12897 B 100.27200 110.00 47.269 1.0000 0.0000 9.09091E-03 0.7002 0 1
12898 B 100.27901 115.00 47.268 1.0000 0.0000 8.69565E-03 0.7002 0 1
12899 B 100.28600 119.00 47.268 1.0000 0.0000 8.40336E-03 0.6992 0 1
12900 B 100.29299 129.00 47.268 1.0000 0.0000 7.75194E-03 0.7002 0 1
12901 B 100.30000 129.00 47.267 1.0000 0.0000 7.75194E-03 0.7002 0 1
12902 B 100.30699 115.00 47.267 1.0000 0.0000 8.69565E-03 0.7002 0 1
12903 B 100.31400 108.00 47.267 1.0000 0.0000 9.25926E-03 0.7002 0 1
12904 B 100.32101 118.00 47.266 1.0000 0.0000 8.47458E-03 0.6992 0 1
12905 B 100.32799 95.000 47.266 1.0000 0.0000 1.05263E-02 0.7002 0 1
12906 B 100.33500 120.00 47.265 1.0000 0.0000 8.33333E-03 0.7002 0 1
12907 B 100.34200 99.000 47.265 1.0000 0.0000 1.01010E-02 0.7002 0 1
12908 B 100.34901 113.00 47.265 1.0000 0.0000 8.84956E-03 0.7002 0 1
12909 B 100.35600 120.00 47.264 1.0000 0.0000 8.33333E-03 0.6992 0 1
12910 B 100.36299 122.00 47.264 1.0000 0.0000 8.19672E-03 0.7002 0 1
12911 B 100.37000 117.00 47.264 1.0000 0.0000 8.54701E-03 0.7002 0 1
12912 B 100.37699 117.00 47.263 1.0000 0.0000 8.54701E-03 0.7002 0 1
12913 B 100.38400 115.00 47.263 1.0000 0.0000 8.69565E-03 0.7002 0 1
12914 B 100.39101 119.00 47.262 1.0000 0.0000 8.40336E-03 0.6992 0 1
12915 B 100.39799 116.00 47.262 1.0000 0.0000 8.62069E-03 0.7002 0 1
12916 B 100.40500 110.00 47.262 1.0000 0.0000 9.09091E-03 0.7002 0 1
12917 B 100.41199 104.00 47.261 1.0000 0.0000 9.61538E-03 0.7002 0 1
12918 B 100.41901 117.00 47.261 1.0000 0.0000 8.54701E-03 0.7002 0 1
12919 B 100.42600 112.00 47.261 1.0000 0.0000 8.92857E-03 0.6992 0 1
12920 B 100.43299 106.00 47.260 1.0000 0.0000 9.43396E-03 0.7002 0 1
12921 B 100.44000 112.00 47.260 1.0000 0.0000 8.92857E-03 0.7002 0 1
12922 B 100.44699 115.00 47.260 1.0000 0.0000 8.69565E-03 0.7002 0 1
12923 B 100.45400 120.00 47.259 1.0000 0.0000 8.33333E-03 0.7002 0 1
12924 B 100.46101 106.00 47.259 1.0000 0.0000 9.43396E-03 0.6992 0 1
12925 B 100.46799 103.00 47.259 1.0000 0.0000 9.70874E-03 0.7002 0 1
12926 B 100.47500 105.00 47.258 1.0000 0.0000 9.52381E-03 0.7002 0 1
12927 B 100.48199 113.00 47.258 1.0000 0.0000 8.84956E-03 0.7002 0 1
12928 B 100.48901 116.00 47.258 1.0000 0.0000 8.62069E-03 0.7002 0 1
12929 B 100.49600 113.00 47.258 1.0000 0.0000 8.84956E-03 0.6992 0 1
12930 B 100.50299 116.00 47.257 1.0000 0.0000 8.62069E-03 0.7002 0 1
12931 B 100.51000 115.00 47.257 1.0000 0.0000 8.69565E-03 0.7002 0 1
12932 B 100.51699 111.00 47.257 1.0000 0.0000 9.00901E-03 0.7002 0 1
12933 B 100.52400 120.00 47.256 1.0000 0.0000 8.33333E-03 0.7002 0 1
12934 B 100.53101 115.00 47.256 1.0000 0.0000 8.69565E-03 0.6992 0 1
12935 B 100.53799 101.00 47.256 1.0000 0.0000 9.90099E-03 0.7002 0 1
12936 B 100.54500 97.000 47.255 1.0000 0.0000 1.03093E-02 0.7002 0 1
12937 B 100.55199 105.00 47.255 1.0000 0.0000 9.52381E-03 0.7002 0 1
12938 B 100.55901 109.00 47.255 1.0000 0.0000 9.17431E-03 0.7002 0 1
12939 B 100.56601 112.00 47.255 1.0000 0.0000 8.92857E-03 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 229
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12940 B 100.57299 123.00 47.254 1.0000 0.0000 8.13008E-03 0.7002 0 1
12941 B 100.58000 112.00 47.254 1.0000 0.0000 8.92857E-03 0.7002 0 1
12942 B 100.58699 106.00 47.254 1.0000 0.0000 9.43396E-03 0.7002 0 1
12943 B 100.59400 105.00 47.254 1.0000 0.0000 9.52381E-03 0.7002 0 1
12944 B 100.60101 110.00 47.253 1.0000 0.0000 9.09091E-03 0.6992 0 1
12945 B 100.60799 102.00 47.253 1.0000 0.0000 9.80392E-03 0.7002 0 1
12946 B 100.61500 93.000 47.253 1.0000 0.0000 1.07527E-02 0.7002 0 1
12947 B 100.62199 104.00 47.253 1.0000 0.0000 9.61538E-03 0.7002 0 1
12948 B 100.62901 110.00 47.252 1.0000 0.0000 9.09091E-03 0.7002 0 1
12949 B 100.63601 102.00 47.252 1.0000 0.0000 9.80392E-03 0.6992 0 1
12950 B 100.64299 99.000 47.252 1.0000 0.0000 1.01010E-02 0.7002 0 1
12951 B 100.65000 117.00 47.252 1.0000 0.0000 8.54701E-03 0.7002 0 1
12952 B 100.65699 92.000 47.251 1.0000 0.0000 1.08696E-02 0.7002 0 1
12953 B 100.66400 126.00 47.251 1.0000 0.0000 7.93651E-03 0.7002 0 1
12954 B 100.67101 103.00 47.251 1.0000 0.0000 9.70874E-03 0.6992 0 1
12955 B 100.67799 116.00 47.251 1.0000 0.0000 8.62069E-03 0.7002 0 1
12956 B 100.68500 99.000 47.250 1.0000 0.0000 1.01010E-02 0.7002 0 1
12957 B 100.69199 109.00 47.250 1.0000 0.0000 9.17431E-03 0.7002 0 1
12958 B 100.69901 110.00 47.250 1.0000 0.0000 9.09091E-03 0.7002 0 1
12959 B 100.70601 96.000 47.250 1.0000 0.0000 1.04167E-02 0.6992 0 1
12960 B 100.71299 105.00 47.250 1.0000 0.0000 9.52381E-03 0.7002 0 1
12961 B 100.72000 107.00 47.249 1.0000 0.0000 9.34579E-03 0.7002 0 1
12962 B 100.72699 99.000 47.249 1.0000 0.0000 1.01010E-02 0.7002 0 1
12963 B 100.73400 100.00 47.249 1.0000 0.0000 1.00000E-02 0.7002 0 1
12964 B 100.74100 107.00 47.249 1.0000 0.0000 9.34579E-03 0.6992 0 1
12965 B 100.74799 109.00 47.248 1.0000 0.0000 9.17431E-03 0.7002 0 1
12966 B 100.75500 92.000 47.248 1.0000 0.0000 1.08696E-02 0.7002 0 1
12967 B 100.76199 112.00 47.248 1.0000 0.0000 8.92857E-03 0.7002 0 1
12968 . 100.76900 114.00 48.148 1.0000 0.0000 8.77193E-03 0.7002 71 1
12969 . 100.77601 102.00 48.198 1.0000 0.0000 9.80392E-03 0.6992 71 1
12970 . 100.78299 95.000 48.252 1.0000 0.0000 1.05263E-02 0.7002 71 1
12971 . 100.79000 99.000 48.311 1.0000 0.0000 1.01010E-02 0.7002 71 1
12972 . 100.79699 95.000 48.375 1.0000 0.0000 1.05263E-02 0.7002 71 1
12973 . 100.80400 114.00 48.445 1.0000 0.0000 8.77193E-03 0.7002 71 1
12974 . 100.81100 120.00 48.522 1.0000 0.0000 8.33333E-03 0.6992 71 1
12975 . 100.81799 104.00 48.607 1.0000 0.0000 9.61538E-03 0.7002 71 1
12976 . 100.82500 108.00 48.700 1.0000 0.0000 9.25926E-03 0.7002 71 1
12977 . 100.83199 102.00 48.803 1.0000 0.0000 9.80392E-03 0.7002 71 1
12978 . 100.83900 103.00 48.918 1.0000 0.0000 9.70874E-03 0.7002 71 1
12979 . 100.84601 101.00 49.045 1.0000 0.0000 9.90099E-03 0.6992 71 1
12980 . 100.85299 93.000 49.187 1.0000 0.0000 1.07527E-02 0.7002 71 1
12981 . 100.86000 110.00 49.347 1.0000 0.0000 9.09091E-03 0.7002 71 1
12982 . 100.86699 91.000 49.526 1.0000 0.0000 1.09890E-02 0.7002 71 1
12983 . 100.87400 91.000 49.731 1.0000 0.0000 1.09890E-02 0.7002 71 1
12984 . 100.88100 79.000 49.963 1.0000 0.0000 1.26582E-02 0.6992 71 1
12985 . 100.88799 100.00 50.228 1.0000 0.0000 1.00000E-02 0.7002 71 1
12986 . 100.89500 106.00 50.538 1.0000 0.0000 9.43396E-03 0.7002 71 1
12987 . 100.90199 91.000 50.901 1.0000 0.0000 1.09890E-02 0.7002 71 1
12988 . 100.90900 96.000 51.339 1.0000 0.0000 1.04167E-02 0.7002 71 1
12989 . 100.91601 104.00 51.884 1.0000 0.0000 9.61538E-03 0.6992 71 1
12990 . 100.92299 108.00 52.588 1.0000 0.0000 9.25926E-03 0.7002 71 1
12991 . 100.93000 89.000 53.548 1.0000 0.0000 1.12360E-02 0.7002 71 1
12992 . 100.93699 88.000 54.902 1.0000 0.0000 1.13636E-02 0.7002 71 1
12993 . 100.94400 93.000 56.876 1.0000 0.0000 1.07527E-02 0.7002 71 1
12994 . 100.95100 85.000 59.769 1.0000 0.0000 1.17647E-02 0.6992 71 1
12995 . 100.95798 83.000 63.959 1.0000 0.0000 1.20482E-02 0.7002 71 1
12996 . 100.96500 94.000 69.921 1.0000 0.0000 1.06383E-02 0.7002 71 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 230
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
12997 . 100.97199 90.000 78.042 1.0000 0.0000 1.11111E-02 0.7002 71 1
12998 . 100.97900 94.000 88.670 1.0000 0.0000 1.06383E-02 0.7002 71 1
12999 . 100.98601 98.000 101.81 1.0000 0.0000 1.02041E-02 0.6992 71 1
13000 . 100.99299 89.000 117.06 1.0000 0.0000 1.12360E-02 0.7002 71 1
13001 . 101.00000 96.000 133.67 1.0000 0.0000 1.04167E-02 0.7002 71 1
13002 . 101.00699 90.000 150.00 1.0000 0.0000 1.11111E-02 0.7002 71 1
13003 . 101.01401 88.000 163.96 1.0000 0.0000 1.13636E-02 0.7002 71 1
13004 .1 101.02100 100.00 172.85 1.0000 0.0000 1.00000E-02 0.6992 71 1
13005 . 101.02798 95.000 174.57 1.0000 0.0000 1.05263E-02 0.7002 71 1
13006 . 101.03500 96.000 168.63 1.0000 0.0000 1.04167E-02 0.7002 71 1
13007 . 101.04199 93.000 156.60 1.0000 0.0000 1.07527E-02 0.7002 71 1
13008 . 101.04900 99.000 140.98 1.0000 0.0000 1.01010E-02 0.7002 71 1
13009 . 101.05601 88.000 124.26 1.0000 0.0000 1.13636E-02 0.6992 71 1
13010 . 101.06299 86.000 108.30 1.0000 0.0000 1.16279E-02 0.7002 71 1
13011 . 101.07000 87.000 94.122 1.0000 0.0000 1.14943E-02 0.7002 71 1
13012 . 101.07700 93.000 82.402 1.0000 0.0000 1.07527E-02 0.7002 71 1
13013 . 101.08401 87.000 73.192 1.0000 0.0000 1.14943E-02 0.7002 71 1
13014 . 101.09100 83.000 66.330 1.0000 0.0000 1.20482E-02 0.6992 71 1
13015 . 101.09799 98.000 61.428 1.0000 0.0000 1.02041E-02 0.7002 71 1
13016 . 101.10500 93.000 58.007 1.0000 0.0000 1.07527E-02 0.7002 71 1
13017 . 101.11199 88.000 56.127 1.0000 0.0000 1.13636E-02 0.7002 71 2
13018 . 101.11900 87.000 54.555 1.0000 0.0000 1.14943E-02 0.7002 71 2
13019 . 101.12601 89.000 53.471 1.0000 0.0000 1.12360E-02 0.6992 71 2
13020 . 101.13299 90.000 52.699 1.0000 0.0000 1.11111E-02 0.7002 71 2
13021 . 101.14000 84.000 52.123 1.0000 0.0000 1.19048E-02 0.7002 71 2
13022 . 101.14700 75.000 51.679 1.0000 0.0000 1.33333E-02 0.7002 71 2
13023 . 101.15401 79.000 51.324 1.0000 0.0000 1.26582E-02 0.7002 71 2
13024 . 101.16100 95.000 51.035 1.0000 0.0000 1.05263E-02 0.6992 71 2
13025 . 101.16799 79.000 50.798 1.0000 0.0000 1.26582E-02 0.7002 71 2
13026 . 101.17500 84.000 50.602 1.0000 0.0000 1.19048E-02 0.7002 71 2
13027 . 101.18199 91.000 50.444 1.0000 0.0000 1.09890E-02 0.7002 71 2
13028 . 101.18900 80.000 50.317 1.0000 0.0000 1.25000E-02 0.7002 71 2
13029 . 101.19601 84.000 50.220 1.0000 0.0000 1.19048E-02 0.6992 71 2
13030 . 101.20299 81.000 50.149 1.0000 0.0000 1.23457E-02 0.7002 71 2
13031 . 101.21000 95.000 50.105 1.0000 0.0000 1.05263E-02 0.7002 71 2
13032 . 101.21700 87.000 50.086 1.0000 0.0000 1.14943E-02 0.7002 71 2
13033 . 101.22401 87.000 50.093 1.0000 0.0000 1.14943E-02 0.7002 71 2
13034 . 101.23100 95.000 50.128 1.0000 0.0000 1.05263E-02 0.6992 71 2
13035 . 101.23799 90.000 50.192 1.0000 0.0000 1.11111E-02 0.7002 71 2
13036 . 101.24500 84.000 50.292 1.0000 0.0000 1.19048E-02 0.7002 71 2
13037 . 101.25199 74.000 50.435 1.0000 0.0000 1.35135E-02 0.7002 71 2
13038 . 101.25900 84.000 50.636 1.0000 0.0000 1.19048E-02 0.7002 71 2
13039 . 101.26601 83.000 50.921 1.0000 0.0000 1.20482E-02 0.6992 71 2
13040 . 101.27299 76.000 51.332 1.0000 0.0000 1.31579E-02 0.7002 71 2
13041 . 101.28000 73.000 51.020 1.0000 0.0000 1.36986E-02 0.7002 72 1
13042 . 101.28699 84.000 51.976 1.0000 0.0000 1.19048E-02 0.7002 72 1
13043 . 101.29401 91.000 53.381 1.0000 0.0000 1.09890E-02 0.7002 72 1
13044 . 101.30100 82.000 55.420 1.0000 0.0000 1.21951E-02 0.6992 72 1
13045 . 101.30799 85.000 58.304 1.0000 0.0000 1.17647E-02 0.7002 72 1
13046 . 101.31500 77.000 62.267 1.0000 0.0000 1.29870E-02 0.7002 72 1
13047 . 101.32199 66.000 67.440 1.0000 0.0000 1.51515E-02 0.7002 72 1
13048 . 101.32900 67.000 73.886 1.0000 0.0000 1.49254E-02 0.7002 72 1
13049 . 101.33601 81.000 81.422 1.0000 0.0000 1.23457E-02 0.6992 72 1
13050 . 101.34299 82.000 89.621 1.0000 0.0000 1.21951E-02 0.7002 72 1
13051 . 101.35000 89.000 97.823 1.0000 0.0000 1.12360E-02 0.7002 72 1
13052 . 101.35699 84.000 104.91 1.0000 0.0000 1.19048E-02 0.7002 72 1
13053 .1 101.36401 77.000 109.64 1.0000 0.0000 1.29870E-02 0.7002 72 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 231
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13054 . 101.37100 80.000 110.86 1.0000 0.0000 1.25000E-02 0.6992 72 1
13055 . 101.37799 83.000 108.27 1.0000 0.0000 1.20482E-02 0.7002 72 1
13056 . 101.38500 80.000 102.52 1.0000 0.0000 1.25000E-02 0.7002 72 1
13057 . 101.39199 81.000 94.894 1.0000 0.0000 1.23457E-02 0.7002 72 1
13058 . 101.39900 72.000 86.576 1.0000 0.0000 1.38889E-02 0.7002 72 1
13059 . 101.40601 85.000 78.540 1.0000 0.0000 1.17647E-02 0.6992 72 1
13060 . 101.41299 83.000 71.394 1.0000 0.0000 1.20482E-02 0.7002 72 1
13061 . 101.42000 65.000 65.401 1.0000 0.0000 1.53846E-02 0.7002 72 1
13062 . 101.42699 85.000 60.686 1.0000 0.0000 1.17647E-02 0.7002 72 1
13063 . 101.43401 60.000 57.136 1.0000 0.0000 1.66667E-02 0.7002 72 1
13064 . 101.44101 73.000 54.583 1.0000 0.0000 1.36986E-02 0.6992 72 1
13065 . 101.44799 67.000 52.807 1.0000 0.0000 1.49254E-02 0.7002 72 1
13066 . 101.45500 72.000 51.585 1.0000 0.0000 1.38889E-02 0.7002 72 1
13067 . 101.46199 75.000 50.753 1.0000 0.0000 1.33333E-02 0.7002 72 1
13068 . 101.46900 78.000 50.172 1.0000 0.0000 1.28205E-02 0.7002 72 1
13069 . 101.47601 74.000 49.755 1.0000 0.0000 1.35135E-02 0.6992 72 1
13070 . 101.48299 60.000 49.442 1.0000 0.0000 1.66667E-02 0.7002 72 1
13071 . 101.49000 71.000 49.195 1.0000 0.0000 1.40845E-02 0.7002 72 1
13072 . 101.49699 65.000 48.994 1.0000 0.0000 1.53846E-02 0.7002 72 1
13073 . 101.50401 75.000 48.825 1.0000 0.0000 1.33333E-02 0.7002 72 1
13074 . 101.51101 66.000 48.680 1.0000 0.0000 1.51515E-02 0.6992 72 1
13075 . 101.51799 77.000 48.555 1.0000 0.0000 1.29870E-02 0.7002 72 1
13076 . 101.52500 65.000 48.445 1.0000 0.0000 1.53846E-02 0.7002 72 1
13077 . 101.53199 65.000 48.349 1.0000 0.0000 1.53846E-02 0.7002 72 1
13078 . 101.53900 68.000 48.264 1.0000 0.0000 1.47059E-02 0.7002 72 1
13079 . 101.54601 76.000 48.188 1.0000 0.0000 1.31579E-02 0.6992 72 1
13080 . 101.55299 72.000 48.120 1.0000 0.0000 1.38889E-02 0.7002 72 1
13081 . 101.56000 77.000 48.059 1.0000 0.0000 1.29870E-02 0.7002 72 1
13082 . 101.56699 71.000 48.004 1.0000 0.0000 1.40845E-02 0.7002 72 1
13083 . 101.57401 64.000 47.955 1.0000 0.0000 1.56250E-02 0.7002 72 1
13084 . 101.58101 80.000 47.910 1.0000 0.0000 1.25000E-02 0.6992 72 1
13085 . 101.58799 86.000 47.870 1.0000 0.0000 1.16279E-02 0.7002 72 1
13086 . 101.59500 80.000 47.833 1.0000 0.0000 1.25000E-02 0.7002 72 1
13087 . 101.60199 75.000 47.799 1.0000 0.0000 1.33333E-02 0.7002 72 1
13088 . 101.60900 64.000 47.768 1.0000 0.0000 1.56250E-02 0.7002 72 1
13089 . 101.61600 72.000 47.740 1.0000 0.0000 1.38889E-02 0.6992 72 1
13090 B 101.62299 75.000 47.248 1.0000 0.0000 1.33333E-02 0.7002 0 1
13091 B 101.63000 74.000 47.248 1.0000 0.0000 1.35135E-02 0.7002 0 1
13092 B 101.63699 62.000 47.248 1.0000 0.0000 1.61290E-02 0.7002 0 1
13093 B 101.64400 76.000 47.249 1.0000 0.0000 1.31579E-02 0.7002 0 1
13094 B 101.65101 80.000 47.249 1.0000 0.0000 1.25000E-02 0.6992 0 1
13095 B 101.65799 81.000 47.249 1.0000 0.0000 1.23457E-02 0.7002 0 1
13096 B 101.66500 81.000 47.249 1.0000 0.0000 1.23457E-02 0.7002 0 1
13097 B 101.67199 78.000 47.249 1.0000 0.0000 1.28205E-02 0.7002 0 1
13098 B 101.67900 81.000 47.250 1.0000 0.0000 1.23457E-02 0.7002 0 1
13099 B 101.68600 68.000 47.250 1.0000 0.0000 1.47059E-02 0.6992 0 1
13100 B 101.69299 61.000 47.250 1.0000 0.0000 1.63934E-02 0.7002 0 1
13101 B 101.70000 72.000 47.250 1.0000 0.0000 1.38889E-02 0.7002 0 1
13102 B 101.70699 71.000 47.251 1.0000 0.0000 1.40845E-02 0.7002 0 1
13103 B 101.71400 77.000 47.251 1.0000 0.0000 1.29870E-02 0.7002 0 1
13104 B 101.72101 74.000 47.251 1.0000 0.0000 1.35135E-02 0.6992 0 1
13105 B 101.72799 66.000 47.251 1.0000 0.0000 1.51515E-02 0.7002 0 1
13106 B 101.73500 67.000 47.251 1.0000 0.0000 1.49254E-02 0.7002 0 1
13107 B 101.74199 66.000 47.252 1.0000 0.0000 1.51515E-02 0.7002 0 1
13108 B 101.74900 69.000 47.252 1.0000 0.0000 1.44928E-02 0.7002 0 1
13109 B 101.75600 64.000 47.252 1.0000 0.0000 1.56250E-02 0.6992 0 1
13110 B 101.76299 64.000 47.252 1.0000 0.0000 1.56250E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 232
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13111 B 101.77000 69.000 47.253 1.0000 0.0000 1.44928E-02 0.7002 0 1
13112 B 101.77699 75.000 47.253 1.0000 0.0000 1.33333E-02 0.7002 0 1
13113 B 101.78400 70.000 47.253 1.0000 0.0000 1.42857E-02 0.7002 0 1
13114 B 101.79101 69.000 47.254 1.0000 0.0000 1.44928E-02 0.6992 0 1
13115 B 101.79799 63.000 47.254 1.0000 0.0000 1.58730E-02 0.7002 0 1
13116 B 101.80500 68.000 47.254 1.0000 0.0000 1.47059E-02 0.7002 0 1
13117 B 101.81199 70.000 47.254 1.0000 0.0000 1.42857E-02 0.7002 0 1
13118 B 101.81900 71.000 47.255 1.0000 0.0000 1.40845E-02 0.7002 0 1
13119 B 101.82600 71.000 47.255 1.0000 0.0000 1.40845E-02 0.6992 0 1
13120 B 101.83298 63.000 47.255 1.0000 0.0000 1.58730E-02 0.7002 0 1
13121 B 101.84000 63.000 47.255 1.0000 0.0000 1.58730E-02 0.7002 0 1
13122 B 101.84699 55.000 47.256 1.0000 0.0000 1.81818E-02 0.7002 0 1
13123 B 101.85400 54.000 47.256 1.0000 0.0000 1.85185E-02 0.7002 0 1
13124 B 101.86101 74.000 47.256 1.0000 0.0000 1.35135E-02 0.6992 0 1
13125 B 101.86799 80.000 47.257 1.0000 0.0000 1.25000E-02 0.7002 0 1
13126 B 101.87500 77.000 47.257 1.0000 0.0000 1.29870E-02 0.7002 0 1
13127 B 101.88199 73.000 47.257 1.0000 0.0000 1.36986E-02 0.7002 0 1
13128 B 101.88901 74.000 47.257 1.0000 0.0000 1.35135E-02 0.7002 0 1
13129 B 101.89600 77.000 47.258 1.0000 0.0000 1.29870E-02 0.6992 0 1
13130 B 101.90298 71.000 47.258 1.0000 0.0000 1.40845E-02 0.7002 0 1
13131 B 101.91000 60.000 47.258 1.0000 0.0000 1.66667E-02 0.7002 0 1
13132 B 101.91699 51.000 47.259 1.0000 0.0000 1.96078E-02 0.7002 0 1
13133 B 101.92400 63.000 47.259 1.0000 0.0000 1.58730E-02 0.7002 0 1
13134 B 101.93101 60.000 47.259 1.0000 0.0000 1.66667E-02 0.6992 0 1
13135 B 101.93799 65.000 47.260 1.0000 0.0000 1.53846E-02 0.7002 0 1
13136 B 101.94500 59.000 47.260 1.0000 0.0000 1.69492E-02 0.7002 0 1
13137 B 101.95200 71.000 47.260 1.0000 0.0000 1.40845E-02 0.7002 0 1
13138 B 101.95901 60.000 47.261 1.0000 0.0000 1.66667E-02 0.7002 0 1
13139 B 101.96600 49.000 47.261 1.0000 0.0000 2.04082E-02 0.6992 0 1
13140 B 101.97299 66.000 47.261 1.0000 0.0000 1.51515E-02 0.7002 0 1
13141 B 101.98000 64.000 47.262 1.0000 0.0000 1.56250E-02 0.7002 0 1
13142 B 101.98699 68.000 47.262 1.0000 0.0000 1.47059E-02 0.7002 0 1
13143 B 101.99400 64.000 47.262 1.0000 0.0000 1.56250E-02 0.7002 0 1
13144 B 102.00101 72.000 47.263 1.0000 0.0000 1.38889E-02 0.6992 0 1
13145 B 102.00799 80.000 47.263 1.0000 0.0000 1.25000E-02 0.7002 0 1
13146 B 102.01500 78.000 47.263 1.0000 0.0000 1.28205E-02 0.7002 0 1
13147 B 102.02200 68.000 47.264 1.0000 0.0000 1.47059E-02 0.7002 0 1
13148 B 102.02901 58.000 47.264 1.0000 0.0000 1.72414E-02 0.7002 0 1
13149 B 102.03600 66.000 47.265 1.0000 0.0000 1.51515E-02 0.6992 0 1
13150 B 102.04299 62.000 47.265 1.0000 0.0000 1.61290E-02 0.7002 0 1
13151 B 102.05000 64.000 47.265 1.0000 0.0000 1.56250E-02 0.7002 0 1
13152 B 102.05699 59.000 47.266 1.0000 0.0000 1.69492E-02 0.7002 0 1
13153 B 102.06400 75.000 47.266 1.0000 0.0000 1.33333E-02 0.7002 0 1
13154 B 102.07101 56.000 47.266 1.0000 0.0000 1.78571E-02 0.6992 0 1
13155 B 102.07799 73.000 47.267 1.0000 0.0000 1.36986E-02 0.7002 0 1
13156 B 102.08500 62.000 47.267 1.0000 0.0000 1.61290E-02 0.7002 0 1
13157 B 102.09200 57.000 47.268 1.0000 0.0000 1.75439E-02 0.7002 0 1
13158 B 102.09901 61.000 47.268 1.0000 0.0000 1.63934E-02 0.7002 0 1
13159 B 102.10600 56.000 47.268 1.0000 0.0000 1.78571E-02 0.6992 0 1
13160 B 102.11299 55.000 47.269 1.0000 0.0000 1.81818E-02 0.7002 0 1
13161 B 102.12000 60.000 47.269 1.0000 0.0000 1.66667E-02 0.7002 0 1
13162 B 102.12699 55.000 47.270 1.0000 0.0000 1.81818E-02 0.7002 0 1
13163 B 102.13400 55.000 47.270 1.0000 0.0000 1.81818E-02 0.7002 0 1
13164 B 102.14101 58.000 47.270 1.0000 0.0000 1.72414E-02 0.6992 0 1
13165 B 102.14799 60.000 47.271 1.0000 0.0000 1.66667E-02 0.7002 0 1
13166 B 102.15500 65.000 47.271 1.0000 0.0000 1.53846E-02 0.7002 0 1
13167 B 102.16199 54.000 47.272 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 233
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13168 B 102.16901 69.000 47.272 1.0000 0.0000 1.44928E-02 0.7002 0 1
13169 B 102.17600 50.000 47.273 1.0000 0.0000 2.00000E-02 0.6992 0 1
13170 B 102.18299 58.000 47.273 1.0000 0.0000 1.72414E-02 0.7002 0 1
13171 B 102.19000 64.000 47.273 1.0000 0.0000 1.56250E-02 0.7002 0 1
13172 B 102.19699 62.000 47.274 1.0000 0.0000 1.61290E-02 0.7002 0 1
13173 B 102.20400 56.000 47.274 1.0000 0.0000 1.78571E-02 0.7002 0 1
13174 B 102.21101 66.000 47.275 1.0000 0.0000 1.51515E-02 0.6992 0 1
13175 B 102.21799 65.000 47.275 1.0000 0.0000 1.53846E-02 0.7002 0 1
13176 B 102.22500 65.000 47.276 1.0000 0.0000 1.53846E-02 0.7002 0 1
13177 B 102.23199 69.000 47.276 1.0000 0.0000 1.44928E-02 0.7002 0 1
13178 B 102.23901 72.000 47.277 1.0000 0.0000 1.38889E-02 0.7002 0 1
13179 B 102.24600 68.000 47.277 1.0000 0.0000 1.47059E-02 0.6992 0 1
13180 B 102.25299 51.000 47.278 1.0000 0.0000 1.96078E-02 0.7002 0 1
13181 B 102.26000 62.000 47.278 1.0000 0.0000 1.61290E-02 0.7002 0 1
13182 B 102.26699 64.000 47.278 1.0000 0.0000 1.56250E-02 0.7002 0 1
13183 B 102.27400 55.000 47.279 1.0000 0.0000 1.81818E-02 0.7002 0 1
13184 B 102.28101 59.000 47.279 1.0000 0.0000 1.69492E-02 0.6992 0 1
13185 B 102.28799 61.000 47.280 1.0000 0.0000 1.63934E-02 0.7002 0 1
13186 B 102.29500 61.000 47.280 1.0000 0.0000 1.63934E-02 0.7002 0 1
13187 B 102.30199 58.000 47.281 1.0000 0.0000 1.72414E-02 0.7002 0 1
13188 B 102.30901 60.000 47.281 1.0000 0.0000 1.66667E-02 0.7002 0 1
13189 B 102.31601 61.000 47.282 1.0000 0.0000 1.63934E-02 0.6992 0 1
13190 B 102.32299 60.000 47.282 1.0000 0.0000 1.66667E-02 0.7002 0 1
13191 B 102.33000 59.000 47.283 1.0000 0.0000 1.69492E-02 0.7002 0 1
13192 B 102.33699 53.000 47.283 1.0000 0.0000 1.88679E-02 0.7002 0 1
13193 B 102.34400 53.000 47.284 1.0000 0.0000 1.88679E-02 0.7002 0 1
13194 B 102.35101 62.000 47.284 1.0000 0.0000 1.61290E-02 0.6992 0 1
13195 B 102.35799 61.000 47.285 1.0000 0.0000 1.63934E-02 0.7002 0 1
13196 B 102.36500 61.000 47.285 1.0000 0.0000 1.63934E-02 0.7002 0 1
13197 B 102.37199 48.000 47.286 1.0000 0.0000 2.08333E-02 0.7002 0 1
13198 B 102.37901 54.000 47.286 1.0000 0.0000 1.85185E-02 0.7002 0 1
13199 B 102.38601 57.000 47.287 1.0000 0.0000 1.75439E-02 0.6992 0 1
13200 B 102.39299 62.000 47.287 1.0000 0.0000 1.61290E-02 0.7002 0 1
13201 B 102.40000 64.000 47.288 1.0000 0.0000 1.56250E-02 0.7002 0 1
13202 B 102.40699 58.000 47.289 1.0000 0.0000 1.72414E-02 0.7002 0 1
13203 B 102.41400 70.000 47.289 1.0000 0.0000 1.42857E-02 0.7002 0 1
13204 B 102.42101 74.000 47.290 1.0000 0.0000 1.35135E-02 0.6992 0 1
13205 B 102.42799 60.000 47.290 1.0000 0.0000 1.66667E-02 0.7002 0 1
13206 B 102.43500 60.000 47.291 1.0000 0.0000 1.66667E-02 0.7002 0 1
13207 B 102.44199 64.000 47.291 1.0000 0.0000 1.56250E-02 0.7002 0 1
13208 B 102.44901 65.000 47.292 1.0000 0.0000 1.53846E-02 0.7002 0 1
13209 B 102.45601 57.000 47.292 1.0000 0.0000 1.75439E-02 0.6992 0 1
13210 B 102.46299 55.000 47.293 1.0000 0.0000 1.81818E-02 0.7002 0 1
13211 B 102.47000 77.000 47.293 1.0000 0.0000 1.29870E-02 0.7002 0 1
13212 B 102.47699 58.000 47.294 1.0000 0.0000 1.72414E-02 0.7002 0 1
13213 B 102.48400 57.000 47.295 1.0000 0.0000 1.75439E-02 0.7002 0 1
13214 B 102.49100 56.000 47.295 1.0000 0.0000 1.78571E-02 0.6992 0 1
13215 B 102.49799 61.000 47.296 1.0000 0.0000 1.63934E-02 0.7002 0 1
13216 B 102.50500 65.000 47.296 1.0000 0.0000 1.53846E-02 0.7002 0 1
13217 B 102.51199 67.000 47.297 1.0000 0.0000 1.49254E-02 0.7002 0 1
13218 B 102.51900 67.000 47.297 1.0000 0.0000 1.49254E-02 0.7002 0 1
13219 B 102.52601 57.000 47.298 1.0000 0.0000 1.75439E-02 0.6992 0 1
13220 B 102.53299 59.000 47.299 1.0000 0.0000 1.69492E-02 0.7002 0 1
13221 B 102.54000 63.000 47.299 1.0000 0.0000 1.58730E-02 0.7002 0 1
13222 B 102.54699 65.000 47.300 1.0000 0.0000 1.53846E-02 0.7002 0 1
13223 B 102.55400 58.000 47.300 1.0000 0.0000 1.72414E-02 0.7002 0 1
13224 B 102.56100 57.000 47.301 1.0000 0.0000 1.75439E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 234
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13225 B 102.56799 59.000 47.302 1.0000 0.0000 1.69492E-02 0.7002 0 1
13226 B 102.57500 57.000 47.302 1.0000 0.0000 1.75439E-02 0.7002 0 1
13227 B 102.58199 65.000 47.303 1.0000 0.0000 1.53846E-02 0.7002 0 1
13228 B 102.58900 55.000 47.303 1.0000 0.0000 1.81818E-02 0.7002 0 1
13229 B 102.59601 64.000 47.304 1.0000 0.0000 1.56250E-02 0.6992 0 1
13230 B 102.60299 63.000 47.305 1.0000 0.0000 1.58730E-02 0.7002 0 1
13231 B 102.61000 59.000 47.305 1.0000 0.0000 1.69492E-02 0.7002 0 1
13232 B 102.61699 69.000 47.306 1.0000 0.0000 1.44928E-02 0.7002 0 1
13233 B 102.62400 67.000 47.307 1.0000 0.0000 1.49254E-02 0.7002 0 1
13234 B 102.63100 52.000 47.307 1.0000 0.0000 1.92308E-02 0.6992 0 1
13235 B 102.63799 60.000 47.308 1.0000 0.0000 1.66667E-02 0.7002 0 1
13236 B 102.64500 56.000 47.308 1.0000 0.0000 1.78571E-02 0.7002 0 1
13237 B 102.65199 56.000 47.309 1.0000 0.0000 1.78571E-02 0.7002 0 1
13238 B 102.65900 64.000 47.310 1.0000 0.0000 1.56250E-02 0.7002 0 1
13239 B 102.66601 60.000 47.310 1.0000 0.0000 1.66667E-02 0.6992 0 1
13240 B 102.67299 65.000 47.311 1.0000 0.0000 1.53846E-02 0.7002 0 1
13241 B 102.68000 64.000 47.312 1.0000 0.0000 1.56250E-02 0.7002 0 1
13242 B 102.68699 51.000 47.312 1.0000 0.0000 1.96078E-02 0.7002 0 1
13243 B 102.69400 53.000 47.313 1.0000 0.0000 1.88679E-02 0.7002 0 1
13244 B 102.70100 60.000 47.314 1.0000 0.0000 1.66667E-02 0.6992 0 1
13245 B 102.70798 59.000 47.314 1.0000 0.0000 1.69492E-02 0.7002 0 1
13246 B 102.71500 63.000 47.315 1.0000 0.0000 1.58730E-02 0.7002 0 1
13247 B 102.72199 49.000 47.316 1.0000 0.0000 2.04082E-02 0.7002 0 1
13248 B 102.72900 52.000 47.316 1.0000 0.0000 1.92308E-02 0.7002 0 1
13249 B 102.73601 68.000 47.317 1.0000 0.0000 1.47059E-02 0.6992 0 1
13250 B 102.74299 58.000 47.318 1.0000 0.0000 1.72414E-02 0.7002 0 1
13251 B 102.75000 48.000 47.318 1.0000 0.0000 2.08333E-02 0.7002 0 1
13252 B 102.75699 51.000 47.319 1.0000 0.0000 1.96078E-02 0.7002 0 1
13253 B 102.76401 53.000 47.320 1.0000 0.0000 1.88679E-02 0.7002 0 1
13254 B 102.77100 53.000 47.320 1.0000 0.0000 1.88679E-02 0.6992 0 1
13255 B 102.77798 53.000 47.321 1.0000 0.0000 1.88679E-02 0.7002 0 1
13256 B 102.78500 60.000 47.322 1.0000 0.0000 1.66667E-02 0.7002 0 1
13257 B 102.79199 58.000 47.323 1.0000 0.0000 1.72414E-02 0.7002 0 1
13258 B 102.79900 58.000 47.323 1.0000 0.0000 1.72414E-02 0.7002 0 1
13259 B 102.80601 57.000 47.324 1.0000 0.0000 1.75439E-02 0.6992 0 1
13260 B 102.81299 62.000 47.325 1.0000 0.0000 1.61290E-02 0.7002 0 1
13261 B 102.82000 54.000 47.325 1.0000 0.0000 1.85185E-02 0.7002 0 1
13262 B 102.82700 64.000 47.326 1.0000 0.0000 1.56250E-02 0.7002 0 1
13263 B 102.83401 63.000 47.327 1.0000 0.0000 1.58730E-02 0.7002 0 1
13264 B 102.84100 63.000 47.328 1.0000 0.0000 1.58730E-02 0.6992 0 1
13265 B 102.84799 59.000 47.328 1.0000 0.0000 1.69492E-02 0.7002 0 1
13266 B 102.85500 62.000 47.329 1.0000 0.0000 1.61290E-02 0.7002 0 1
13267 B 102.86199 51.000 47.330 1.0000 0.0000 1.96078E-02 0.7002 0 1
13268 B 102.86900 43.000 47.330 1.0000 0.0000 2.32558E-02 0.7002 0 1
13269 B 102.87601 52.000 47.331 1.0000 0.0000 1.92308E-02 0.6992 0 1
13270 B 102.88299 58.000 47.332 1.0000 0.0000 1.72414E-02 0.7002 0 1
13271 B 102.89000 57.000 47.333 1.0000 0.0000 1.75439E-02 0.7002 0 1
13272 B 102.89700 54.000 47.333 1.0000 0.0000 1.85185E-02 0.7002 0 1
13273 B 102.90401 47.000 47.334 1.0000 0.0000 2.12766E-02 0.7002 0 1
13274 B 102.91100 47.000 47.335 1.0000 0.0000 2.12766E-02 0.6992 0 1
13275 B 102.91799 54.000 47.336 1.0000 0.0000 1.85185E-02 0.7002 0 1
13276 B 102.92500 67.000 47.336 1.0000 0.0000 1.49254E-02 0.7002 0 1
13277 B 102.93199 56.000 47.337 1.0000 0.0000 1.78571E-02 0.7002 0 1
13278 B 102.93900 51.000 47.338 1.0000 0.0000 1.96078E-02 0.7002 0 1
13279 B 102.94601 60.000 47.339 1.0000 0.0000 1.66667E-02 0.6992 0 1
13280 B 102.95299 67.000 47.339 1.0000 0.0000 1.49254E-02 0.7002 0 1
13281 B 102.96000 61.000 47.340 1.0000 0.0000 1.63934E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 235
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13282 B 102.96700 59.000 47.341 1.0000 0.0000 1.69492E-02 0.7002 0 1
13283 B 102.97401 63.000 47.342 1.0000 0.0000 1.58730E-02 0.7002 0 1
13284 B 102.98100 54.000 47.343 1.0000 0.0000 1.85185E-02 0.6992 0 1
13285 B 102.98799 57.000 47.343 1.0000 0.0000 1.75439E-02 0.7002 0 1
13286 B 102.99500 56.000 47.344 1.0000 0.0000 1.78571E-02 0.7002 0 1
13287 B 103.00199 55.000 47.345 1.0000 0.0000 1.81818E-02 0.7002 0 1
13288 B 103.00900 46.000 47.346 1.0000 0.0000 2.17391E-02 0.7002 0 1
13289 B 103.01601 43.000 47.347 1.0000 0.0000 2.32558E-02 0.6992 0 1
13290 B 103.02299 72.000 47.347 1.0000 0.0000 1.38889E-02 0.7002 0 1
13291 B 103.03000 53.000 47.348 1.0000 0.0000 1.88679E-02 0.7002 0 1
13292 B 103.03699 50.000 47.349 1.0000 0.0000 2.00000E-02 0.7002 0 1
13293 B 103.04401 60.000 47.350 1.0000 0.0000 1.66667E-02 0.7002 0 1
13294 B 103.05100 67.000 47.351 1.0000 0.0000 1.49254E-02 0.6992 0 1
13295 B 103.05799 61.000 47.351 1.0000 0.0000 1.63934E-02 0.7002 0 1
13296 B 103.06500 50.000 47.352 1.0000 0.0000 2.00000E-02 0.7002 0 1
13297 B 103.07199 53.000 47.353 1.0000 0.0000 1.88679E-02 0.7002 0 1
13298 B 103.07900 61.000 47.354 1.0000 0.0000 1.63934E-02 0.7002 0 1
13299 B 103.08601 68.000 47.355 1.0000 0.0000 1.47059E-02 0.6992 0 1
13300 B 103.09299 64.000 47.356 1.0000 0.0000 1.56250E-02 0.7002 0 1
13301 B 103.10000 64.000 47.356 1.0000 0.0000 1.56250E-02 0.7002 0 1
13302 B 103.10699 59.000 47.357 1.0000 0.0000 1.69492E-02 0.7002 0 1
13303 B 103.11401 61.000 47.358 1.0000 0.0000 1.63934E-02 0.7002 0 1
13304 B 103.12100 53.000 47.359 1.0000 0.0000 1.88679E-02 0.6992 0 1
13305 B 103.12799 53.000 47.360 1.0000 0.0000 1.88679E-02 0.7002 0 1
13306 B 103.13500 50.000 47.361 1.0000 0.0000 2.00000E-02 0.7002 0 1
13307 B 103.14199 62.000 47.361 1.0000 0.0000 1.61290E-02 0.7002 0 1
13308 B 103.14900 68.000 47.362 1.0000 0.0000 1.47059E-02 0.7002 0 1
13309 B 103.15601 63.000 47.363 1.0000 0.0000 1.58730E-02 0.6992 0 1
13310 B 103.16299 60.000 47.364 1.0000 0.0000 1.66667E-02 0.7002 0 1
13311 B 103.17000 60.000 47.365 1.0000 0.0000 1.66667E-02 0.7002 0 1
13312 B 103.17699 61.000 47.366 1.0000 0.0000 1.63934E-02 0.7002 0 1
13313 B 103.18401 59.000 47.367 1.0000 0.0000 1.69492E-02 0.7002 0 1
13314 B 103.19101 50.000 47.368 1.0000 0.0000 2.00000E-02 0.6992 0 1
13315 B 103.19799 55.000 47.368 1.0000 0.0000 1.81818E-02 0.7002 0 1
13316 B 103.20500 50.000 47.369 1.0000 0.0000 2.00000E-02 0.7002 0 1
13317 B 103.21199 53.000 47.370 1.0000 0.0000 1.88679E-02 0.7002 0 1
13318 B 103.21900 48.000 47.371 1.0000 0.0000 2.08333E-02 0.7002 0 1
13319 B 103.22601 52.000 47.372 1.0000 0.0000 1.92308E-02 0.6992 0 1
13320 B 103.23299 49.000 47.373 1.0000 0.0000 2.04082E-02 0.7002 0 1
13321 B 103.24000 64.000 47.374 1.0000 0.0000 1.56250E-02 0.7002 0 1
13322 B 103.24699 60.000 47.375 1.0000 0.0000 1.66667E-02 0.7002 0 1
13323 B 103.25401 59.000 47.376 1.0000 0.0000 1.69492E-02 0.7002 0 1
13324 B 103.26101 52.000 47.376 1.0000 0.0000 1.92308E-02 0.6992 0 1
13325 B 103.26799 49.000 47.377 1.0000 0.0000 2.04082E-02 0.7002 0 1
13326 B 103.27500 44.000 47.378 1.0000 0.0000 2.27273E-02 0.7002 0 1
13327 B 103.28199 55.000 47.379 1.0000 0.0000 1.81818E-02 0.7002 0 1
13328 B 103.28900 63.000 47.380 1.0000 0.0000 1.58730E-02 0.7002 0 1
13329 B 103.29601 66.000 47.381 1.0000 0.0000 1.51515E-02 0.6992 0 1
13330 B 103.30299 60.000 47.382 1.0000 0.0000 1.66667E-02 0.7002 0 1
13331 B 103.31000 55.000 47.383 1.0000 0.0000 1.81818E-02 0.7002 0 1
13332 B 103.31699 66.000 47.384 1.0000 0.0000 1.51515E-02 0.7002 0 1
13333 B 103.32401 61.000 47.385 1.0000 0.0000 1.63934E-02 0.7002 0 1
13334 B 103.33101 62.000 47.386 1.0000 0.0000 1.61290E-02 0.6992 0 1
13335 B 103.33799 59.000 47.387 1.0000 0.0000 1.69492E-02 0.7002 0 1
13336 B 103.34500 47.000 47.388 1.0000 0.0000 2.12766E-02 0.7002 0 1
13337 B 103.35199 62.000 47.389 1.0000 0.0000 1.61290E-02 0.7002 0 1
13338 B 103.35900 52.000 47.390 1.0000 0.0000 1.92308E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 236
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13339 B 103.36600 59.000 47.390 1.0000 0.0000 1.69492E-02 0.6992 0 1
13340 B 103.37299 56.000 47.391 1.0000 0.0000 1.78571E-02 0.7002 0 1
13341 B 103.38000 59.000 47.392 1.0000 0.0000 1.69492E-02 0.7002 0 1
13342 B 103.38699 55.000 47.393 1.0000 0.0000 1.81818E-02 0.7002 0 1
13343 B 103.39400 52.000 47.394 1.0000 0.0000 1.92308E-02 0.7002 0 1
13344 B 103.40101 54.000 47.395 1.0000 0.0000 1.85185E-02 0.6992 0 1
13345 B 103.40799 59.000 47.396 1.0000 0.0000 1.69492E-02 0.7002 0 1
13346 B 103.41500 62.000 47.397 1.0000 0.0000 1.61290E-02 0.7002 0 1
13347 B 103.42199 58.000 47.398 1.0000 0.0000 1.72414E-02 0.7002 0 1
13348 B 103.42900 58.000 47.399 1.0000 0.0000 1.72414E-02 0.7002 0 1
13349 B 103.43600 56.000 47.400 1.0000 0.0000 1.78571E-02 0.6992 0 1
13350 B 103.44299 47.000 47.401 1.0000 0.0000 2.12766E-02 0.7002 0 1
13351 B 103.45000 59.000 47.402 1.0000 0.0000 1.69492E-02 0.7002 0 1
13352 B 103.45699 56.000 47.403 1.0000 0.0000 1.78571E-02 0.7002 0 1
13353 . 103.46400 55.000 47.691 1.0000 0.0000 1.81818E-02 0.7002 73 1
13354 . 103.47101 50.000 47.708 1.0000 0.0000 2.00000E-02 0.6992 73 1
13355 . 103.47799 63.000 47.726 1.0000 0.0000 1.58730E-02 0.7002 73 1
13356 . 103.48500 57.000 47.746 1.0000 0.0000 1.75439E-02 0.7002 73 1
13357 . 103.49199 53.000 47.768 1.0000 0.0000 1.88679E-02 0.7002 73 1
13358 . 103.49900 53.000 47.791 1.0000 0.0000 1.88679E-02 0.7002 73 1
13359 . 103.50600 59.000 47.817 1.0000 0.0000 1.69492E-02 0.6992 73 1
13360 . 103.51299 64.000 47.845 1.0000 0.0000 1.56250E-02 0.7002 73 1
13361 . 103.52000 59.000 47.877 1.0000 0.0000 1.69492E-02 0.7002 73 1
13362 . 103.52699 64.000 47.911 1.0000 0.0000 1.56250E-02 0.7002 73 1
13363 . 103.53400 63.000 47.949 1.0000 0.0000 1.58730E-02 0.7002 73 1
13364 . 103.54101 55.000 47.991 1.0000 0.0000 1.81818E-02 0.6992 73 1
13365 . 103.54799 53.000 48.038 1.0000 0.0000 1.88679E-02 0.7002 73 1
13366 . 103.55500 68.000 48.091 1.0000 0.0000 1.47059E-02 0.7002 73 1
13367 . 103.56199 57.000 48.150 1.0000 0.0000 1.75439E-02 0.7002 73 1
13368 . 103.56900 57.000 48.217 1.0000 0.0000 1.75439E-02 0.7002 73 1
13369 . 103.57600 64.000 48.294 1.0000 0.0000 1.56250E-02 0.6992 73 1
13370 . 103.58298 55.000 48.382 1.0000 0.0000 1.81818E-02 0.7002 73 1
13371 . 103.59000 63.000 48.485 1.0000 0.0000 1.58730E-02 0.7002 73 1
13372 . 103.59699 66.000 48.606 1.0000 0.0000 1.51515E-02 0.7002 73 1
13373 . 103.60400 63.000 48.755 1.0000 0.0000 1.58730E-02 0.7002 73 1
13374 . 103.61101 50.000 48.943 1.0000 0.0000 2.00000E-02 0.6992 73 1
13375 . 103.61799 55.000 49.191 1.0000 0.0000 1.81818E-02 0.7002 73 1
13376 . 103.62500 59.000 49.534 1.0000 0.0000 1.69492E-02 0.7002 73 1
13377 . 103.63199 67.000 50.021 1.0000 0.0000 1.49254E-02 0.7002 73 1
13378 . 103.63901 59.000 50.729 1.0000 0.0000 1.69492E-02 0.7002 73 1
13379 . 103.64600 62.000 51.752 1.0000 0.0000 1.61290E-02 0.6992 73 1
13380 . 103.65298 56.000 53.203 1.0000 0.0000 1.78571E-02 0.7002 73 1
13381 . 103.66000 51.000 55.218 1.0000 0.0000 1.96078E-02 0.7002 73 1
13382 . 103.66699 57.000 57.887 1.0000 0.0000 1.75439E-02 0.7002 73 1
13383 . 103.67400 52.000 61.283 1.0000 0.0000 1.92308E-02 0.7002 73 1
13384 . 103.68101 51.000 65.360 1.0000 0.0000 1.96078E-02 0.6992 73 1
13385 . 103.68799 50.000 69.956 1.0000 0.0000 2.00000E-02 0.7002 73 1
13386 . 103.69500 60.000 74.795 1.0000 0.0000 1.66667E-02 0.7002 73 1
13387 . 103.70200 58.000 79.353 1.0000 0.0000 1.72414E-02 0.7002 73 1
13388 . 103.70901 63.000 82.987 1.0000 0.0000 1.58730E-02 0.7002 73 1
13389 .1 103.71600 62.000 84.955 1.0000 0.0000 1.61290E-02 0.6992 73 1
13390 . 103.72299 58.000 84.782 1.0000 0.0000 1.72414E-02 0.7002 73 1
13391 . 103.73000 70.000 82.507 1.0000 0.0000 1.42857E-02 0.7002 73 1
13392 . 103.73699 76.000 78.689 1.0000 0.0000 1.31579E-02 0.7002 73 1
13393 . 103.74400 59.000 74.037 1.0000 0.0000 1.69492E-02 0.7002 73 1
13394 . 103.75101 51.000 69.215 1.0000 0.0000 1.96078E-02 0.6992 73 1
13395 . 103.75799 66.000 64.689 1.0000 0.0000 1.51515E-02 0.7002 73 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 237
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13396 . 103.76500 62.000 60.710 1.0000 0.0000 1.61290E-02 0.7002 73 1
13397 . 103.77200 58.000 57.440 1.0000 0.0000 1.72414E-02 0.7002 73 1
13398 . 103.77901 60.000 54.875 1.0000 0.0000 1.66667E-02 0.7002 73 1
13399 . 103.78600 49.000 52.961 1.0000 0.0000 2.04082E-02 0.6992 73 1
13400 . 103.79299 64.000 51.588 1.0000 0.0000 1.56250E-02 0.7002 73 1
13401 . 103.80000 67.000 50.624 1.0000 0.0000 1.49254E-02 0.7002 73 1
13402 . 103.80699 64.000 49.961 1.0000 0.0000 1.56250E-02 0.7002 73 1
13403 . 103.81400 57.000 49.502 1.0000 0.0000 1.75439E-02 0.7002 73 1
13404 . 103.82101 56.000 49.179 1.0000 0.0000 1.78571E-02 0.6992 73 1
13405 . 103.82799 66.000 49.093 1.0000 0.0000 1.51515E-02 0.7002 73 2
13406 . 103.83500 60.000 48.922 1.0000 0.0000 1.66667E-02 0.7002 73 2
13407 . 103.84200 60.000 48.790 1.0000 0.0000 1.66667E-02 0.7002 73 2
13408 . 103.84901 61.000 48.684 1.0000 0.0000 1.63934E-02 0.7002 73 2
13409 . 103.85600 59.000 48.597 1.0000 0.0000 1.69492E-02 0.6992 73 2
13410 . 103.86299 61.000 48.525 1.0000 0.0000 1.63934E-02 0.7002 73 2
13411 . 103.87000 49.000 48.465 1.0000 0.0000 2.04082E-02 0.7002 73 2
13412 . 103.87699 63.000 48.432 1.0000 0.0000 1.58730E-02 0.7002 73 3
13413 . 103.88400 61.000 48.392 1.0000 0.0000 1.63934E-02 0.7002 73 3
13414 . 103.89101 56.000 48.361 1.0000 0.0000 1.78571E-02 0.6992 73 3
13415 . 103.89799 61.000 48.338 1.0000 0.0000 1.63934E-02 0.7002 73 3
13416 . 103.90500 61.000 48.321 1.0000 0.0000 1.63934E-02 0.7002 73 3
13417 . 103.91199 50.000 48.312 1.0000 0.0000 2.00000E-02 0.7002 73 3
13418 . 103.91901 69.000 48.309 1.0000 0.0000 1.44928E-02 0.7002 73 3
13419 . 103.92600 68.000 48.313 1.0000 0.0000 1.47059E-02 0.6992 73 3
13420 . 103.93299 55.000 48.325 1.0000 0.0000 1.81818E-02 0.7002 73 3
13421 . 103.94000 59.000 48.344 1.0000 0.0000 1.69492E-02 0.7002 73 3
13422 . 103.94699 63.000 48.372 1.0000 0.0000 1.58730E-02 0.7002 73 3
13423 . 103.95400 55.000 48.410 1.0000 0.0000 1.81818E-02 0.7002 73 3
13424 . 103.96101 42.000 48.462 1.0000 0.0000 2.38095E-02 0.6992 73 3
13425 . 103.96799 53.000 48.531 1.0000 0.0000 1.88679E-02 0.7002 73 3
13426 . 103.97500 59.000 48.343 1.0000 0.0000 1.69492E-02 0.7002 74 2
13427 . 103.98199 44.000 48.493 1.0000 0.0000 2.27273E-02 0.7002 74 2
13428 . 103.98901 58.000 48.702 1.0000 0.0000 1.72414E-02 0.7002 74 2
13429 . 103.99600 57.000 49.000 1.0000 0.0000 1.75439E-02 0.6992 74 2
13430 . 104.00299 56.000 49.430 1.0000 0.0000 1.78571E-02 0.7002 74 2
13431 . 104.01000 59.000 50.048 1.0000 0.0000 1.69492E-02 0.7002 74 2
13432 . 104.01699 53.000 50.911 1.0000 0.0000 1.88679E-02 0.7002 74 2
13433 . 104.02400 67.000 52.083 1.0000 0.0000 1.49254E-02 0.7002 74 2
13434 . 104.03101 53.000 53.603 1.0000 0.0000 1.88679E-02 0.6992 74 2
13435 . 104.03799 53.000 55.477 1.0000 0.0000 1.88679E-02 0.7002 74 2
13436 . 104.04500 61.000 57.679 1.0000 0.0000 1.63934E-02 0.7002 74 2
13437 . 104.05199 66.000 60.087 1.0000 0.0000 1.51515E-02 0.7002 74 2
13438 . 104.05901 70.000 62.523 1.0000 0.0000 1.42857E-02 0.7002 74 2
13439 . 104.06601 69.000 64.696 1.0000 0.0000 1.44928E-02 0.6992 74 2
13440 .1 104.07299 69.000 66.255 1.0000 0.0000 1.44928E-02 0.7002 74 2
13441 . 104.08000 70.000 66.891 1.0000 0.0000 1.42857E-02 0.7002 74 2
13442 . 104.08699 62.000 66.475 1.0000 0.0000 1.61290E-02 0.7002 74 2
13443 . 104.09400 46.000 65.155 1.0000 0.0000 2.17391E-02 0.7002 74 2
13444 . 104.10101 89.000 63.263 1.0000 0.0000 1.12360E-02 0.6992 74 2
13445 . 104.10799 67.000 61.141 1.0000 0.0000 1.49254E-02 0.7002 74 2
13446 . 104.11500 59.000 59.026 1.0000 0.0000 1.69492E-02 0.7002 74 2
13447 . 104.12199 63.000 57.082 1.0000 0.0000 1.58730E-02 0.7002 74 2
13448 .1 104.12901 61.000 55.365 1.0000 0.0000 1.63934E-02 0.7002 74 2
13449 . 104.13601 53.000 53.893 1.0000 0.0000 1.88679E-02 0.6992 74 2
13450 . 104.14299 55.000 52.654 1.0000 0.0000 1.81818E-02 0.7002 74 2
13451 . 104.15000 58.000 51.632 1.0000 0.0000 1.72414E-02 0.7002 74 3
13452 . 104.15699 57.000 50.799 1.0000 0.0000 1.75439E-02 0.7002 74 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 238
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13453 . 104.16400 54.000 50.133 1.0000 0.0000 1.85185E-02 0.7002 74 3
13454 . 104.17101 64.000 49.609 1.0000 0.0000 1.56250E-02 0.6992 74 3
13455 . 104.17799 56.000 49.202 1.0000 0.0000 1.78571E-02 0.7002 74 3
13456 . 104.18500 71.000 48.885 1.0000 0.0000 1.40845E-02 0.7002 74 3
13457 . 104.19199 60.000 48.644 1.0000 0.0000 1.66667E-02 0.7002 74 3
13458 . 104.19901 53.000 48.460 1.0000 0.0000 1.88679E-02 0.7002 74 3
13459 . 104.20601 54.000 48.322 1.0000 0.0000 1.85185E-02 0.6992 74 3
13460 . 104.21299 56.000 48.217 1.0000 0.0000 1.78571E-02 0.7002 74 3
13461 . 104.22000 70.000 48.136 1.0000 0.0000 1.42857E-02 0.7002 74 3
13462 . 104.22699 58.000 48.074 1.0000 0.0000 1.72414E-02 0.7002 74 3
13463 . 104.23400 45.000 48.023 1.0000 0.0000 2.22222E-02 0.7002 74 3
13464 . 104.24100 57.000 47.990 1.0000 0.0000 1.75439E-02 0.6992 74 4
13465 . 104.24799 58.000 47.957 1.0000 0.0000 1.72414E-02 0.7002 74 4
13466 . 104.25500 60.000 47.928 1.0000 0.0000 1.66667E-02 0.7002 74 4
13467 . 104.26199 66.000 47.904 1.0000 0.0000 1.51515E-02 0.7002 74 4
13468 . 104.26900 61.000 47.884 1.0000 0.0000 1.63934E-02 0.7002 74 4
13469 . 104.27601 55.000 47.866 1.0000 0.0000 1.81818E-02 0.6992 74 4
13470 . 104.28299 59.000 47.852 1.0000 0.0000 1.69492E-02 0.7002 74 4
13471 . 104.29000 60.000 47.840 1.0000 0.0000 1.66667E-02 0.7002 74 4
13472 . 104.29699 62.000 47.832 1.0000 0.0000 1.61290E-02 0.7002 74 4
13473 . 104.30400 69.000 47.826 1.0000 0.0000 1.44928E-02 0.7002 74 4
13474 . 104.31100 54.000 47.825 1.0000 0.0000 1.85185E-02 0.6992 74 4
13475 . 104.31799 69.000 47.828 1.0000 0.0000 1.44928E-02 0.7002 74 4
13476 . 104.32500 71.000 47.839 1.0000 0.0000 1.40845E-02 0.7002 74 4
13477 . 104.33199 54.000 47.712 1.0000 0.0000 1.85185E-02 0.7002 75 3
13478 . 104.33900 55.000 47.753 1.0000 0.0000 1.81818E-02 0.7002 75 3
13479 . 104.34601 59.000 47.809 1.0000 0.0000 1.69492E-02 0.6992 75 3
13480 . 104.35299 63.000 47.883 1.0000 0.0000 1.58730E-02 0.7002 75 3
13481 . 104.36000 64.000 47.976 1.0000 0.0000 1.56250E-02 0.7002 75 3
13482 . 104.36699 67.000 48.088 1.0000 0.0000 1.49254E-02 0.7002 75 3
13483 . 104.37400 66.000 48.214 1.0000 0.0000 1.51515E-02 0.7002 75 3
13484 . 104.38100 68.000 48.347 1.0000 0.0000 1.47059E-02 0.6992 75 3
13485 . 104.38799 70.000 48.459 1.0000 0.0000 1.42857E-02 0.7002 76 2
13486 . 104.39500 59.000 48.564 1.0000 0.0000 1.69492E-02 0.7002 76 2
13487 .1 104.40199 68.000 48.628 1.0000 0.0000 1.47059E-02 0.7002 76 2
13488 . 104.40900 67.000 48.639 1.0000 0.0000 1.49254E-02 0.7002 76 2
13489 . 104.41601 61.000 48.601 1.0000 0.0000 1.63934E-02 0.6992 76 2
13490 . 104.42299 59.000 48.530 1.0000 0.0000 1.69492E-02 0.7002 76 2
13491 . 104.43000 59.000 48.448 1.0000 0.0000 1.69492E-02 0.7002 76 2
13492 . 104.43699 60.000 48.377 1.0000 0.0000 1.66667E-02 0.7002 76 2
13493 . 104.44400 56.000 48.330 1.0000 0.0000 1.78571E-02 0.7002 76 2
13494 . 104.45100 60.000 48.317 1.0000 0.0000 1.66667E-02 0.6992 76 2
13495 . 104.45798 61.000 48.399 1.0000 0.0000 1.63934E-02 0.7002 76 3
13496 . 104.46500 71.000 48.458 1.0000 0.0000 1.40845E-02 0.7002 76 3
13497 . 104.47199 60.000 48.540 1.0000 0.0000 1.66667E-02 0.7002 76 3
13498 . 104.47900 51.000 48.628 1.0000 0.0000 1.96078E-02 0.7002 76 3
13499 . 104.48601 65.000 48.701 1.0000 0.0000 1.53846E-02 0.6992 76 3
13500 .1 104.49299 62.000 48.738 1.0000 0.0000 1.61290E-02 0.7002 76 3
13501 . 104.50000 60.000 48.724 1.0000 0.0000 1.66667E-02 0.7002 76 3
13502 . 104.50699 53.000 48.659 1.0000 0.0000 1.88679E-02 0.7002 76 3
13503 . 104.51401 56.000 48.561 1.0000 0.0000 1.78571E-02 0.7002 76 4
13504 . 104.52100 69.000 48.440 1.0000 0.0000 1.44928E-02 0.6992 76 4
13505 . 104.52798 70.000 48.317 1.0000 0.0000 1.42857E-02 0.7002 76 4
13506 . 104.53500 56.000 48.203 1.0000 0.0000 1.78571E-02 0.7002 76 4
13507 . 104.54199 72.000 48.105 1.0000 0.0000 1.38889E-02 0.7002 76 4
13508 . 104.54900 68.000 48.028 1.0000 0.0000 1.47059E-02 0.7002 76 4
13509 . 104.55601 68.000 47.971 1.0000 0.0000 1.47059E-02 0.6992 76 4
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 239
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13510 . 104.56299 65.000 47.933 1.0000 0.0000 1.53846E-02 0.7002 76 4
13511 . 104.57000 67.000 47.912 1.0000 0.0000 1.49254E-02 0.7002 76 4
13512 . 104.57700 67.000 47.903 1.0000 0.0000 1.49254E-02 0.7002 76 4
13513 . 104.58401 67.000 47.906 1.0000 0.0000 1.49254E-02 0.7002 76 4
13514 . 104.59100 60.000 47.918 1.0000 0.0000 1.66667E-02 0.6992 76 4
13515 . 104.59799 60.000 47.939 1.0000 0.0000 1.66667E-02 0.7002 76 4
13516 . 104.60500 78.000 47.969 1.0000 0.0000 1.28205E-02 0.7002 76 4
13517 . 104.61199 58.000 48.012 1.0000 0.0000 1.72414E-02 0.7002 76 4
13518 . 104.61900 63.000 48.073 1.0000 0.0000 1.58730E-02 0.7002 76 4
13519 . 104.62601 57.000 48.160 1.0000 0.0000 1.75439E-02 0.6992 76 4
13520 . 104.63299 78.000 48.286 1.0000 0.0000 1.28205E-02 0.7002 76 4
13521 . 104.64000 71.000 48.470 1.0000 0.0000 1.40845E-02 0.7002 76 4
13522 . 104.64700 61.000 48.734 1.0000 0.0000 1.63934E-02 0.7002 76 4
13523 . 104.65401 61.000 49.102 1.0000 0.0000 1.63934E-02 0.7002 76 4
13524 . 104.66100 62.000 49.589 1.0000 0.0000 1.61290E-02 0.6992 77 3
13525 . 104.66799 65.000 50.225 1.0000 0.0000 1.53846E-02 0.7002 77 3
13526 . 104.67500 72.000 51.007 1.0000 0.0000 1.38889E-02 0.7002 77 3
13527 . 104.68199 72.000 51.910 1.0000 0.0000 1.38889E-02 0.7002 77 3
13528 . 104.68900 75.000 52.890 1.0000 0.0000 1.33333E-02 0.7002 77 3
13529 . 104.69601 65.000 53.862 1.0000 0.0000 1.53846E-02 0.6992 77 3
13530 . 104.70299 69.000 54.706 1.0000 0.0000 1.44928E-02 0.7002 77 3
13531 .1 104.71000 72.000 55.283 1.0000 0.0000 1.38889E-02 0.7002 77 3
13532 . 104.71700 67.000 55.465 1.0000 0.0000 1.49254E-02 0.7002 77 3
13533 . 104.72401 59.000 55.217 1.0000 0.0000 1.69492E-02 0.7002 77 3
13534 . 104.73100 61.000 54.612 1.0000 0.0000 1.63934E-02 0.6992 77 3
13535 . 104.73799 71.000 53.789 1.0000 0.0000 1.40845E-02 0.7002 77 3
13536 . 104.74500 71.000 52.879 1.0000 0.0000 1.40845E-02 0.7002 77 3
13537 . 104.75199 64.000 51.983 1.0000 0.0000 1.56250E-02 0.7002 78 2
13538 . 104.75900 61.000 51.173 1.0000 0.0000 1.63934E-02 0.7002 78 2
13539 .1 104.76601 58.000 50.476 1.0000 0.0000 1.72414E-02 0.6992 78 2
13540 . 104.77299 64.000 49.896 1.0000 0.0000 1.56250E-02 0.7002 78 2
13541 . 104.78000 68.000 49.424 1.0000 0.0000 1.47059E-02 0.7002 78 2
13542 . 104.78699 81.000 49.050 1.0000 0.0000 1.23457E-02 0.7002 78 2
13543 . 104.79401 79.000 48.757 1.0000 0.0000 1.26582E-02 0.7002 78 2
13544 . 104.80100 71.000 48.532 1.0000 0.0000 1.40845E-02 0.6992 78 2
13545 . 104.80799 72.000 48.360 1.0000 0.0000 1.38889E-02 0.7002 78 2
13546 . 104.81500 59.000 48.228 1.0000 0.0000 1.69492E-02 0.7002 78 2
13547 . 104.82199 75.000 48.128 1.0000 0.0000 1.33333E-02 0.7002 78 2
13548 . 104.82900 83.000 48.082 1.0000 0.0000 1.20482E-02 0.7002 78 3
13549 . 104.83601 64.000 48.025 1.0000 0.0000 1.56250E-02 0.6992 78 3
13550 . 104.84299 74.000 47.982 1.0000 0.0000 1.35135E-02 0.7002 78 3
13551 . 104.85000 65.000 47.949 1.0000 0.0000 1.53846E-02 0.7002 78 3
13552 . 104.85699 48.000 47.924 1.0000 0.0000 2.08333E-02 0.7002 78 3
13553 . 104.86401 71.000 47.905 1.0000 0.0000 1.40845E-02 0.7002 78 3
13554 . 104.87100 69.000 47.890 1.0000 0.0000 1.44928E-02 0.6992 78 3
13555 . 104.87799 77.000 47.879 1.0000 0.0000 1.29870E-02 0.7002 78 3
13556 . 104.88500 80.000 47.870 1.0000 0.0000 1.25000E-02 0.7002 78 3
13557 . 104.89199 62.000 47.863 1.0000 0.0000 1.61290E-02 0.7002 78 3
13558 . 104.89900 71.000 47.858 1.0000 0.0000 1.40845E-02 0.7002 78 3
13559 . 104.90601 73.000 47.855 1.0000 0.0000 1.36986E-02 0.6992 78 3
13560 . 104.91299 63.000 47.853 1.0000 0.0000 1.58730E-02 0.7002 78 3
13561 . 104.92000 70.000 47.853 1.0000 0.0000 1.42857E-02 0.7002 78 3
13562 . 104.92699 80.000 47.854 1.0000 0.0000 1.25000E-02 0.7002 78 3
13563 . 104.93401 74.000 47.856 1.0000 0.0000 1.35135E-02 0.7002 78 3
13564 . 104.94101 57.000 47.861 1.0000 0.0000 1.75439E-02 0.6992 78 3
13565 . 104.94799 63.000 47.867 1.0000 0.0000 1.58730E-02 0.7002 78 3
13566 . 104.95500 70.000 47.874 1.0000 0.0000 1.42857E-02 0.7002 78 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 240
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13567 . 104.96199 63.000 47.885 1.0000 0.0000 1.58730E-02 0.7002 78 3
13568 . 104.96900 76.000 47.838 1.0000 0.0000 1.31579E-02 0.7002 79 2
13569 . 104.97601 70.000 47.860 1.0000 0.0000 1.42857E-02 0.6992 79 2
13570 . 104.98299 64.000 47.889 1.0000 0.0000 1.56250E-02 0.7002 79 2
13571 . 104.99000 68.000 47.928 1.0000 0.0000 1.47059E-02 0.7002 79 2
13572 . 104.99699 74.000 47.984 1.0000 0.0000 1.35135E-02 0.7002 79 2
13573 . 105.00401 71.000 48.064 1.0000 0.0000 1.40845E-02 0.7002 79 2
13574 . 105.01101 64.000 48.178 1.0000 0.0000 1.56250E-02 0.6992 79 2
13575 . 105.01799 66.000 48.337 1.0000 0.0000 1.51515E-02 0.7002 79 2
13576 . 105.02500 80.000 48.552 1.0000 0.0000 1.25000E-02 0.7002 80 1
13577 . 105.03199 76.000 48.837 1.0000 0.0000 1.31579E-02 0.7002 80 1
13578 . 105.03900 74.000 49.195 1.0000 0.0000 1.35135E-02 0.7002 80 1
13579 . 105.04601 89.000 49.619 1.0000 0.0000 1.12360E-02 0.6992 80 1
13580 . 105.05299 69.000 50.090 1.0000 0.0000 1.44928E-02 0.7002 80 1
13581 . 105.06000 71.000 50.578 1.0000 0.0000 1.40845E-02 0.7002 80 1
13582 . 105.06699 72.000 51.029 1.0000 0.0000 1.38889E-02 0.7002 80 1
13583 . 105.07401 63.000 51.377 1.0000 0.0000 1.58730E-02 0.7002 80 1
13584 .1 105.08101 70.000 51.549 1.0000 0.0000 1.42857E-02 0.6992 80 1
13585 . 105.08799 69.000 51.506 1.0000 0.0000 1.44928E-02 0.7002 80 1
13586 . 105.09500 66.000 51.257 1.0000 0.0000 1.51515E-02 0.7002 80 1
13587 . 105.10199 63.000 50.862 1.0000 0.0000 1.58730E-02 0.7002 80 1
13588 . 105.10900 61.000 50.391 1.0000 0.0000 1.63934E-02 0.7002 80 1
13589 . 105.11600 72.000 49.907 1.0000 0.0000 1.38889E-02 0.6992 80 1
13590 . 105.12299 79.000 49.457 1.0000 0.0000 1.26582E-02 0.7002 80 1
13591 . 105.13000 68.000 49.062 1.0000 0.0000 1.47059E-02 0.7002 80 1
13592 . 105.13699 64.000 48.738 1.0000 0.0000 1.56250E-02 0.7002 80 1
13593 . 105.14400 77.000 48.484 1.0000 0.0000 1.29870E-02 0.7002 80 1
13594 . 105.15101 74.000 48.294 1.0000 0.0000 1.35135E-02 0.6992 80 1
13595 . 105.15799 69.000 48.158 1.0000 0.0000 1.44928E-02 0.7002 80 1
13596 . 105.16500 78.000 48.062 1.0000 0.0000 1.28205E-02 0.7002 80 1
13597 . 105.17199 72.000 47.997 1.0000 0.0000 1.38889E-02 0.7002 80 1
13598 . 105.17900 64.000 47.952 1.0000 0.0000 1.56250E-02 0.7002 80 1
13599 . 105.18600 82.000 47.920 1.0000 0.0000 1.21951E-02 0.6992 80 1
13600 . 105.19299 73.000 47.898 1.0000 0.0000 1.36986E-02 0.7002 80 1
13601 . 105.20000 70.000 47.881 1.0000 0.0000 1.42857E-02 0.7002 80 1
13602 . 105.20699 80.000 47.868 1.0000 0.0000 1.25000E-02 0.7002 80 1
13603 . 105.21400 87.000 47.858 1.0000 0.0000 1.14943E-02 0.7002 80 1
13604 . 105.22101 77.000 47.850 1.0000 0.0000 1.29870E-02 0.6992 80 1
13605 . 105.22799 69.000 47.843 1.0000 0.0000 1.44928E-02 0.7002 80 1
13606 . 105.23500 66.000 47.837 1.0000 0.0000 1.51515E-02 0.7002 80 1
13607 . 105.24199 67.000 47.832 1.0000 0.0000 1.49254E-02 0.7002 80 1
13608 . 105.24900 64.000 47.828 1.0000 0.0000 1.56250E-02 0.7002 80 1
13609 . 105.25600 74.000 47.824 1.0000 0.0000 1.35135E-02 0.6992 80 1
13610 . 105.26299 80.000 47.821 1.0000 0.0000 1.25000E-02 0.7002 80 1
13611 . 105.27000 78.000 47.819 1.0000 0.0000 1.28205E-02 0.7002 80 1
13612 . 105.27699 77.000 47.817 1.0000 0.0000 1.29870E-02 0.7002 80 1
13613 . 105.28400 62.000 47.815 1.0000 0.0000 1.61290E-02 0.7002 80 1
13614 . 105.29101 70.000 47.814 1.0000 0.0000 1.42857E-02 0.6992 80 1
13615 . 105.29799 77.000 47.813 1.0000 0.0000 1.29870E-02 0.7002 80 1
13616 . 105.30500 62.000 47.812 1.0000 0.0000 1.61290E-02 0.7002 80 1
13617 . 105.31199 66.000 47.812 1.0000 0.0000 1.51515E-02 0.7002 80 1
13618 . 105.31900 72.000 47.812 1.0000 0.0000 1.38889E-02 0.7002 80 1
13619 . 105.32600 65.000 47.811 1.0000 0.0000 1.53846E-02 0.6992 80 1
13620 . 105.33298 64.000 47.811 1.0000 0.0000 1.56250E-02 0.7002 80 1
13621 B 105.34000 66.000 47.782 1.0000 0.0000 1.51515E-02 0.7002 0 1
13622 B 105.34699 78.000 47.784 1.0000 0.0000 1.28205E-02 0.7002 0 1
13623 B 105.35400 65.000 47.786 1.0000 0.0000 1.53846E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 241
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13624 B 105.36101 64.000 47.787 1.0000 0.0000 1.56250E-02 0.6992 0 1
13625 B 105.36799 88.000 47.789 1.0000 0.0000 1.13636E-02 0.7002 0 1
13626 B 105.37500 68.000 47.791 1.0000 0.0000 1.47059E-02 0.7002 0 1
13627 B 105.38199 64.000 47.793 1.0000 0.0000 1.56250E-02 0.7002 0 1
13628 B 105.38901 57.000 47.795 1.0000 0.0000 1.75439E-02 0.7002 0 1
13629 B 105.39600 72.000 47.797 1.0000 0.0000 1.38889E-02 0.6992 0 1
13630 B 105.40298 72.000 47.799 1.0000 0.0000 1.38889E-02 0.7002 0 1
13631 B 105.41000 71.000 47.800 1.0000 0.0000 1.40845E-02 0.7002 0 1
13632 B 105.41699 76.000 47.802 1.0000 0.0000 1.31579E-02 0.7002 0 1
13633 B 105.42400 87.000 47.804 1.0000 0.0000 1.14943E-02 0.7002 0 1
13634 B 105.43101 73.000 47.806 1.0000 0.0000 1.36986E-02 0.6992 0 1
13635 B 105.43799 74.000 47.808 1.0000 0.0000 1.35135E-02 0.7002 0 1
13636 B 105.44500 79.000 47.810 1.0000 0.0000 1.26582E-02 0.7002 0 1
13637 B 105.45200 78.000 47.812 1.0000 0.0000 1.28205E-02 0.7002 0 1
13638 B 105.45901 69.000 47.813 1.0000 0.0000 1.44928E-02 0.7002 0 1
13639 B 105.46600 68.000 47.815 1.0000 0.0000 1.47059E-02 0.6992 0 1
13640 B 105.47299 81.000 47.817 1.0000 0.0000 1.23457E-02 0.7002 0 1
13641 B 105.48000 64.000 47.819 1.0000 0.0000 1.56250E-02 0.7002 0 1
13642 B 105.48699 69.000 47.821 1.0000 0.0000 1.44928E-02 0.7002 0 1
13643 B 105.49400 75.000 47.823 1.0000 0.0000 1.33333E-02 0.7002 0 1
13644 B 105.50101 88.000 47.825 1.0000 0.0000 1.13636E-02 0.6992 0 1
13645 B 105.50799 62.000 47.827 1.0000 0.0000 1.61290E-02 0.7002 0 1
13646 B 105.51500 64.000 47.829 1.0000 0.0000 1.56250E-02 0.7002 0 1
13647 B 105.52200 63.000 47.830 1.0000 0.0000 1.58730E-02 0.7002 0 1
13648 B 105.52901 69.000 47.832 1.0000 0.0000 1.44928E-02 0.7002 0 1
13649 B 105.53600 81.000 47.834 1.0000 0.0000 1.23457E-02 0.6992 0 1
13650 B 105.54299 81.000 47.836 1.0000 0.0000 1.23457E-02 0.7002 0 1
13651 B 105.55000 86.000 47.838 1.0000 0.0000 1.16279E-02 0.7002 0 1
13652 B 105.55699 77.000 47.840 1.0000 0.0000 1.29870E-02 0.7002 0 1
13653 B 105.56400 66.000 47.842 1.0000 0.0000 1.51515E-02 0.7002 0 1
13654 B 105.57101 64.000 47.844 1.0000 0.0000 1.56250E-02 0.6992 0 1
13655 B 105.57799 61.000 47.846 1.0000 0.0000 1.63934E-02 0.7002 0 1
13656 B 105.58500 62.000 47.848 1.0000 0.0000 1.61290E-02 0.7002 0 1
13657 B 105.59200 76.000 47.850 1.0000 0.0000 1.31579E-02 0.7002 0 1
13658 B 105.59901 67.000 47.852 1.0000 0.0000 1.49254E-02 0.7002 0 1
13659 B 105.60600 74.000 47.853 1.0000 0.0000 1.35135E-02 0.6992 0 1
13660 B 105.61299 81.000 47.855 1.0000 0.0000 1.23457E-02 0.7002 0 1
13661 B 105.62000 77.000 47.857 1.0000 0.0000 1.29870E-02 0.7002 0 1
13662 B 105.62699 60.000 47.859 1.0000 0.0000 1.66667E-02 0.7002 0 1
13663 B 105.63400 74.000 47.861 1.0000 0.0000 1.35135E-02 0.7002 0 1
13664 B 105.64101 73.000 47.863 1.0000 0.0000 1.36986E-02 0.6992 0 1
13665 B 105.64799 71.000 47.865 1.0000 0.0000 1.40845E-02 0.7002 0 1
13666 B 105.65500 68.000 47.867 1.0000 0.0000 1.47059E-02 0.7002 0 1
13667 B 105.66199 75.000 47.869 1.0000 0.0000 1.33333E-02 0.7002 0 1
13668 B 105.66901 72.000 47.871 1.0000 0.0000 1.38889E-02 0.7002 0 1
13669 B 105.67600 64.000 47.873 1.0000 0.0000 1.56250E-02 0.6992 0 1
13670 B 105.68299 72.000 47.875 1.0000 0.0000 1.38889E-02 0.7002 0 1
13671 B 105.69000 70.000 47.877 1.0000 0.0000 1.42857E-02 0.7002 0 1
13672 B 105.69699 74.000 47.879 1.0000 0.0000 1.35135E-02 0.7002 0 1
13673 B 105.70400 69.000 47.881 1.0000 0.0000 1.44928E-02 0.7002 0 1
13674 B 105.71101 72.000 47.883 1.0000 0.0000 1.38889E-02 0.6992 0 1
13675 B 105.71799 77.000 47.885 1.0000 0.0000 1.29870E-02 0.7002 0 1
13676 B 105.72500 68.000 47.887 1.0000 0.0000 1.47059E-02 0.7002 0 1
13677 B 105.73199 81.000 47.889 1.0000 0.0000 1.23457E-02 0.7002 0 1
13678 B 105.73901 68.000 47.891 1.0000 0.0000 1.47059E-02 0.7002 0 1
13679 B 105.74600 62.000 47.893 1.0000 0.0000 1.61290E-02 0.6992 0 1
13680 B 105.75299 80.000 47.895 1.0000 0.0000 1.25000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 242
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13681 B 105.76000 80.000 47.897 1.0000 0.0000 1.25000E-02 0.7002 0 1
13682 B 105.76699 70.000 47.899 1.0000 0.0000 1.42857E-02 0.7002 0 1
13683 B 105.77400 63.000 47.901 1.0000 0.0000 1.58730E-02 0.7002 0 1
13684 B 105.78101 71.000 47.903 1.0000 0.0000 1.40845E-02 0.6992 0 1
13685 B 105.78799 82.000 47.905 1.0000 0.0000 1.21951E-02 0.7002 0 1
13686 B 105.79500 82.000 47.907 1.0000 0.0000 1.21951E-02 0.7002 0 1
13687 B 105.80199 73.000 47.909 1.0000 0.0000 1.36986E-02 0.7002 0 1
13688 B 105.80901 69.000 47.911 1.0000 0.0000 1.44928E-02 0.7002 0 1
13689 B 105.81601 62.000 47.913 1.0000 0.0000 1.61290E-02 0.6992 0 1
13690 B 105.82299 76.000 47.915 1.0000 0.0000 1.31579E-02 0.7002 0 1
13691 B 105.83000 72.000 47.917 1.0000 0.0000 1.38889E-02 0.7002 0 1
13692 B 105.83699 70.000 47.919 1.0000 0.0000 1.42857E-02 0.7002 0 1
13693 B 105.84400 79.000 47.921 1.0000 0.0000 1.26582E-02 0.7002 0 1
13694 B 105.85101 76.000 47.923 1.0000 0.0000 1.31579E-02 0.6992 0 1
13695 B 105.85799 72.000 47.925 1.0000 0.0000 1.38889E-02 0.7002 0 1
13696 B 105.86500 66.000 47.927 1.0000 0.0000 1.51515E-02 0.7002 0 1
13697 B 105.87199 66.000 47.929 1.0000 0.0000 1.51515E-02 0.7002 0 1
13698 B 105.87901 80.000 47.931 1.0000 0.0000 1.25000E-02 0.7002 0 1
13699 B 105.88601 87.000 47.933 1.0000 0.0000 1.14943E-02 0.6992 0 1
13700 B 105.89299 79.000 47.936 1.0000 0.0000 1.26582E-02 0.7002 0 1
13701 B 105.90000 67.000 47.938 1.0000 0.0000 1.49254E-02 0.7002 0 1
13702 B 105.90699 75.000 47.940 1.0000 0.0000 1.33333E-02 0.7002 0 1
13703 B 105.91400 65.000 47.942 1.0000 0.0000 1.53846E-02 0.7002 0 1
13704 B 105.92101 81.000 47.944 1.0000 0.0000 1.23457E-02 0.6992 0 1
13705 B 105.92799 64.000 47.946 1.0000 0.0000 1.56250E-02 0.7002 0 1
13706 B 105.93500 95.000 47.948 1.0000 0.0000 1.05263E-02 0.7002 0 1
13707 B 105.94199 77.000 47.950 1.0000 0.0000 1.29870E-02 0.7002 0 1
13708 B 105.94901 78.000 47.952 1.0000 0.0000 1.28205E-02 0.7002 0 1
13709 B 105.95601 81.000 47.954 1.0000 0.0000 1.23457E-02 0.6992 0 1
13710 B 105.96299 70.000 47.956 1.0000 0.0000 1.42857E-02 0.7002 0 1
13711 B 105.97000 76.000 47.958 1.0000 0.0000 1.31579E-02 0.7002 0 1
13712 B 105.97699 80.000 47.961 1.0000 0.0000 1.25000E-02 0.7002 0 1
13713 B 105.98400 79.000 47.963 1.0000 0.0000 1.26582E-02 0.7002 0 1
13714 B 105.99100 71.000 47.965 1.0000 0.0000 1.40845E-02 0.6992 0 1
13715 B 105.99799 73.000 47.967 1.0000 0.0000 1.36986E-02 0.7002 0 1
13716 B 106.00500 79.000 47.969 1.0000 0.0000 1.26582E-02 0.7002 0 1
13717 B 106.01199 81.000 47.971 1.0000 0.0000 1.23457E-02 0.7002 0 1
13718 B 106.01900 91.000 47.973 1.0000 0.0000 1.09890E-02 0.7002 0 1
13719 B 106.02601 78.000 47.975 1.0000 0.0000 1.28205E-02 0.6992 0 1
13720 B 106.03299 62.000 47.977 1.0000 0.0000 1.61290E-02 0.7002 0 1
13721 B 106.04000 73.000 47.980 1.0000 0.0000 1.36986E-02 0.7002 0 1
13722 B 106.04699 77.000 47.982 1.0000 0.0000 1.29870E-02 0.7002 0 1
13723 B 106.05400 66.000 47.984 1.0000 0.0000 1.51515E-02 0.7002 0 1
13724 B 106.06100 55.000 47.986 1.0000 0.0000 1.81818E-02 0.6992 0 1
13725 B 106.06799 64.000 47.988 1.0000 0.0000 1.56250E-02 0.7002 0 1
13726 B 106.07500 63.000 47.990 1.0000 0.0000 1.58730E-02 0.7002 0 1
13727 B 106.08199 74.000 47.992 1.0000 0.0000 1.35135E-02 0.7002 0 1
13728 B 106.08900 77.000 47.995 1.0000 0.0000 1.29870E-02 0.7002 0 1
13729 B 106.09601 73.000 47.997 1.0000 0.0000 1.36986E-02 0.6992 0 1
13730 B 106.10299 75.000 47.999 1.0000 0.0000 1.33333E-02 0.7002 0 1
13731 B 106.11000 75.000 48.001 1.0000 0.0000 1.33333E-02 0.7002 0 1
13732 B 106.11699 71.000 48.003 1.0000 0.0000 1.40845E-02 0.7002 0 1
13733 B 106.12400 84.000 48.005 1.0000 0.0000 1.19048E-02 0.7002 0 1
13734 B 106.13100 76.000 48.008 1.0000 0.0000 1.31579E-02 0.6992 0 1
13735 B 106.13799 76.000 48.010 1.0000 0.0000 1.31579E-02 0.7002 0 1
13736 B 106.14500 83.000 48.012 1.0000 0.0000 1.20482E-02 0.7002 0 1
13737 B 106.15199 83.000 48.014 1.0000 0.0000 1.20482E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 243
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13738 B 106.15900 80.000 48.016 1.0000 0.0000 1.25000E-02 0.7002 0 1
13739 B 106.16601 63.000 48.018 1.0000 0.0000 1.58730E-02 0.6992 0 1
13740 B 106.17299 67.000 48.021 1.0000 0.0000 1.49254E-02 0.7002 0 1
13741 B 106.18000 74.000 48.023 1.0000 0.0000 1.35135E-02 0.7002 0 1
13742 B 106.18699 77.000 48.025 1.0000 0.0000 1.29870E-02 0.7002 0 1
13743 B 106.19400 74.000 48.027 1.0000 0.0000 1.35135E-02 0.7002 0 1
13744 B 106.20100 75.000 48.029 1.0000 0.0000 1.33333E-02 0.6992 0 1
13745 B 106.20798 64.000 48.032 1.0000 0.0000 1.56250E-02 0.7002 0 1
13746 B 106.21500 68.000 48.034 1.0000 0.0000 1.47059E-02 0.7002 0 1
13747 B 106.22199 64.000 48.036 1.0000 0.0000 1.56250E-02 0.7002 0 1
13748 B 106.22900 72.000 48.038 1.0000 0.0000 1.38889E-02 0.7002 0 1
13749 B 106.23601 75.000 48.040 1.0000 0.0000 1.33333E-02 0.6992 0 1
13750 B 106.24299 60.000 48.043 1.0000 0.0000 1.66667E-02 0.7002 0 1
13751 B 106.25000 74.000 48.045 1.0000 0.0000 1.35135E-02 0.7002 0 1
13752 B 106.25699 62.000 48.047 1.0000 0.0000 1.61290E-02 0.7002 0 1
13753 B 106.26401 59.000 48.049 1.0000 0.0000 1.69492E-02 0.7002 0 1
13754 B 106.27100 74.000 48.052 1.0000 0.0000 1.35135E-02 0.6992 0 1
13755 B 106.27798 82.000 48.054 1.0000 0.0000 1.21951E-02 0.7002 0 1
13756 B 106.28500 76.000 48.056 1.0000 0.0000 1.31579E-02 0.7002 0 1
13757 B 106.29199 84.000 48.058 1.0000 0.0000 1.19048E-02 0.7002 0 1
13758 B 106.29900 81.000 48.061 1.0000 0.0000 1.23457E-02 0.7002 0 1
13759 B 106.30601 64.000 48.063 1.0000 0.0000 1.56250E-02 0.6992 0 1
13760 B 106.31299 56.000 48.065 1.0000 0.0000 1.78571E-02 0.7002 0 1
13761 B 106.32000 56.000 48.067 1.0000 0.0000 1.78571E-02 0.7002 0 1
13762 B 106.32700 69.000 48.069 1.0000 0.0000 1.44928E-02 0.7002 0 1
13763 B 106.33401 66.000 48.072 1.0000 0.0000 1.51515E-02 0.7002 0 1
13764 B 106.34100 64.000 48.074 1.0000 0.0000 1.56250E-02 0.6992 0 1
13765 B 106.34799 83.000 48.076 1.0000 0.0000 1.20482E-02 0.7002 0 1
13766 B 106.35500 67.000 48.079 1.0000 0.0000 1.49254E-02 0.7002 0 1
13767 B 106.36199 77.000 48.081 1.0000 0.0000 1.29870E-02 0.7002 0 1
13768 B 106.36900 74.000 48.083 1.0000 0.0000 1.35135E-02 0.7002 0 1
13769 B 106.37601 85.000 48.085 1.0000 0.0000 1.17647E-02 0.6992 0 1
13770 B 106.38299 90.000 48.088 1.0000 0.0000 1.11111E-02 0.7002 0 1
13771 B 106.39000 78.000 48.090 1.0000 0.0000 1.28205E-02 0.7002 0 1
13772 B 106.39700 73.000 48.092 1.0000 0.0000 1.36986E-02 0.7002 0 1
13773 B 106.40401 80.000 48.094 1.0000 0.0000 1.25000E-02 0.7002 0 1
13774 B 106.41100 86.000 48.097 1.0000 0.0000 1.16279E-02 0.6992 0 1
13775 B 106.41799 75.000 48.099 1.0000 0.0000 1.33333E-02 0.7002 0 1
13776 B 106.42500 67.000 48.101 1.0000 0.0000 1.49254E-02 0.7002 0 1
13777 B 106.43199 68.000 48.104 1.0000 0.0000 1.47059E-02 0.7002 0 1
13778 B 106.43900 74.000 48.106 1.0000 0.0000 1.35135E-02 0.7002 0 1
13779 B 106.44601 67.000 48.108 1.0000 0.0000 1.49254E-02 0.6992 0 1
13780 B 106.45299 82.000 48.111 1.0000 0.0000 1.21951E-02 0.7002 0 1
13781 B 106.46000 70.000 48.113 1.0000 0.0000 1.42857E-02 0.7002 0 1
13782 B 106.46700 84.000 48.115 1.0000 0.0000 1.19048E-02 0.7002 0 1
13783 B 106.47401 76.000 48.118 1.0000 0.0000 1.31579E-02 0.7002 0 1
13784 B 106.48100 78.000 48.120 1.0000 0.0000 1.28205E-02 0.6992 0 1
13785 B 106.48799 63.000 48.122 1.0000 0.0000 1.58730E-02 0.7002 0 1
13786 B 106.49500 75.000 48.125 1.0000 0.0000 1.33333E-02 0.7002 0 1
13787 B 106.50199 78.000 48.127 1.0000 0.0000 1.28205E-02 0.7002 0 1
13788 B 106.50900 78.000 48.129 1.0000 0.0000 1.28205E-02 0.7002 0 1
13789 B 106.51601 74.000 48.132 1.0000 0.0000 1.35135E-02 0.6992 0 1
13790 B 106.52299 65.000 48.134 1.0000 0.0000 1.53846E-02 0.7002 0 1
13791 B 106.53000 77.000 48.136 1.0000 0.0000 1.29870E-02 0.7002 0 1
13792 B 106.53699 83.000 48.139 1.0000 0.0000 1.20482E-02 0.7002 0 1
13793 B 106.54401 76.000 48.141 1.0000 0.0000 1.31579E-02 0.7002 0 1
13794 B 106.55100 64.000 48.143 1.0000 0.0000 1.56250E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 244
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13795 B 106.55799 75.000 48.146 1.0000 0.0000 1.33333E-02 0.7002 0 1
13796 B 106.56500 86.000 48.148 1.0000 0.0000 1.16279E-02 0.7002 0 1
13797 B 106.57199 74.000 48.150 1.0000 0.0000 1.35135E-02 0.7002 0 1
13798 B 106.57900 85.000 48.153 1.0000 0.0000 1.17647E-02 0.7002 0 1
13799 B 106.58601 71.000 48.155 1.0000 0.0000 1.40845E-02 0.6992 0 1
13800 B 106.59299 79.000 48.157 1.0000 0.0000 1.26582E-02 0.7002 0 1
13801 B 106.60000 75.000 48.160 1.0000 0.0000 1.33333E-02 0.7002 0 1
13802 B 106.60699 68.000 48.162 1.0000 0.0000 1.47059E-02 0.7002 0 1
13803 B 106.61401 69.000 48.165 1.0000 0.0000 1.44928E-02 0.7002 0 1
13804 B 106.62100 65.000 48.167 1.0000 0.0000 1.53846E-02 0.6992 0 1
13805 B 106.62799 72.000 48.169 1.0000 0.0000 1.38889E-02 0.7002 0 1
13806 B 106.63500 72.000 48.172 1.0000 0.0000 1.38889E-02 0.7002 0 1
13807 B 106.64199 74.000 48.174 1.0000 0.0000 1.35135E-02 0.7002 0 1
13808 B 106.64900 79.000 48.177 1.0000 0.0000 1.26582E-02 0.7002 0 1
13809 B 106.65601 68.000 48.179 1.0000 0.0000 1.47059E-02 0.6992 0 1
13810 B 106.66299 68.000 48.181 1.0000 0.0000 1.47059E-02 0.7002 0 1
13811 B 106.67000 67.000 48.184 1.0000 0.0000 1.49254E-02 0.7002 0 1
13812 B 106.67699 72.000 48.186 1.0000 0.0000 1.38889E-02 0.7002 0 1
13813 B 106.68401 78.000 48.189 1.0000 0.0000 1.28205E-02 0.7002 0 1
13814 B 106.69101 80.000 48.191 1.0000 0.0000 1.25000E-02 0.6992 0 1
13815 B 106.69799 84.000 48.193 1.0000 0.0000 1.19048E-02 0.7002 0 1
13816 B 106.70500 80.000 48.196 1.0000 0.0000 1.25000E-02 0.7002 0 1
13817 B 106.71199 93.000 48.198 1.0000 0.0000 1.07527E-02 0.7002 0 1
13818 B 106.71900 83.000 48.201 1.0000 0.0000 1.20482E-02 0.7002 0 1
13819 B 106.72601 75.000 48.203 1.0000 0.0000 1.33333E-02 0.6992 0 1
13820 B 106.73299 80.000 48.205 1.0000 0.0000 1.25000E-02 0.7002 0 1
13821 B 106.74000 86.000 48.208 1.0000 0.0000 1.16279E-02 0.7002 0 1
13822 B 106.74699 82.000 48.210 1.0000 0.0000 1.21951E-02 0.7002 0 1
13823 B 106.75401 80.000 48.213 1.0000 0.0000 1.25000E-02 0.7002 0 1
13824 B 106.76101 84.000 48.215 1.0000 0.0000 1.19048E-02 0.6992 0 1
13825 B 106.76799 91.000 48.218 1.0000 0.0000 1.09890E-02 0.7002 0 1
13826 B 106.77500 93.000 48.220 1.0000 0.0000 1.07527E-02 0.7002 0 1
13827 B 106.78199 66.000 48.223 1.0000 0.0000 1.51515E-02 0.7002 0 1
13828 B 106.78900 85.000 48.225 1.0000 0.0000 1.17647E-02 0.7002 0 1
13829 B 106.79601 78.000 48.228 1.0000 0.0000 1.28205E-02 0.6992 0 1
13830 B 106.80299 88.000 48.230 1.0000 0.0000 1.13636E-02 0.7002 0 1
13831 B 106.81000 85.000 48.232 1.0000 0.0000 1.17647E-02 0.7002 0 1
13832 B 106.81699 84.000 48.235 1.0000 0.0000 1.19048E-02 0.7002 0 1
13833 B 106.82401 79.000 48.237 1.0000 0.0000 1.26582E-02 0.7002 0 1
13834 B 106.83101 75.000 48.240 1.0000 0.0000 1.33333E-02 0.6992 0 1
13835 B 106.83799 87.000 48.242 1.0000 0.0000 1.14943E-02 0.7002 0 1
13836 B 106.84500 76.000 48.245 1.0000 0.0000 1.31579E-02 0.7002 0 1
13837 B 106.85199 69.000 48.247 1.0000 0.0000 1.44928E-02 0.7002 0 1
13838 B 106.85900 81.000 48.250 1.0000 0.0000 1.23457E-02 0.7002 0 1
13839 B 106.86600 78.000 48.252 1.0000 0.0000 1.28205E-02 0.6992 0 1
13840 B 106.87299 72.000 48.255 1.0000 0.0000 1.38889E-02 0.7002 0 1
13841 B 106.88000 81.000 48.257 1.0000 0.0000 1.23457E-02 0.7002 0 1
13842 B 106.88699 78.000 48.260 1.0000 0.0000 1.28205E-02 0.7002 0 1
13843 B 106.89400 76.000 48.262 1.0000 0.0000 1.31579E-02 0.7002 0 1
13844 B 106.90101 74.000 48.265 1.0000 0.0000 1.35135E-02 0.6992 0 1
13845 B 106.90799 73.000 48.267 1.0000 0.0000 1.36986E-02 0.7002 0 1
13846 B 106.91500 70.000 48.270 1.0000 0.0000 1.42857E-02 0.7002 0 1
13847 B 106.92199 70.000 48.272 1.0000 0.0000 1.42857E-02 0.7002 0 1
13848 B 106.92900 73.000 48.275 1.0000 0.0000 1.36986E-02 0.7002 0 1
13849 B 106.93600 79.000 48.277 1.0000 0.0000 1.26582E-02 0.6992 0 1
13850 B 106.94299 80.000 48.280 1.0000 0.0000 1.25000E-02 0.7002 0 1
13851 B 106.95000 80.000 48.282 1.0000 0.0000 1.25000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 245
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13852 B 106.95699 77.000 48.285 1.0000 0.0000 1.29870E-02 0.7002 0 1
13853 B 106.96400 73.000 48.288 1.0000 0.0000 1.36986E-02 0.7002 0 1
13854 B 106.97101 89.000 48.290 1.0000 0.0000 1.12360E-02 0.6992 0 1
13855 B 106.97799 93.000 48.293 1.0000 0.0000 1.07527E-02 0.7002 0 1
13856 B 106.98500 79.000 48.295 1.0000 0.0000 1.26582E-02 0.7002 0 1
13857 B 106.99199 76.000 48.298 1.0000 0.0000 1.31579E-02 0.7002 0 1
13858 B 106.99900 80.000 48.300 1.0000 0.0000 1.25000E-02 0.7002 0 1
13859 B 107.00600 86.000 48.303 1.0000 0.0000 1.16279E-02 0.6992 0 1
13860 B 107.01299 94.000 48.305 1.0000 0.0000 1.06383E-02 0.7002 0 1
13861 B 107.02000 70.000 48.308 1.0000 0.0000 1.42857E-02 0.7002 0 1
13862 B 107.02699 86.000 48.310 1.0000 0.0000 1.16279E-02 0.7002 0 1
13863 B 107.03400 86.000 48.313 1.0000 0.0000 1.16279E-02 0.7002 0 1
13864 B 107.04101 73.000 48.316 1.0000 0.0000 1.36986E-02 0.6992 0 1
13865 B 107.04799 69.000 48.318 1.0000 0.0000 1.44928E-02 0.7002 0 1
13866 B 107.05500 71.000 48.321 1.0000 0.0000 1.40845E-02 0.7002 0 1
13867 B 107.06199 74.000 48.323 1.0000 0.0000 1.35135E-02 0.7002 0 1
13868 B 107.06900 71.000 48.326 1.0000 0.0000 1.40845E-02 0.7002 0 1
13869 B 107.07600 73.000 48.328 1.0000 0.0000 1.36986E-02 0.6992 0 1
13870 B 107.08298 69.000 48.331 1.0000 0.0000 1.44928E-02 0.7002 0 1
13871 B 107.09000 87.000 48.334 1.0000 0.0000 1.14943E-02 0.7002 0 1
13872 B 107.09699 90.000 48.336 1.0000 0.0000 1.11111E-02 0.7002 0 1
13873 B 107.10400 90.000 48.339 1.0000 0.0000 1.11111E-02 0.7002 0 1
13874 B 107.11101 85.000 48.341 1.0000 0.0000 1.17647E-02 0.6992 0 1
13875 B 107.11799 80.000 48.344 1.0000 0.0000 1.25000E-02 0.7002 0 1
13876 B 107.12500 90.000 48.347 1.0000 0.0000 1.11111E-02 0.7002 0 1
13877 B 107.13199 88.000 48.349 1.0000 0.0000 1.13636E-02 0.7002 0 1
13878 B 107.13901 88.000 48.352 1.0000 0.0000 1.13636E-02 0.7002 0 1
13879 B 107.14600 81.000 48.354 1.0000 0.0000 1.23457E-02 0.6992 0 1
13880 B 107.15298 78.000 48.357 1.0000 0.0000 1.28205E-02 0.7002 0 1
13881 B 107.16000 86.000 48.360 1.0000 0.0000 1.16279E-02 0.7002 0 1
13882 B 107.16699 80.000 48.362 1.0000 0.0000 1.25000E-02 0.7002 0 1
13883 B 107.17400 79.000 48.365 1.0000 0.0000 1.26582E-02 0.7002 0 1
13884 B 107.18101 84.000 48.368 1.0000 0.0000 1.19048E-02 0.6992 0 1
13885 B 107.18799 78.000 48.370 1.0000 0.0000 1.28205E-02 0.7002 0 1
13886 B 107.19500 78.000 48.373 1.0000 0.0000 1.28205E-02 0.7002 0 1
13887 B 107.20200 72.000 48.375 1.0000 0.0000 1.38889E-02 0.7002 0 1
13888 B 107.20901 81.000 48.378 1.0000 0.0000 1.23457E-02 0.7002 0 1
13889 B 107.21600 89.000 48.381 1.0000 0.0000 1.12360E-02 0.6992 0 1
13890 B 107.22299 100.00 48.383 1.0000 0.0000 1.00000E-02 0.7002 0 1
13891 B 107.23000 83.000 48.386 1.0000 0.0000 1.20482E-02 0.7002 0 1
13892 B 107.23699 80.000 48.389 1.0000 0.0000 1.25000E-02 0.7002 0 1
13893 B 107.24400 83.000 48.391 1.0000 0.0000 1.20482E-02 0.7002 0 1
13894 B 107.25101 83.000 48.394 1.0000 0.0000 1.20482E-02 0.6992 0 1
13895 B 107.25799 81.000 48.397 1.0000 0.0000 1.23457E-02 0.7002 0 1
13896 B 107.26500 79.000 48.399 1.0000 0.0000 1.26582E-02 0.7002 0 1
13897 B 107.27200 78.000 48.402 1.0000 0.0000 1.28205E-02 0.7002 0 1
13898 B 107.27901 89.000 48.405 1.0000 0.0000 1.12360E-02 0.7002 0 1
13899 B 107.28600 87.000 48.407 1.0000 0.0000 1.14943E-02 0.6992 0 1
13900 B 107.29299 88.000 48.410 1.0000 0.0000 1.13636E-02 0.7002 0 1
13901 B 107.30000 97.000 48.413 1.0000 0.0000 1.03093E-02 0.7002 0 1
13902 B 107.30699 87.000 48.415 1.0000 0.0000 1.14943E-02 0.7002 0 1
13903 B 107.31400 78.000 48.418 1.0000 0.0000 1.28205E-02 0.7002 0 1
13904 B 107.32101 67.000 48.421 1.0000 0.0000 1.49254E-02 0.6992 0 1
13905 B 107.32799 96.000 48.424 1.0000 0.0000 1.04167E-02 0.7002 0 1
13906 B 107.33500 90.000 48.426 1.0000 0.0000 1.11111E-02 0.7002 0 1
13907 B 107.34200 87.000 48.429 1.0000 0.0000 1.14943E-02 0.7002 0 1
13908 B 107.34901 91.000 48.432 1.0000 0.0000 1.09890E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 246
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13909 B 107.35600 81.000 48.434 1.0000 0.0000 1.23457E-02 0.6992 0 1
13910 B 107.36299 75.000 48.437 1.0000 0.0000 1.33333E-02 0.7002 0 1
13911 B 107.37000 80.000 48.440 1.0000 0.0000 1.25000E-02 0.7002 0 1
13912 B 107.37699 81.000 48.442 1.0000 0.0000 1.23457E-02 0.7002 0 1
13913 B 107.38400 89.000 48.445 1.0000 0.0000 1.12360E-02 0.7002 0 1
13914 B 107.39101 74.000 48.448 1.0000 0.0000 1.35135E-02 0.6992 0 1
13915 B 107.39799 72.000 48.451 1.0000 0.0000 1.38889E-02 0.7002 0 1
13916 B 107.40500 84.000 48.453 1.0000 0.0000 1.19048E-02 0.7002 0 1
13917 B 107.41199 75.000 48.456 1.0000 0.0000 1.33333E-02 0.7002 0 1
13918 B 107.41901 75.000 48.459 1.0000 0.0000 1.33333E-02 0.7002 0 1
13919 B 107.42600 96.000 48.462 1.0000 0.0000 1.04167E-02 0.6992 0 1
13920 B 107.43299 77.000 48.464 1.0000 0.0000 1.29870E-02 0.7002 0 1
13921 B 107.44000 87.000 48.467 1.0000 0.0000 1.14943E-02 0.7002 0 1
13922 B 107.44699 78.000 48.470 1.0000 0.0000 1.28205E-02 0.7002 0 1
13923 B 107.45400 76.000 48.473 1.0000 0.0000 1.31579E-02 0.7002 0 1
13924 B 107.46101 70.000 48.475 1.0000 0.0000 1.42857E-02 0.6992 0 1
13925 B 107.46799 80.000 48.478 1.0000 0.0000 1.25000E-02 0.7002 0 1
13926 B 107.47500 81.000 48.481 1.0000 0.0000 1.23457E-02 0.7002 0 1
13927 B 107.48199 93.000 48.484 1.0000 0.0000 1.07527E-02 0.7002 0 1
13928 B 107.48901 85.000 48.486 1.0000 0.0000 1.17647E-02 0.7002 0 1
13929 B 107.49600 82.000 48.489 1.0000 0.0000 1.21951E-02 0.6992 0 1
13930 B 107.50299 84.000 48.492 1.0000 0.0000 1.19048E-02 0.7002 0 1
13931 B 107.51000 88.000 48.495 1.0000 0.0000 1.13636E-02 0.7002 0 1
13932 B 107.51699 83.000 48.497 1.0000 0.0000 1.20482E-02 0.7002 0 1
13933 B 107.52400 86.000 48.500 1.0000 0.0000 1.16279E-02 0.7002 0 1
13934 B 107.53101 74.000 48.503 1.0000 0.0000 1.35135E-02 0.6992 0 1
13935 B 107.53799 80.000 48.506 1.0000 0.0000 1.25000E-02 0.7002 0 1
13936 B 107.54500 90.000 48.509 1.0000 0.0000 1.11111E-02 0.7002 0 1
13937 B 107.55199 90.000 48.511 1.0000 0.0000 1.11111E-02 0.7002 0 1
13938 B 107.55901 94.000 48.514 1.0000 0.0000 1.06383E-02 0.7002 0 1
13939 B 107.56601 82.000 48.517 1.0000 0.0000 1.21951E-02 0.6992 0 1
13940 B 107.57299 81.000 48.520 1.0000 0.0000 1.23457E-02 0.7002 0 1
13941 B 107.58000 82.000 48.523 1.0000 0.0000 1.21951E-02 0.7002 0 1
13942 B 107.58699 86.000 48.525 1.0000 0.0000 1.16279E-02 0.7002 0 1
13943 B 107.59400 85.000 48.528 1.0000 0.0000 1.17647E-02 0.7002 0 1
13944 B 107.60101 85.000 48.531 1.0000 0.0000 1.17647E-02 0.6992 0 1
13945 B 107.60799 74.000 48.534 1.0000 0.0000 1.35135E-02 0.7002 0 1
13946 B 107.61500 80.000 48.537 1.0000 0.0000 1.25000E-02 0.7002 0 1
13947 B 107.62199 82.000 48.539 1.0000 0.0000 1.21951E-02 0.7002 0 1
13948 B 107.62901 88.000 48.542 1.0000 0.0000 1.13636E-02 0.7002 0 1
13949 B 107.63601 72.000 48.545 1.0000 0.0000 1.38889E-02 0.6992 0 1
13950 B 107.64299 85.000 48.548 1.0000 0.0000 1.17647E-02 0.7002 0 1
13951 B 107.65000 95.000 48.551 1.0000 0.0000 1.05263E-02 0.7002 0 1
13952 B 107.65699 82.000 48.554 1.0000 0.0000 1.21951E-02 0.7002 0 1
13953 B 107.66400 86.000 48.556 1.0000 0.0000 1.16279E-02 0.7002 0 1
13954 B 107.67101 86.000 48.559 1.0000 0.0000 1.16279E-02 0.6992 0 1
13955 B 107.67799 88.000 48.562 1.0000 0.0000 1.13636E-02 0.7002 0 1
13956 B 107.68500 74.000 48.565 1.0000 0.0000 1.35135E-02 0.7002 0 1
13957 B 107.69199 74.000 48.568 1.0000 0.0000 1.35135E-02 0.7002 0 1
13958 B 107.69901 79.000 48.571 1.0000 0.0000 1.26582E-02 0.7002 0 1
13959 B 107.70601 82.000 48.574 1.0000 0.0000 1.21951E-02 0.6992 0 1
13960 B 107.71299 79.000 48.576 1.0000 0.0000 1.26582E-02 0.7002 0 1
13961 B 107.72000 79.000 48.579 1.0000 0.0000 1.26582E-02 0.7002 0 1
13962 B 107.72699 86.000 48.582 1.0000 0.0000 1.16279E-02 0.7002 0 1
13963 B 107.73400 92.000 48.585 1.0000 0.0000 1.08696E-02 0.7002 0 1
13964 B 107.74100 93.000 48.588 1.0000 0.0000 1.07527E-02 0.6992 0 1
13965 B 107.74799 97.000 48.591 1.0000 0.0000 1.03093E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 247
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
13966 B 107.75500 87.000 48.594 1.0000 0.0000 1.14943E-02 0.7002 0 1
13967 B 107.76199 84.000 48.597 1.0000 0.0000 1.19048E-02 0.7002 0 1
13968 B 107.76900 88.000 48.599 1.0000 0.0000 1.13636E-02 0.7002 0 1
13969 B 107.77601 90.000 48.602 1.0000 0.0000 1.11111E-02 0.6992 0 1
13970 B 107.78299 84.000 48.605 1.0000 0.0000 1.19048E-02 0.7002 0 1
13971 B 107.79000 76.000 48.608 1.0000 0.0000 1.31579E-02 0.7002 0 1
13972 B 107.79699 72.000 48.611 1.0000 0.0000 1.38889E-02 0.7002 0 1
13973 B 107.80400 79.000 48.614 1.0000 0.0000 1.26582E-02 0.7002 0 1
13974 B 107.81100 82.000 48.617 1.0000 0.0000 1.21951E-02 0.6992 0 1
13975 B 107.81799 75.000 48.620 1.0000 0.0000 1.33333E-02 0.7002 0 1
13976 B 107.82500 70.000 48.623 1.0000 0.0000 1.42857E-02 0.7002 0 1
13977 B 107.83199 81.000 48.626 1.0000 0.0000 1.23457E-02 0.7002 0 1
13978 B 107.83900 75.000 48.628 1.0000 0.0000 1.33333E-02 0.7002 0 1
13979 B 107.84601 87.000 48.631 1.0000 0.0000 1.14943E-02 0.6992 0 1
13980 B 107.85299 89.000 48.634 1.0000 0.0000 1.12360E-02 0.7002 0 1
13981 B 107.86000 75.000 48.637 1.0000 0.0000 1.33333E-02 0.7002 0 1
13982 B 107.86699 89.000 48.640 1.0000 0.0000 1.12360E-02 0.7002 0 1
13983 B 107.87400 76.000 48.643 1.0000 0.0000 1.31579E-02 0.7002 0 1
13984 B 107.88100 83.000 48.646 1.0000 0.0000 1.20482E-02 0.6992 0 1
13985 B 107.88799 72.000 48.649 1.0000 0.0000 1.38889E-02 0.7002 0 1
13986 B 107.89500 74.000 48.652 1.0000 0.0000 1.35135E-02 0.7002 0 1
13987 B 107.90199 78.000 48.655 1.0000 0.0000 1.28205E-02 0.7002 0 1
13988 B 107.90900 79.000 48.658 1.0000 0.0000 1.26582E-02 0.7002 0 1
13989 B 107.91601 79.000 48.661 1.0000 0.0000 1.26582E-02 0.6992 0 1
13990 B 107.92299 82.000 48.664 1.0000 0.0000 1.21951E-02 0.7002 0 1
13991 B 107.93000 84.000 48.667 1.0000 0.0000 1.19048E-02 0.7002 0 1
13992 . 107.93699 80.000 49.672 1.0000 0.0000 1.25000E-02 0.7002 81 1
13993 . 107.94400 68.000 49.731 1.0000 0.0000 1.47059E-02 0.7002 81 1
13994 . 107.95100 83.000 49.795 1.0000 0.0000 1.20482E-02 0.6992 81 1
13995 . 107.95798 89.000 49.865 1.0000 0.0000 1.12360E-02 0.7002 81 1
13996 . 107.96500 86.000 49.941 1.0000 0.0000 1.16279E-02 0.7002 81 1
13997 . 107.97199 74.000 50.023 1.0000 0.0000 1.35135E-02 0.7002 81 1
13998 . 107.97900 93.000 50.113 1.0000 0.0000 1.07527E-02 0.7002 81 1
13999 . 107.98601 83.000 50.212 1.0000 0.0000 1.20482E-02 0.6992 81 1
14000 . 107.99299 91.000 50.321 1.0000 0.0000 1.09890E-02 0.7002 81 1
14001 . 108.00000 71.000 50.441 1.0000 0.0000 1.40845E-02 0.7002 81 1
14002 . 108.00699 72.000 50.574 1.0000 0.0000 1.38889E-02 0.7002 81 1
14003 . 108.01401 85.000 50.722 1.0000 0.0000 1.17647E-02 0.7002 81 1
14004 . 108.02100 85.000 50.887 1.0000 0.0000 1.17647E-02 0.6992 81 1
14005 . 108.02798 80.000 51.072 1.0000 0.0000 1.25000E-02 0.7002 81 1
14006 . 108.03500 75.000 51.281 1.0000 0.0000 1.33333E-02 0.7002 81 1
14007 . 108.04199 60.000 51.517 1.0000 0.0000 1.66667E-02 0.7002 81 1
14008 . 108.04900 70.000 51.789 1.0000 0.0000 1.42857E-02 0.7002 81 1
14009 . 108.05601 64.000 52.102 1.0000 0.0000 1.56250E-02 0.6992 81 1
14010 . 108.06299 66.000 52.470 1.0000 0.0000 1.51515E-02 0.7002 81 1
14011 . 108.07000 73.000 52.915 1.0000 0.0000 1.36986E-02 0.7002 81 1
14012 . 108.07700 71.000 53.467 1.0000 0.0000 1.40845E-02 0.7002 81 1
14013 . 108.08401 79.000 54.182 1.0000 0.0000 1.26582E-02 0.7002 81 1
14014 . 108.09100 77.000 55.143 1.0000 0.0000 1.29870E-02 0.6992 81 1
14015 . 108.09799 79.000 56.474 1.0000 0.0000 1.26582E-02 0.7002 81 1
14016 . 108.10500 83.000 58.370 1.0000 0.0000 1.20482E-02 0.7002 81 1
14017 . 108.11199 79.000 61.065 1.0000 0.0000 1.26582E-02 0.7002 81 1
14018 . 108.11900 85.000 64.881 1.0000 0.0000 1.17647E-02 0.7002 81 1
14019 . 108.12601 75.000 70.144 1.0000 0.0000 1.33333E-02 0.6992 81 1
14020 . 108.13299 81.000 77.158 1.0000 0.0000 1.23457E-02 0.7002 81 1
14021 . 108.14000 73.000 86.210 1.0000 0.0000 1.36986E-02 0.7002 81 1
14022 . 108.14700 74.000 97.294 1.0000 0.0000 1.35135E-02 0.7002 81 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 248
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14023 . 108.15401 82.000 110.25 1.0000 0.0000 1.21951E-02 0.7002 81 1
14024 . 108.16100 76.000 124.45 1.0000 0.0000 1.31579E-02 0.6992 81 1
14025 . 108.16799 80.000 138.83 1.0000 0.0000 1.25000E-02 0.7002 81 1
14026 . 108.17500 85.000 151.96 1.0000 0.0000 1.17647E-02 0.7002 81 1
14027 . 108.18199 71.000 161.78 1.0000 0.0000 1.40845E-02 0.7002 81 1
14028 .1 108.18900 84.000 166.37 1.0000 0.0000 1.19048E-02 0.7002 81 1
14029 . 108.19601 95.000 164.61 1.0000 0.0000 1.05263E-02 0.6992 81 1
14030 . 108.20299 74.000 156.97 1.0000 0.0000 1.35135E-02 0.7002 81 1
14031 . 108.21000 86.000 145.08 1.0000 0.0000 1.16279E-02 0.7002 81 1
14032 . 108.21700 80.000 131.06 1.0000 0.0000 1.25000E-02 0.7002 81 1
14033 . 108.22401 71.000 116.59 1.0000 0.0000 1.40845E-02 0.7002 81 1
14034 . 108.23100 69.000 102.99 1.0000 0.0000 1.44928E-02 0.6992 81 1
14035 . 108.23799 71.000 91.050 1.0000 0.0000 1.40845E-02 0.7002 81 1
14036 . 108.24500 70.000 81.058 1.0000 0.0000 1.42857E-02 0.7002 81 1
14037 . 108.25199 73.000 73.151 1.0000 0.0000 1.36986E-02 0.7002 81 1
14038 . 108.25900 63.000 67.119 1.0000 0.0000 1.58730E-02 0.7002 81 1
14039 . 108.26601 60.000 62.701 1.0000 0.0000 1.66667E-02 0.6992 81 1
14040 . 108.27299 75.000 59.553 1.0000 0.0000 1.33333E-02 0.7002 81 1
14041 . 108.28000 78.000 57.331 1.0000 0.0000 1.28205E-02 0.7002 81 1
14042 . 108.28699 72.000 55.777 1.0000 0.0000 1.38889E-02 0.7002 81 1
14043 . 108.29401 73.000 54.670 1.0000 0.0000 1.36986E-02 0.7002 81 1
14044 . 108.30100 69.000 53.863 1.0000 0.0000 1.44928E-02 0.6992 81 1
14045 . 108.30799 74.000 53.253 1.0000 0.0000 1.35135E-02 0.7002 81 1
14046 . 108.31500 80.000 52.770 1.0000 0.0000 1.25000E-02 0.7002 81 1
14047 . 108.32199 82.000 52.377 1.0000 0.0000 1.21951E-02 0.7002 81 1
14048 . 108.32900 69.000 52.554 1.0000 0.0000 1.44928E-02 0.7002 81 2
14049 . 108.33601 74.000 52.300 1.0000 0.0000 1.35135E-02 0.6992 81 2
14050 . 108.34299 76.000 52.087 1.0000 0.0000 1.31579E-02 0.7002 81 2
14051 . 108.35000 76.000 51.905 1.0000 0.0000 1.31579E-02 0.7002 81 2
14052 . 108.35699 78.000 51.753 1.0000 0.0000 1.28205E-02 0.7002 81 2
14053 . 108.36401 73.000 51.626 1.0000 0.0000 1.36986E-02 0.7002 81 2
14054 . 108.37100 65.000 51.521 1.0000 0.0000 1.53846E-02 0.6992 81 2
14055 . 108.37799 79.000 51.437 1.0000 0.0000 1.26582E-02 0.7002 81 2
14056 . 108.38500 69.000 51.371 1.0000 0.0000 1.44928E-02 0.7002 81 2
14057 . 108.39199 87.000 51.323 1.0000 0.0000 1.14943E-02 0.7002 81 2
14058 . 108.39900 64.000 51.292 1.0000 0.0000 1.56250E-02 0.7002 81 2
14059 . 108.40601 83.000 51.278 1.0000 0.0000 1.20482E-02 0.6992 81 2
14060 . 108.41299 70.000 51.281 1.0000 0.0000 1.42857E-02 0.7002 81 2
14061 . 108.42000 87.000 51.301 1.0000 0.0000 1.14943E-02 0.7002 81 2
14062 . 108.42699 69.000 51.340 1.0000 0.0000 1.44928E-02 0.7002 81 2
14063 . 108.43401 58.000 51.399 1.0000 0.0000 1.72414E-02 0.7002 81 2
14064 . 108.44101 60.000 51.481 1.0000 0.0000 1.66667E-02 0.6992 81 2
14065 . 108.44799 68.000 50.615 1.0000 0.0000 1.47059E-02 0.7002 82 1
14066 . 108.45500 68.000 50.807 1.0000 0.0000 1.47059E-02 0.7002 82 1
14067 . 108.46199 64.000 51.037 1.0000 0.0000 1.56250E-02 0.7002 82 1
14068 . 108.46900 67.000 51.325 1.0000 0.0000 1.49254E-02 0.7002 82 1
14069 . 108.47601 72.000 51.699 1.0000 0.0000 1.38889E-02 0.6992 82 1
14070 . 108.48299 68.000 52.201 1.0000 0.0000 1.47059E-02 0.7002 82 1
14071 . 108.49000 79.000 52.902 1.0000 0.0000 1.26582E-02 0.7002 82 1
14072 . 108.49699 73.000 53.894 1.0000 0.0000 1.36986E-02 0.7002 82 1
14073 . 108.50401 72.000 55.308 1.0000 0.0000 1.38889E-02 0.7002 82 1
14074 . 108.51101 65.000 57.294 1.0000 0.0000 1.53846E-02 0.6992 82 1
14075 . 108.51799 72.000 60.013 1.0000 0.0000 1.38889E-02 0.7002 82 1
14076 . 108.52500 64.000 63.642 1.0000 0.0000 1.56250E-02 0.7002 82 1
14077 . 108.53199 66.000 68.263 1.0000 0.0000 1.51515E-02 0.7002 82 1
14078 . 108.53900 63.000 73.916 1.0000 0.0000 1.58730E-02 0.7002 82 1
14079 . 108.54601 64.000 80.450 1.0000 0.0000 1.56250E-02 0.6992 82 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 249
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14080 . 108.55299 72.000 87.542 1.0000 0.0000 1.38889E-02 0.7002 82 1
14081 . 108.56000 71.000 94.705 1.0000 0.0000 1.40845E-02 0.7002 82 1
14082 . 108.56699 66.000 101.11 1.0000 0.0000 1.51515E-02 0.7002 82 1
14083 . 108.57401 76.000 105.79 1.0000 0.0000 1.31579E-02 0.7002 82 1
14084 .1 108.58101 71.000 107.77 1.0000 0.0000 1.40845E-02 0.6992 82 1
14085 . 108.58799 72.000 106.61 1.0000 0.0000 1.38889E-02 0.7002 82 1
14086 . 108.59500 78.000 102.57 1.0000 0.0000 1.28205E-02 0.7002 82 1
14087 . 108.60199 74.000 96.533 1.0000 0.0000 1.35135E-02 0.7002 82 1
14088 . 108.60900 72.000 89.486 1.0000 0.0000 1.38889E-02 0.7002 82 1
14089 . 108.61600 64.000 82.308 1.0000 0.0000 1.56250E-02 0.6992 82 1
14090 . 108.62299 69.000 75.608 1.0000 0.0000 1.44928E-02 0.7002 82 1
14091 . 108.63000 71.000 69.707 1.0000 0.0000 1.40845E-02 0.7002 82 1
14092 . 108.63699 58.000 64.819 1.0000 0.0000 1.72414E-02 0.7002 82 1
14093 . 108.64400 57.000 60.938 1.0000 0.0000 1.75439E-02 0.7002 82 1
14094 . 108.65101 72.000 57.995 1.0000 0.0000 1.38889E-02 0.6992 82 1
14095 . 108.65799 81.000 55.842 1.0000 0.0000 1.23457E-02 0.7002 82 1
14096 . 108.66500 64.000 54.298 1.0000 0.0000 1.56250E-02 0.7002 82 1
14097 . 108.67199 61.000 53.216 1.0000 0.0000 1.63934E-02 0.7002 82 1
14098 . 108.67900 64.000 52.454 1.0000 0.0000 1.56250E-02 0.7002 82 1
14099 . 108.68600 76.000 51.913 1.0000 0.0000 1.31579E-02 0.6992 82 1
14100 . 108.69299 68.000 51.517 1.0000 0.0000 1.47059E-02 0.7002 82 1
14101 . 108.70000 75.000 51.216 1.0000 0.0000 1.33333E-02 0.7002 82 1
14102 . 108.70699 64.000 50.979 1.0000 0.0000 1.56250E-02 0.7002 82 1
14103 . 108.71400 63.000 50.785 1.0000 0.0000 1.58730E-02 0.7002 82 1
14104 . 108.72101 65.000 50.623 1.0000 0.0000 1.53846E-02 0.6992 82 1
14105 . 108.72799 61.000 50.484 1.0000 0.0000 1.63934E-02 0.7002 82 1
14106 . 108.73500 75.000 50.364 1.0000 0.0000 1.33333E-02 0.7002 82 1
14107 . 108.74199 75.000 50.259 1.0000 0.0000 1.33333E-02 0.7002 82 1
14108 . 108.74900 65.000 50.166 1.0000 0.0000 1.53846E-02 0.7002 82 1
14109 . 108.75600 72.000 50.084 1.0000 0.0000 1.38889E-02 0.6992 82 1
14110 . 108.76299 68.000 50.012 1.0000 0.0000 1.47059E-02 0.7002 82 1
14111 . 108.77000 69.000 49.947 1.0000 0.0000 1.44928E-02 0.7002 82 1
14112 . 108.77699 64.000 49.889 1.0000 0.0000 1.56250E-02 0.7002 82 1
14113 . 108.78400 78.000 49.837 1.0000 0.0000 1.28205E-02 0.7002 82 1
14114 . 108.79101 69.000 49.790 1.0000 0.0000 1.44928E-02 0.6992 82 1
14115 . 108.79799 74.000 49.748 1.0000 0.0000 1.35135E-02 0.7002 82 1
14116 . 108.80500 76.000 49.710 1.0000 0.0000 1.31579E-02 0.7002 82 1
14117 . 108.81199 60.000 49.675 1.0000 0.0000 1.66667E-02 0.7002 82 1
14118 . 108.81900 65.000 49.644 1.0000 0.0000 1.53846E-02 0.7002 82 1
14119 . 108.82600 63.000 49.615 1.0000 0.0000 1.58730E-02 0.6992 82 1
14120 B 108.83298 63.000 49.074 1.0000 0.0000 1.58730E-02 0.7002 0 1
14121 B 108.84000 66.000 49.077 1.0000 0.0000 1.51515E-02 0.7002 0 1
14122 B 108.84699 62.000 49.081 1.0000 0.0000 1.61290E-02 0.7002 0 1
14123 B 108.85400 72.000 49.084 1.0000 0.0000 1.38889E-02 0.7002 0 1
14124 B 108.86101 63.000 49.088 1.0000 0.0000 1.58730E-02 0.6992 0 1
14125 B 108.86799 56.000 49.091 1.0000 0.0000 1.78571E-02 0.7002 0 1
14126 B 108.87500 68.000 49.094 1.0000 0.0000 1.47059E-02 0.7002 0 1
14127 B 108.88199 69.000 49.098 1.0000 0.0000 1.44928E-02 0.7002 0 1
14128 B 108.88901 58.000 49.101 1.0000 0.0000 1.72414E-02 0.7002 0 1
14129 B 108.89600 55.000 49.104 1.0000 0.0000 1.81818E-02 0.6992 0 1
14130 B 108.90298 59.000 49.108 1.0000 0.0000 1.69492E-02 0.7002 0 1
14131 B 108.91000 69.000 49.111 1.0000 0.0000 1.44928E-02 0.7002 0 1
14132 B 108.91699 66.000 49.115 1.0000 0.0000 1.51515E-02 0.7002 0 1
14133 B 108.92400 71.000 49.118 1.0000 0.0000 1.40845E-02 0.7002 0 1
14134 B 108.93101 67.000 49.121 1.0000 0.0000 1.49254E-02 0.6992 0 1
14135 B 108.93799 64.000 49.125 1.0000 0.0000 1.56250E-02 0.7002 0 1
14136 B 108.94500 61.000 49.128 1.0000 0.0000 1.63934E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 250
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14137 B 108.95200 62.000 49.132 1.0000 0.0000 1.61290E-02 0.7002 0 1
14138 B 108.95901 57.000 49.135 1.0000 0.0000 1.75439E-02 0.7002 0 1
14139 B 108.96600 60.000 49.138 1.0000 0.0000 1.66667E-02 0.6992 0 1
14140 B 108.97299 60.000 49.142 1.0000 0.0000 1.66667E-02 0.7002 0 1
14141 B 108.98000 63.000 49.145 1.0000 0.0000 1.58730E-02 0.7002 0 1
14142 B 108.98699 57.000 49.149 1.0000 0.0000 1.75439E-02 0.7002 0 1
14143 B 108.99400 53.000 49.152 1.0000 0.0000 1.88679E-02 0.7002 0 1
14144 B 109.00101 63.000 49.156 1.0000 0.0000 1.58730E-02 0.6992 0 1
14145 B 109.00799 57.000 49.159 1.0000 0.0000 1.75439E-02 0.7002 0 1
14146 B 109.01500 58.000 49.162 1.0000 0.0000 1.72414E-02 0.7002 0 1
14147 B 109.02200 58.000 49.166 1.0000 0.0000 1.72414E-02 0.7002 0 1
14148 B 109.02901 65.000 49.169 1.0000 0.0000 1.53846E-02 0.7002 0 1
14149 B 109.03600 64.000 49.173 1.0000 0.0000 1.56250E-02 0.6992 0 1
14150 B 109.04299 59.000 49.176 1.0000 0.0000 1.69492E-02 0.7002 0 1
14151 B 109.05000 66.000 49.180 1.0000 0.0000 1.51515E-02 0.7002 0 1
14152 B 109.05699 62.000 49.183 1.0000 0.0000 1.61290E-02 0.7002 0 1
14153 B 109.06400 68.000 49.187 1.0000 0.0000 1.47059E-02 0.7002 0 1
14154 B 109.07101 58.000 49.190 1.0000 0.0000 1.72414E-02 0.6992 0 1
14155 B 109.07799 48.000 49.194 1.0000 0.0000 2.08333E-02 0.7002 0 1
14156 B 109.08500 64.000 49.197 1.0000 0.0000 1.56250E-02 0.7002 0 1
14157 B 109.09200 58.000 49.200 1.0000 0.0000 1.72414E-02 0.7002 0 1
14158 B 109.09901 53.000 49.204 1.0000 0.0000 1.88679E-02 0.7002 0 1
14159 B 109.10600 57.000 49.207 1.0000 0.0000 1.75439E-02 0.6992 0 1
14160 B 109.11299 63.000 49.211 1.0000 0.0000 1.58730E-02 0.7002 0 1
14161 B 109.12000 60.000 49.214 1.0000 0.0000 1.66667E-02 0.7002 0 1
14162 B 109.12699 56.000 49.218 1.0000 0.0000 1.78571E-02 0.7002 0 1
14163 B 109.13400 59.000 49.221 1.0000 0.0000 1.69492E-02 0.7002 0 1
14164 B 109.14101 71.000 49.225 1.0000 0.0000 1.40845E-02 0.6992 0 1
14165 B 109.14799 69.000 49.228 1.0000 0.0000 1.44928E-02 0.7002 0 1
14166 B 109.15500 55.000 49.232 1.0000 0.0000 1.81818E-02 0.7002 0 1
14167 B 109.16199 60.000 49.235 1.0000 0.0000 1.66667E-02 0.7002 0 1
14168 B 109.16901 56.000 49.239 1.0000 0.0000 1.78571E-02 0.7002 0 1
14169 B 109.17600 64.000 49.242 1.0000 0.0000 1.56250E-02 0.6992 0 1
14170 B 109.18299 62.000 49.246 1.0000 0.0000 1.61290E-02 0.7002 0 1
14171 B 109.19000 62.000 49.249 1.0000 0.0000 1.61290E-02 0.7002 0 1
14172 B 109.19699 60.000 49.253 1.0000 0.0000 1.66667E-02 0.7002 0 1
14173 B 109.20400 55.000 49.256 1.0000 0.0000 1.81818E-02 0.7002 0 1
14174 B 109.21101 56.000 49.260 1.0000 0.0000 1.78571E-02 0.6992 0 1
14175 B 109.21799 51.000 49.263 1.0000 0.0000 1.96078E-02 0.7002 0 1
14176 B 109.22500 64.000 49.267 1.0000 0.0000 1.56250E-02 0.7002 0 1
14177 B 109.23199 51.000 49.270 1.0000 0.0000 1.96078E-02 0.7002 0 1
14178 B 109.23901 51.000 49.274 1.0000 0.0000 1.96078E-02 0.7002 0 1
14179 B 109.24600 64.000 49.278 1.0000 0.0000 1.56250E-02 0.6992 0 1
14180 B 109.25299 56.000 49.281 1.0000 0.0000 1.78571E-02 0.7002 0 1
14181 B 109.26000 56.000 49.285 1.0000 0.0000 1.78571E-02 0.7002 0 1
14182 B 109.26699 53.000 49.288 1.0000 0.0000 1.88679E-02 0.7002 0 1
14183 B 109.27400 75.000 49.292 1.0000 0.0000 1.33333E-02 0.7002 0 1
14184 B 109.28101 61.000 49.295 1.0000 0.0000 1.63934E-02 0.6992 0 1
14185 B 109.28799 54.000 49.299 1.0000 0.0000 1.85185E-02 0.7002 0 1
14186 B 109.29500 61.000 49.302 1.0000 0.0000 1.63934E-02 0.7002 0 1
14187 B 109.30199 55.000 49.306 1.0000 0.0000 1.81818E-02 0.7002 0 1
14188 B 109.30901 58.000 49.310 1.0000 0.0000 1.72414E-02 0.7002 0 1
14189 B 109.31601 62.000 49.313 1.0000 0.0000 1.61290E-02 0.6992 0 1
14190 B 109.32299 61.000 49.317 1.0000 0.0000 1.63934E-02 0.7002 0 1
14191 B 109.33000 53.000 49.320 1.0000 0.0000 1.88679E-02 0.7002 0 1
14192 B 109.33699 54.000 49.324 1.0000 0.0000 1.85185E-02 0.7002 0 1
14193 B 109.34400 54.000 49.327 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 251
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14194 B 109.35101 58.000 49.331 1.0000 0.0000 1.72414E-02 0.6992 0 1
14195 B 109.35799 60.000 49.335 1.0000 0.0000 1.66667E-02 0.7002 0 1
14196 B 109.36500 53.000 49.338 1.0000 0.0000 1.88679E-02 0.7002 0 1
14197 B 109.37199 59.000 49.342 1.0000 0.0000 1.69492E-02 0.7002 0 1
14198 B 109.37901 59.000 49.345 1.0000 0.0000 1.69492E-02 0.7002 0 1
14199 B 109.38601 50.000 49.349 1.0000 0.0000 2.00000E-02 0.6992 0 1
14200 B 109.39299 53.000 49.353 1.0000 0.0000 1.88679E-02 0.7002 0 1
14201 B 109.40000 49.000 49.356 1.0000 0.0000 2.04082E-02 0.7002 0 1
14202 B 109.40699 58.000 49.360 1.0000 0.0000 1.72414E-02 0.7002 0 1
14203 B 109.41400 56.000 49.363 1.0000 0.0000 1.78571E-02 0.7002 0 1
14204 B 109.42101 52.000 49.367 1.0000 0.0000 1.92308E-02 0.6992 0 1
14205 B 109.42799 53.000 49.371 1.0000 0.0000 1.88679E-02 0.7002 0 1
14206 B 109.43500 52.000 49.374 1.0000 0.0000 1.92308E-02 0.7002 0 1
14207 B 109.44199 53.000 49.378 1.0000 0.0000 1.88679E-02 0.7002 0 1
14208 B 109.44901 66.000 49.381 1.0000 0.0000 1.51515E-02 0.7002 0 1
14209 B 109.45601 62.000 49.385 1.0000 0.0000 1.61290E-02 0.6992 0 1
14210 B 109.46299 63.000 49.389 1.0000 0.0000 1.58730E-02 0.7002 0 1
14211 B 109.47000 52.000 49.392 1.0000 0.0000 1.92308E-02 0.7002 0 1
14212 B 109.47699 58.000 49.396 1.0000 0.0000 1.72414E-02 0.7002 0 1
14213 B 109.48400 64.000 49.400 1.0000 0.0000 1.56250E-02 0.7002 0 1
14214 B 109.49100 57.000 49.403 1.0000 0.0000 1.75439E-02 0.6992 0 1
14215 B 109.49799 56.000 49.407 1.0000 0.0000 1.78571E-02 0.7002 0 1
14216 B 109.50500 59.000 49.411 1.0000 0.0000 1.69492E-02 0.7002 0 1
14217 B 109.51199 55.000 49.414 1.0000 0.0000 1.81818E-02 0.7002 0 1
14218 B 109.51900 55.000 49.418 1.0000 0.0000 1.81818E-02 0.7002 0 1
14219 B 109.52601 53.000 49.422 1.0000 0.0000 1.88679E-02 0.6992 0 1
14220 B 109.53299 53.000 49.425 1.0000 0.0000 1.88679E-02 0.7002 0 1
14221 B 109.54000 69.000 49.429 1.0000 0.0000 1.44928E-02 0.7002 0 1
14222 B 109.54699 71.000 49.433 1.0000 0.0000 1.40845E-02 0.7002 0 1
14223 B 109.55400 51.000 49.436 1.0000 0.0000 1.96078E-02 0.7002 0 1
14224 B 109.56100 46.000 49.440 1.0000 0.0000 2.17391E-02 0.6992 0 1
14225 B 109.56799 55.000 49.444 1.0000 0.0000 1.81818E-02 0.7002 0 1
14226 B 109.57500 68.000 49.447 1.0000 0.0000 1.47059E-02 0.7002 0 1
14227 B 109.58199 58.000 49.451 1.0000 0.0000 1.72414E-02 0.7002 0 1
14228 B 109.58900 63.000 49.455 1.0000 0.0000 1.58730E-02 0.7002 0 1
14229 B 109.59601 62.000 49.458 1.0000 0.0000 1.61290E-02 0.6992 0 1
14230 B 109.60299 54.000 49.462 1.0000 0.0000 1.85185E-02 0.7002 0 1
14231 B 109.61000 52.000 49.466 1.0000 0.0000 1.92308E-02 0.7002 0 1
14232 B 109.61699 57.000 49.469 1.0000 0.0000 1.75439E-02 0.7002 0 1
14233 B 109.62400 48.000 49.473 1.0000 0.0000 2.08333E-02 0.7002 0 1
14234 B 109.63100 49.000 49.477 1.0000 0.0000 2.04082E-02 0.6992 0 1
14235 B 109.63799 54.000 49.480 1.0000 0.0000 1.85185E-02 0.7002 0 1
14236 B 109.64500 49.000 49.484 1.0000 0.0000 2.04082E-02 0.7002 0 1
14237 B 109.65199 54.000 49.488 1.0000 0.0000 1.85185E-02 0.7002 0 1
14238 B 109.65900 54.000 49.492 1.0000 0.0000 1.85185E-02 0.7002 0 1
14239 B 109.66601 54.000 49.495 1.0000 0.0000 1.85185E-02 0.6992 0 1
14240 B 109.67299 61.000 49.499 1.0000 0.0000 1.63934E-02 0.7002 0 1
14241 B 109.68000 56.000 49.503 1.0000 0.0000 1.78571E-02 0.7002 0 1
14242 B 109.68699 60.000 49.507 1.0000 0.0000 1.66667E-02 0.7002 0 1
14243 B 109.69400 48.000 49.510 1.0000 0.0000 2.08333E-02 0.7002 0 1
14244 B 109.70100 51.000 49.514 1.0000 0.0000 1.96078E-02 0.6992 0 1
14245 B 109.70798 56.000 49.518 1.0000 0.0000 1.78571E-02 0.7002 0 1
14246 B 109.71500 50.000 49.522 1.0000 0.0000 2.00000E-02 0.7002 0 1
14247 B 109.72199 48.000 49.525 1.0000 0.0000 2.08333E-02 0.7002 0 1
14248 B 109.72900 57.000 49.529 1.0000 0.0000 1.75439E-02 0.7002 0 1
14249 B 109.73601 63.000 49.533 1.0000 0.0000 1.58730E-02 0.6992 0 1
14250 B 109.74299 62.000 49.537 1.0000 0.0000 1.61290E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 252
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14251 B 109.75000 53.000 49.540 1.0000 0.0000 1.88679E-02 0.7002 0 1
14252 B 109.75699 52.000 49.544 1.0000 0.0000 1.92308E-02 0.7002 0 1
14253 B 109.76401 52.000 49.548 1.0000 0.0000 1.92308E-02 0.7002 0 1
14254 B 109.77100 58.000 49.552 1.0000 0.0000 1.72414E-02 0.6992 0 1
14255 B 109.77798 57.000 49.555 1.0000 0.0000 1.75439E-02 0.7002 0 1
14256 B 109.78500 49.000 49.559 1.0000 0.0000 2.04082E-02 0.7002 0 1
14257 B 109.79199 73.000 49.563 1.0000 0.0000 1.36986E-02 0.7002 0 1
14258 B 109.79900 54.000 49.567 1.0000 0.0000 1.85185E-02 0.7002 0 1
14259 B 109.80601 51.000 49.570 1.0000 0.0000 1.96078E-02 0.6992 0 1
14260 B 109.81299 54.000 49.574 1.0000 0.0000 1.85185E-02 0.7002 0 1
14261 B 109.82000 56.000 49.578 1.0000 0.0000 1.78571E-02 0.7002 0 1
14262 B 109.82700 51.000 49.582 1.0000 0.0000 1.96078E-02 0.7002 0 1
14263 B 109.83401 52.000 49.586 1.0000 0.0000 1.92308E-02 0.7002 0 1
14264 B 109.84100 56.000 49.589 1.0000 0.0000 1.78571E-02 0.6992 0 1
14265 B 109.84799 56.000 49.593 1.0000 0.0000 1.78571E-02 0.7002 0 1
14266 B 109.85500 56.000 49.597 1.0000 0.0000 1.78571E-02 0.7002 0 1
14267 B 109.86199 56.000 49.601 1.0000 0.0000 1.78571E-02 0.7002 0 1
14268 B 109.86900 55.000 49.605 1.0000 0.0000 1.81818E-02 0.7002 0 1
14269 B 109.87601 47.000 49.608 1.0000 0.0000 2.12766E-02 0.6992 0 1
14270 B 109.88299 49.000 49.612 1.0000 0.0000 2.04082E-02 0.7002 0 1
14271 B 109.89000 59.000 49.616 1.0000 0.0000 1.69492E-02 0.7002 0 1
14272 B 109.89700 48.000 49.620 1.0000 0.0000 2.08333E-02 0.7002 0 1
14273 B 109.90401 45.000 49.624 1.0000 0.0000 2.22222E-02 0.7002 0 1
14274 B 109.91100 58.000 49.628 1.0000 0.0000 1.72414E-02 0.6992 0 1
14275 B 109.91799 44.000 49.631 1.0000 0.0000 2.27273E-02 0.7002 0 1
14276 B 109.92500 52.000 49.635 1.0000 0.0000 1.92308E-02 0.7002 0 1
14277 B 109.93199 54.000 49.639 1.0000 0.0000 1.85185E-02 0.7002 0 1
14278 B 109.93900 56.000 49.643 1.0000 0.0000 1.78571E-02 0.7002 0 1
14279 B 109.94601 53.000 49.647 1.0000 0.0000 1.88679E-02 0.6992 0 1
14280 B 109.95299 42.000 49.651 1.0000 0.0000 2.38095E-02 0.7002 0 1
14281 B 109.96000 50.000 49.654 1.0000 0.0000 2.00000E-02 0.7002 0 1
14282 B 109.96700 55.000 49.658 1.0000 0.0000 1.81818E-02 0.7002 0 1
14283 B 109.97401 55.000 49.662 1.0000 0.0000 1.81818E-02 0.7002 0 1
14284 B 109.98100 66.000 49.666 1.0000 0.0000 1.51515E-02 0.6992 0 1
14285 B 109.98799 53.000 49.670 1.0000 0.0000 1.88679E-02 0.7002 0 1
14286 B 109.99500 48.000 49.674 1.0000 0.0000 2.08333E-02 0.7002 0 1
14287 B 110.00199 42.000 49.678 1.0000 0.0000 2.38095E-02 0.7002 0 1
14288 B 110.00900 66.000 49.681 1.0000 0.0000 1.51515E-02 0.7002 0 1
14289 B 110.01601 52.000 49.685 1.0000 0.0000 1.92308E-02 0.6992 0 1
14290 B 110.02299 54.000 49.689 1.0000 0.0000 1.85185E-02 0.7002 0 1
14291 B 110.03000 55.000 49.693 1.0000 0.0000 1.81818E-02 0.7002 0 1
14292 B 110.03699 52.000 49.697 1.0000 0.0000 1.92308E-02 0.7002 0 1
14293 B 110.04401 47.000 49.701 1.0000 0.0000 2.12766E-02 0.7002 0 1
14294 B 110.05100 55.000 49.705 1.0000 0.0000 1.81818E-02 0.6992 0 1
14295 B 110.05799 52.000 49.709 1.0000 0.0000 1.92308E-02 0.7002 0 1
14296 B 110.06500 53.000 49.713 1.0000 0.0000 1.88679E-02 0.7002 0 1
14297 B 110.07199 45.000 49.716 1.0000 0.0000 2.22222E-02 0.7002 0 1
14298 B 110.07900 38.000 49.720 1.0000 0.0000 2.63158E-02 0.7002 0 1
14299 B 110.08601 54.000 49.724 1.0000 0.0000 1.85185E-02 0.6992 0 1
14300 B 110.09299 51.000 49.728 1.0000 0.0000 1.96078E-02 0.7002 0 1
14301 B 110.10000 52.000 49.732 1.0000 0.0000 1.92308E-02 0.7002 0 1
14302 B 110.10699 39.000 49.736 1.0000 0.0000 2.56410E-02 0.7002 0 1
14303 B 110.11401 57.000 49.740 1.0000 0.0000 1.75439E-02 0.7002 0 1
14304 B 110.12100 49.000 49.744 1.0000 0.0000 2.04082E-02 0.6992 0 1
14305 B 110.12799 52.000 49.748 1.0000 0.0000 1.92308E-02 0.7002 0 1
14306 B 110.13500 47.000 49.752 1.0000 0.0000 2.12766E-02 0.7002 0 1
14307 B 110.14199 60.000 49.756 1.0000 0.0000 1.66667E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 253
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14308 B 110.14900 57.000 49.760 1.0000 0.0000 1.75439E-02 0.7002 0 1
14309 B 110.15601 50.000 49.764 1.0000 0.0000 2.00000E-02 0.6992 0 1
14310 B 110.16299 47.000 49.767 1.0000 0.0000 2.12766E-02 0.7002 0 1
14311 B 110.17000 47.000 49.771 1.0000 0.0000 2.12766E-02 0.7002 0 1
14312 B 110.17699 56.000 49.775 1.0000 0.0000 1.78571E-02 0.7002 0 1
14313 B 110.18401 59.000 49.779 1.0000 0.0000 1.69492E-02 0.7002 0 1
14314 B 110.19101 51.000 49.783 1.0000 0.0000 1.96078E-02 0.6992 0 1
14315 B 110.19799 47.000 49.787 1.0000 0.0000 2.12766E-02 0.7002 0 1
14316 B 110.20500 56.000 49.791 1.0000 0.0000 1.78571E-02 0.7002 0 1
14317 B 110.21199 51.000 49.795 1.0000 0.0000 1.96078E-02 0.7002 0 1
14318 B 110.21900 58.000 49.799 1.0000 0.0000 1.72414E-02 0.7002 0 1
14319 B 110.22601 55.000 49.803 1.0000 0.0000 1.81818E-02 0.6992 0 1
14320 B 110.23299 42.000 49.807 1.0000 0.0000 2.38095E-02 0.7002 0 1
14321 B 110.24000 52.000 49.811 1.0000 0.0000 1.92308E-02 0.7002 0 1
14322 B 110.24699 46.000 49.815 1.0000 0.0000 2.17391E-02 0.7002 0 1
14323 B 110.25401 61.000 49.819 1.0000 0.0000 1.63934E-02 0.7002 0 1
14324 B 110.26101 47.000 49.823 1.0000 0.0000 2.12766E-02 0.6992 0 1
14325 B 110.26799 45.000 49.827 1.0000 0.0000 2.22222E-02 0.7002 0 1
14326 B 110.27500 44.000 49.831 1.0000 0.0000 2.27273E-02 0.7002 0 1
14327 B 110.28199 46.000 49.835 1.0000 0.0000 2.17391E-02 0.7002 0 1
14328 B 110.28900 47.000 49.839 1.0000 0.0000 2.12766E-02 0.7002 0 1
14329 B 110.29601 43.000 49.843 1.0000 0.0000 2.32558E-02 0.6992 0 1
14330 B 110.30299 46.000 49.847 1.0000 0.0000 2.17391E-02 0.7002 0 1
14331 B 110.31000 50.000 49.851 1.0000 0.0000 2.00000E-02 0.7002 0 1
14332 B 110.31699 47.000 49.855 1.0000 0.0000 2.12766E-02 0.7002 0 1
14333 B 110.32401 45.000 49.859 1.0000 0.0000 2.22222E-02 0.7002 0 1
14334 B 110.33101 49.000 49.863 1.0000 0.0000 2.04082E-02 0.6992 0 1
14335 B 110.33799 53.000 49.867 1.0000 0.0000 1.88679E-02 0.7002 0 1
14336 B 110.34500 50.000 49.871 1.0000 0.0000 2.00000E-02 0.7002 0 1
14337 B 110.35199 54.000 49.875 1.0000 0.0000 1.85185E-02 0.7002 0 1
14338 B 110.35900 52.000 49.879 1.0000 0.0000 1.92308E-02 0.7002 0 1
14339 B 110.36600 52.000 49.883 1.0000 0.0000 1.92308E-02 0.6992 0 1
14340 B 110.37299 47.000 49.887 1.0000 0.0000 2.12766E-02 0.7002 0 1
14341 B 110.38000 49.000 49.891 1.0000 0.0000 2.04082E-02 0.7002 0 1
14342 B 110.38699 55.000 49.895 1.0000 0.0000 1.81818E-02 0.7002 0 1
14343 B 110.39400 46.000 49.899 1.0000 0.0000 2.17391E-02 0.7002 0 1
14344 B 110.40101 45.000 49.903 1.0000 0.0000 2.22222E-02 0.6992 0 1
14345 B 110.40799 47.000 49.907 1.0000 0.0000 2.12766E-02 0.7002 0 1
14346 B 110.41500 43.000 49.911 1.0000 0.0000 2.32558E-02 0.7002 0 1
14347 B 110.42199 49.000 49.915 1.0000 0.0000 2.04082E-02 0.7002 0 1
14348 B 110.42900 53.000 49.919 1.0000 0.0000 1.88679E-02 0.7002 0 1
14349 B 110.43600 39.000 49.923 1.0000 0.0000 2.56410E-02 0.6992 0 1
14350 B 110.44299 53.000 49.928 1.0000 0.0000 1.88679E-02 0.7002 0 1
14351 B 110.45000 52.000 49.932 1.0000 0.0000 1.92308E-02 0.7002 0 1
14352 B 110.45699 53.000 49.936 1.0000 0.0000 1.88679E-02 0.7002 0 1
14353 B 110.46400 52.000 49.940 1.0000 0.0000 1.92308E-02 0.7002 0 1
14354 B 110.47101 66.000 49.944 1.0000 0.0000 1.51515E-02 0.6992 0 1
14355 B 110.47799 56.000 49.948 1.0000 0.0000 1.78571E-02 0.7002 0 1
14356 B 110.48500 44.000 49.952 1.0000 0.0000 2.27273E-02 0.7002 0 1
14357 B 110.49199 43.000 49.956 1.0000 0.0000 2.32558E-02 0.7002 0 1
14358 B 110.49900 43.000 49.960 1.0000 0.0000 2.32558E-02 0.7002 0 1
14359 B 110.50600 49.000 49.964 1.0000 0.0000 2.04082E-02 0.6992 0 1
14360 B 110.51299 46.000 49.968 1.0000 0.0000 2.17391E-02 0.7002 0 1
14361 B 110.52000 50.000 49.972 1.0000 0.0000 2.00000E-02 0.7002 0 1
14362 B 110.52699 49.000 49.977 1.0000 0.0000 2.04082E-02 0.7002 0 1
14363 B 110.53400 47.000 49.981 1.0000 0.0000 2.12766E-02 0.7002 0 1
14364 B 110.54101 44.000 49.985 1.0000 0.0000 2.27273E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 254
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14365 B 110.54799 55.000 49.989 1.0000 0.0000 1.81818E-02 0.7002 0 1
14366 B 110.55500 43.000 49.993 1.0000 0.0000 2.32558E-02 0.7002 0 1
14367 B 110.56199 44.000 49.997 1.0000 0.0000 2.27273E-02 0.7002 0 1
14368 B 110.56900 44.000 50.001 1.0000 0.0000 2.27273E-02 0.7002 0 1
14369 B 110.57600 41.000 50.005 1.0000 0.0000 2.43902E-02 0.6992 0 1
14370 B 110.58298 42.000 50.009 1.0000 0.0000 2.38095E-02 0.7002 0 1
14371 B 110.59000 46.000 50.014 1.0000 0.0000 2.17391E-02 0.7002 0 1
14372 B 110.59699 53.000 50.018 1.0000 0.0000 1.88679E-02 0.7002 0 1
14373 B 110.60400 51.000 50.022 1.0000 0.0000 1.96078E-02 0.7002 0 1
14374 B 110.61101 49.000 50.026 1.0000 0.0000 2.04082E-02 0.6992 0 1
14375 B 110.61799 43.000 50.030 1.0000 0.0000 2.32558E-02 0.7002 0 1
14376 B 110.62500 47.000 50.034 1.0000 0.0000 2.12766E-02 0.7002 0 1
14377 B 110.63199 49.000 50.038 1.0000 0.0000 2.04082E-02 0.7002 0 1
14378 B 110.63901 52.000 50.043 1.0000 0.0000 1.92308E-02 0.7002 0 1
14379 B 110.64600 56.000 50.047 1.0000 0.0000 1.78571E-02 0.6992 0 1
14380 B 110.65298 44.000 50.051 1.0000 0.0000 2.27273E-02 0.7002 0 1
14381 B 110.66000 39.000 50.055 1.0000 0.0000 2.56410E-02 0.7002 0 1
14382 B 110.66699 45.000 50.059 1.0000 0.0000 2.22222E-02 0.7002 0 1
14383 B 110.67400 40.000 50.063 1.0000 0.0000 2.50000E-02 0.7002 0 1
14384 B 110.68101 37.000 50.068 1.0000 0.0000 2.70270E-02 0.6992 0 1
14385 B 110.68799 41.000 50.072 1.0000 0.0000 2.43902E-02 0.7002 0 1
14386 B 110.69500 44.000 50.076 1.0000 0.0000 2.27273E-02 0.7002 0 1
14387 B 110.70200 45.000 50.080 1.0000 0.0000 2.22222E-02 0.7002 0 1
14388 B 110.70901 52.000 50.084 1.0000 0.0000 1.92308E-02 0.7002 0 1
14389 B 110.71600 53.000 50.088 1.0000 0.0000 1.88679E-02 0.6992 0 1
14390 B 110.72299 55.000 50.093 1.0000 0.0000 1.81818E-02 0.7002 0 1
14391 B 110.73000 48.000 50.097 1.0000 0.0000 2.08333E-02 0.7002 0 1
14392 B 110.73699 56.000 50.101 1.0000 0.0000 1.78571E-02 0.7002 0 1
14393 B 110.74400 60.000 50.105 1.0000 0.0000 1.66667E-02 0.7002 0 1
14394 B 110.75101 40.000 50.109 1.0000 0.0000 2.50000E-02 0.6992 0 1
14395 B 110.75799 63.000 50.114 1.0000 0.0000 1.58730E-02 0.7002 0 1
14396 B 110.76500 42.000 50.118 1.0000 0.0000 2.38095E-02 0.7002 0 1
14397 B 110.77200 36.000 50.122 1.0000 0.0000 2.77778E-02 0.7002 0 1
14398 B 110.77901 40.000 50.126 1.0000 0.0000 2.50000E-02 0.7002 0 1
14399 B 110.78600 46.000 50.130 1.0000 0.0000 2.17391E-02 0.6992 0 1
14400 B 110.79299 51.000 50.135 1.0000 0.0000 1.96078E-02 0.7002 0 1
14401 B 110.80000 52.000 50.139 1.0000 0.0000 1.92308E-02 0.7002 0 1
14402 B 110.80699 46.000 50.143 1.0000 0.0000 2.17391E-02 0.7002 0 1
14403 B 110.81400 44.000 50.147 1.0000 0.0000 2.27273E-02 0.7002 0 1
14404 B 110.82101 47.000 50.151 1.0000 0.0000 2.12766E-02 0.6992 0 1
14405 B 110.82799 50.000 50.156 1.0000 0.0000 2.00000E-02 0.7002 0 1
14406 B 110.83500 48.000 50.160 1.0000 0.0000 2.08333E-02 0.7002 0 1
14407 B 110.84200 47.000 50.164 1.0000 0.0000 2.12766E-02 0.7002 0 1
14408 B 110.84901 48.000 50.168 1.0000 0.0000 2.08333E-02 0.7002 0 1
14409 B 110.85600 41.000 50.173 1.0000 0.0000 2.43902E-02 0.6992 0 1
14410 B 110.86299 52.000 50.177 1.0000 0.0000 1.92308E-02 0.7002 0 1
14411 B 110.87000 53.000 50.181 1.0000 0.0000 1.88679E-02 0.7002 0 1
14412 B 110.87699 41.000 50.185 1.0000 0.0000 2.43902E-02 0.7002 0 1
14413 B 110.88400 45.000 50.190 1.0000 0.0000 2.22222E-02 0.7002 0 1
14414 B 110.89101 47.000 50.194 1.0000 0.0000 2.12766E-02 0.6992 0 1
14415 B 110.89799 46.000 50.198 1.0000 0.0000 2.17391E-02 0.7002 0 1
14416 B 110.90500 52.000 50.202 1.0000 0.0000 1.92308E-02 0.7002 0 1
14417 B 110.91199 43.000 50.207 1.0000 0.0000 2.32558E-02 0.7002 0 1
14418 B 110.91901 43.000 50.211 1.0000 0.0000 2.32558E-02 0.7002 0 1
14419 B 110.92600 50.000 50.215 1.0000 0.0000 2.00000E-02 0.6992 0 1
14420 B 110.93299 53.000 50.220 1.0000 0.0000 1.88679E-02 0.7002 0 1
14421 B 110.94000 49.000 50.224 1.0000 0.0000 2.04082E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 255
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14422 B 110.94699 41.000 50.228 1.0000 0.0000 2.43902E-02 0.7002 0 1
14423 B 110.95400 46.000 50.232 1.0000 0.0000 2.17391E-02 0.7002 0 1
14424 B 110.96101 54.000 50.237 1.0000 0.0000 1.85185E-02 0.6992 0 1
14425 B 110.96799 50.000 50.241 1.0000 0.0000 2.00000E-02 0.7002 0 1
14426 B 110.97500 48.000 50.245 1.0000 0.0000 2.08333E-02 0.7002 0 1
14427 B 110.98199 46.000 50.250 1.0000 0.0000 2.17391E-02 0.7002 0 1
14428 B 110.98901 48.000 50.254 1.0000 0.0000 2.08333E-02 0.7002 0 1
14429 B 110.99600 43.000 50.258 1.0000 0.0000 2.32558E-02 0.6992 0 1
14430 B 111.00299 45.000 50.263 1.0000 0.0000 2.22222E-02 0.7002 0 1
14431 B 111.01000 48.000 50.267 1.0000 0.0000 2.08333E-02 0.7002 0 1
14432 B 111.01699 44.000 50.271 1.0000 0.0000 2.27273E-02 0.7002 0 1
14433 B 111.02400 42.000 50.275 1.0000 0.0000 2.38095E-02 0.7002 0 1
14434 B 111.03101 46.000 50.280 1.0000 0.0000 2.17391E-02 0.6992 0 1
14435 B 111.03799 35.000 50.284 1.0000 0.0000 2.85714E-02 0.7002 0 1
14436 B 111.04500 40.000 50.288 1.0000 0.0000 2.50000E-02 0.7002 0 1
14437 B 111.05199 48.000 50.293 1.0000 0.0000 2.08333E-02 0.7002 0 1
14438 B 111.05901 52.000 50.297 1.0000 0.0000 1.92308E-02 0.7002 0 1
14439 B 111.06601 48.000 50.301 1.0000 0.0000 2.08333E-02 0.6992 0 1
14440 B 111.07299 59.000 50.306 1.0000 0.0000 1.69492E-02 0.7002 0 1
14441 B 111.08000 65.000 50.310 1.0000 0.0000 1.53846E-02 0.7002 0 1
14442 B 111.08699 43.000 50.314 1.0000 0.0000 2.32558E-02 0.7002 0 1
14443 B 111.09400 41.000 50.319 1.0000 0.0000 2.43902E-02 0.7002 0 1
14444 B 111.10101 47.000 50.323 1.0000 0.0000 2.12766E-02 0.6992 0 1
14445 B 111.10799 40.000 50.328 1.0000 0.0000 2.50000E-02 0.7002 0 1
14446 B 111.11500 45.000 50.332 1.0000 0.0000 2.22222E-02 0.7002 0 1
14447 B 111.12199 44.000 50.336 1.0000 0.0000 2.27273E-02 0.7002 0 1
14448 B 111.12901 42.000 50.341 1.0000 0.0000 2.38095E-02 0.7002 0 1
14449 B 111.13601 45.000 50.345 1.0000 0.0000 2.22222E-02 0.6992 0 1
14450 B 111.14299 55.000 50.349 1.0000 0.0000 1.81818E-02 0.7002 0 1
14451 B 111.15000 54.000 50.354 1.0000 0.0000 1.85185E-02 0.7002 0 1
14452 B 111.15699 49.000 50.358 1.0000 0.0000 2.04082E-02 0.7002 0 1
14453 B 111.16400 50.000 50.362 1.0000 0.0000 2.00000E-02 0.7002 0 1
14454 B 111.17101 46.000 50.367 1.0000 0.0000 2.17391E-02 0.6992 0 1
14455 B 111.17799 58.000 50.371 1.0000 0.0000 1.72414E-02 0.7002 0 1
14456 B 111.18500 39.000 50.376 1.0000 0.0000 2.56410E-02 0.7002 0 1
14457 B 111.19199 45.000 50.380 1.0000 0.0000 2.22222E-02 0.7002 0 1
14458 B 111.19901 57.000 50.384 1.0000 0.0000 1.75439E-02 0.7002 0 1
14459 B 111.20601 52.000 50.389 1.0000 0.0000 1.92308E-02 0.6992 0 1
14460 B 111.21299 44.000 50.393 1.0000 0.0000 2.27273E-02 0.7002 0 1
14461 B 111.22000 48.000 50.398 1.0000 0.0000 2.08333E-02 0.7002 0 1
14462 B 111.22699 46.000 50.402 1.0000 0.0000 2.17391E-02 0.7002 0 1
14463 B 111.23400 43.000 50.406 1.0000 0.0000 2.32558E-02 0.7002 0 1
14464 B 111.24100 43.000 50.411 1.0000 0.0000 2.32558E-02 0.6992 0 1
14465 B 111.24799 38.000 50.415 1.0000 0.0000 2.63158E-02 0.7002 0 1
14466 B 111.25500 45.000 50.420 1.0000 0.0000 2.22222E-02 0.7002 0 1
14467 B 111.26199 55.000 50.424 1.0000 0.0000 1.81818E-02 0.7002 0 1
14468 B 111.26900 47.000 50.429 1.0000 0.0000 2.12766E-02 0.7002 0 1
14469 B 111.27601 52.000 50.433 1.0000 0.0000 1.92308E-02 0.6992 0 1
14470 B 111.28299 54.000 50.437 1.0000 0.0000 1.85185E-02 0.7002 0 1
14471 B 111.29000 61.000 50.442 1.0000 0.0000 1.63934E-02 0.7002 0 1
14472 B 111.29699 66.000 50.446 1.0000 0.0000 1.51515E-02 0.7002 0 1
14473 B 111.30400 51.000 50.451 1.0000 0.0000 1.96078E-02 0.7002 0 1
14474 B 111.31100 53.000 50.455 1.0000 0.0000 1.88679E-02 0.6992 0 1
14475 B 111.31799 57.000 50.460 1.0000 0.0000 1.75439E-02 0.7002 0 1
14476 B 111.32500 53.000 50.464 1.0000 0.0000 1.88679E-02 0.7002 0 1
14477 B 111.33199 46.000 50.468 1.0000 0.0000 2.17391E-02 0.7002 0 1
14478 B 111.33900 41.000 50.473 1.0000 0.0000 2.43902E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 256
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14479 B 111.34601 52.000 50.477 1.0000 0.0000 1.92308E-02 0.6992 0 1
14480 B 111.35299 52.000 50.482 1.0000 0.0000 1.92308E-02 0.7002 0 1
14481 B 111.36000 40.000 50.486 1.0000 0.0000 2.50000E-02 0.7002 0 1
14482 B 111.36699 41.000 50.491 1.0000 0.0000 2.43902E-02 0.7002 0 1
14483 B 111.37400 42.000 50.495 1.0000 0.0000 2.38095E-02 0.7002 0 1
14484 B 111.38100 45.000 50.500 1.0000 0.0000 2.22222E-02 0.6992 0 1
14485 B 111.38799 52.000 50.504 1.0000 0.0000 1.92308E-02 0.7002 0 1
14486 B 111.39500 48.000 50.509 1.0000 0.0000 2.08333E-02 0.7002 0 1
14487 B 111.40199 48.000 50.513 1.0000 0.0000 2.08333E-02 0.7002 0 1
14488 B 111.40900 47.000 50.518 1.0000 0.0000 2.12766E-02 0.7002 0 1
14489 B 111.41601 55.000 50.522 1.0000 0.0000 1.81818E-02 0.6992 0 1
14490 B 111.42299 45.000 50.527 1.0000 0.0000 2.22222E-02 0.7002 0 1
14491 B 111.43000 46.000 50.531 1.0000 0.0000 2.17391E-02 0.7002 0 1
14492 B 111.43699 60.000 50.536 1.0000 0.0000 1.66667E-02 0.7002 0 1
14493 B 111.44400 56.000 50.540 1.0000 0.0000 1.78571E-02 0.7002 0 1
14494 B 111.45100 52.000 50.545 1.0000 0.0000 1.92308E-02 0.6992 0 1
14495 B 111.45798 46.000 50.549 1.0000 0.0000 2.17391E-02 0.7002 0 1
14496 B 111.46500 47.000 50.554 1.0000 0.0000 2.12766E-02 0.7002 0 1
14497 B 111.47199 45.000 50.558 1.0000 0.0000 2.22222E-02 0.7002 0 1
14498 B 111.47900 39.000 50.563 1.0000 0.0000 2.56410E-02 0.7002 0 1
14499 B 111.48601 42.000 50.567 1.0000 0.0000 2.38095E-02 0.6992 0 1
14500 B 111.49299 50.000 50.572 1.0000 0.0000 2.00000E-02 0.7002 0 1
14501 B 111.50000 48.000 50.576 1.0000 0.0000 2.08333E-02 0.7002 0 1
14502 B 111.50699 57.000 50.581 1.0000 0.0000 1.75439E-02 0.7002 0 1
14503 B 111.51401 43.000 50.585 1.0000 0.0000 2.32558E-02 0.7002 0 1
14504 B 111.52100 50.000 50.590 1.0000 0.0000 2.00000E-02 0.6992 0 1
14505 B 111.52798 50.000 50.594 1.0000 0.0000 2.00000E-02 0.7002 0 1
14506 B 111.53500 44.000 50.599 1.0000 0.0000 2.27273E-02 0.7002 0 1
14507 B 111.54199 48.000 50.604 1.0000 0.0000 2.08333E-02 0.7002 0 1
14508 B 111.54900 49.000 50.608 1.0000 0.0000 2.04082E-02 0.7002 0 1
14509 B 111.55601 47.000 50.613 1.0000 0.0000 2.12766E-02 0.6992 0 1
14510 B 111.56299 48.000 50.617 1.0000 0.0000 2.08333E-02 0.7002 0 1
14511 B 111.57000 38.000 50.622 1.0000 0.0000 2.63158E-02 0.7002 0 1
14512 B 111.57700 42.000 50.626 1.0000 0.0000 2.38095E-02 0.7002 0 1
14513 B 111.58401 48.000 50.631 1.0000 0.0000 2.08333E-02 0.7002 0 1
14514 B 111.59100 45.000 50.635 1.0000 0.0000 2.22222E-02 0.6992 0 1
14515 B 111.59799 47.000 50.640 1.0000 0.0000 2.12766E-02 0.7002 0 1
14516 B 111.60500 47.000 50.645 1.0000 0.0000 2.12766E-02 0.7002 0 1
14517 B 111.61199 53.000 50.649 1.0000 0.0000 1.88679E-02 0.7002 0 1
14518 B 111.61900 48.000 50.654 1.0000 0.0000 2.08333E-02 0.7002 0 1
14519 B 111.62601 54.000 50.658 1.0000 0.0000 1.85185E-02 0.6992 0 1
14520 B 111.63299 49.000 50.663 1.0000 0.0000 2.04082E-02 0.7002 0 1
14521 B 111.64000 42.000 50.667 1.0000 0.0000 2.38095E-02 0.7002 0 1
14522 B 111.64700 51.000 50.672 1.0000 0.0000 1.96078E-02 0.7002 0 1
14523 B 111.65401 46.000 50.677 1.0000 0.0000 2.17391E-02 0.7002 0 1
14524 B 111.66100 44.000 50.681 1.0000 0.0000 2.27273E-02 0.6992 0 1
14525 B 111.66799 45.000 50.686 1.0000 0.0000 2.22222E-02 0.7002 0 1
14526 B 111.67500 42.000 50.690 1.0000 0.0000 2.38095E-02 0.7002 0 1
14527 B 111.68199 41.000 50.695 1.0000 0.0000 2.43902E-02 0.7002 0 1
14528 B 111.68900 41.000 50.700 1.0000 0.0000 2.43902E-02 0.7002 0 1
14529 B 111.69601 44.000 50.704 1.0000 0.0000 2.27273E-02 0.6992 0 1
14530 B 111.70299 48.000 50.709 1.0000 0.0000 2.08333E-02 0.7002 0 1
14531 B 111.71000 44.000 50.714 1.0000 0.0000 2.27273E-02 0.7002 0 1
14532 B 111.71700 63.000 50.718 1.0000 0.0000 1.58730E-02 0.7002 0 1
14533 B 111.72401 39.000 50.723 1.0000 0.0000 2.56410E-02 0.7002 0 1
14534 B 111.73100 39.000 50.727 1.0000 0.0000 2.56410E-02 0.6992 0 1
14535 B 111.73799 50.000 50.732 1.0000 0.0000 2.00000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 257
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14536 B 111.74500 55.000 50.737 1.0000 0.0000 1.81818E-02 0.7002 0 1
14537 B 111.75199 52.000 50.741 1.0000 0.0000 1.92308E-02 0.7002 0 1
14538 B 111.75900 48.000 50.746 1.0000 0.0000 2.08333E-02 0.7002 0 1
14539 B 111.76601 49.000 50.751 1.0000 0.0000 2.04082E-02 0.6992 0 1
14540 B 111.77299 46.000 50.755 1.0000 0.0000 2.17391E-02 0.7002 0 1
14541 B 111.78000 45.000 50.760 1.0000 0.0000 2.22222E-02 0.7002 0 1
14542 B 111.78699 50.000 50.765 1.0000 0.0000 2.00000E-02 0.7002 0 1
14543 B 111.79401 43.000 50.769 1.0000 0.0000 2.32558E-02 0.7002 0 1
14544 B 111.80100 55.000 50.774 1.0000 0.0000 1.81818E-02 0.6992 0 1
14545 B 111.80799 53.000 50.779 1.0000 0.0000 1.88679E-02 0.7002 0 1
14546 B 111.81500 48.000 50.783 1.0000 0.0000 2.08333E-02 0.7002 0 1
14547 B 111.82199 38.000 50.788 1.0000 0.0000 2.63158E-02 0.7002 0 1
14548 B 111.82900 29.000 50.793 1.0000 0.0000 3.44828E-02 0.7002 0 1
14549 B 111.83601 54.000 50.797 1.0000 0.0000 1.85185E-02 0.6992 0 1
14550 B 111.84299 64.000 50.802 1.0000 0.0000 1.56250E-02 0.7002 0 1
14551 B 111.85000 51.000 50.807 1.0000 0.0000 1.96078E-02 0.7002 0 1
14552 B 111.85699 39.000 50.811 1.0000 0.0000 2.56410E-02 0.7002 0 1
14553 B 111.86401 42.000 50.816 1.0000 0.0000 2.38095E-02 0.7002 0 1
14554 B 111.87100 51.000 50.821 1.0000 0.0000 1.96078E-02 0.6992 0 1
14555 B 111.87799 57.000 50.825 1.0000 0.0000 1.75439E-02 0.7002 0 1
14556 B 111.88500 47.000 50.830 1.0000 0.0000 2.12766E-02 0.7002 0 1
14557 B 111.89199 57.000 50.835 1.0000 0.0000 1.75439E-02 0.7002 0 1
14558 B 111.89900 51.000 50.839 1.0000 0.0000 1.96078E-02 0.7002 0 1
14559 B 111.90601 41.000 50.844 1.0000 0.0000 2.43902E-02 0.6992 0 1
14560 B 111.91299 42.000 50.849 1.0000 0.0000 2.38095E-02 0.7002 0 1
14561 B 111.92000 48.000 50.854 1.0000 0.0000 2.08333E-02 0.7002 0 1
14562 B 111.92699 49.000 50.858 1.0000 0.0000 2.04082E-02 0.7002 0 1
14563 B 111.93401 41.000 50.863 1.0000 0.0000 2.43902E-02 0.7002 0 1
14564 B 111.94101 47.000 50.868 1.0000 0.0000 2.12766E-02 0.6992 0 1
14565 B 111.94799 46.000 50.872 1.0000 0.0000 2.17391E-02 0.7002 0 1
14566 B 111.95500 52.000 50.877 1.0000 0.0000 1.92308E-02 0.7002 0 1
14567 B 111.96199 49.000 50.882 1.0000 0.0000 2.04082E-02 0.7002 0 1
14568 B 111.96900 54.000 50.887 1.0000 0.0000 1.85185E-02 0.7002 0 1
14569 B 111.97601 51.000 50.891 1.0000 0.0000 1.96078E-02 0.6992 0 1
14570 B 111.98299 54.000 50.896 1.0000 0.0000 1.85185E-02 0.7002 0 1
14571 B 111.99000 46.000 50.901 1.0000 0.0000 2.17391E-02 0.7002 0 1
14572 B 111.99699 41.000 50.906 1.0000 0.0000 2.43902E-02 0.7002 0 1
14573 B 112.00401 54.000 50.910 1.0000 0.0000 1.85185E-02 0.7002 0 1
14574 B 112.01101 40.000 50.915 1.0000 0.0000 2.50000E-02 0.6992 0 1
14575 B 112.01799 43.000 50.920 1.0000 0.0000 2.32558E-02 0.7002 0 1
14576 B 112.02500 45.000 50.925 1.0000 0.0000 2.22222E-02 0.7002 0 1
14577 B 112.03199 41.000 50.929 1.0000 0.0000 2.43902E-02 0.7002 0 1
14578 B 112.03900 34.000 50.934 1.0000 0.0000 2.94118E-02 0.7002 0 1
14579 B 112.04601 47.000 50.939 1.0000 0.0000 2.12766E-02 0.6992 0 1
14580 B 112.05299 41.000 50.944 1.0000 0.0000 2.43902E-02 0.7002 0 1
14581 B 112.06000 35.000 50.948 1.0000 0.0000 2.85714E-02 0.7002 0 1
14582 B 112.06699 37.000 50.953 1.0000 0.0000 2.70270E-02 0.7002 0 1
14583 B 112.07401 45.000 50.958 1.0000 0.0000 2.22222E-02 0.7002 0 1
14584 B 112.08101 45.000 50.963 1.0000 0.0000 2.22222E-02 0.6992 0 1
14585 B 112.08799 45.000 50.968 1.0000 0.0000 2.22222E-02 0.7002 0 1
14586 B 112.09500 48.000 50.972 1.0000 0.0000 2.08333E-02 0.7002 0 1
14587 B 112.10199 51.000 50.977 1.0000 0.0000 1.96078E-02 0.7002 0 1
14588 B 112.10900 46.000 50.982 1.0000 0.0000 2.17391E-02 0.7002 0 1
14589 B 112.11600 36.000 50.987 1.0000 0.0000 2.77778E-02 0.6992 0 1
14590 B 112.12299 55.000 50.992 1.0000 0.0000 1.81818E-02 0.7002 0 1
14591 B 112.13000 53.000 50.996 1.0000 0.0000 1.88679E-02 0.7002 0 1
14592 B 112.13699 53.000 51.001 1.0000 0.0000 1.88679E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 258
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14593 B 112.14400 57.000 51.006 1.0000 0.0000 1.75439E-02 0.7002 0 1
14594 B 112.15101 57.000 51.011 1.0000 0.0000 1.75439E-02 0.6992 0 1
14595 B 112.15799 51.000 51.016 1.0000 0.0000 1.96078E-02 0.7002 0 1
14596 B 112.16500 53.000 51.020 1.0000 0.0000 1.88679E-02 0.7002 0 1
14597 B 112.17199 45.000 51.025 1.0000 0.0000 2.22222E-02 0.7002 0 1
14598 B 112.17900 42.000 51.030 1.0000 0.0000 2.38095E-02 0.7002 0 1
14599 B 112.18600 50.000 51.035 1.0000 0.0000 2.00000E-02 0.6992 0 1
14600 B 112.19299 48.000 51.040 1.0000 0.0000 2.08333E-02 0.7002 0 1
14601 B 112.20000 54.000 51.045 1.0000 0.0000 1.85185E-02 0.7002 0 1
14602 B 112.20699 48.000 51.049 1.0000 0.0000 2.08333E-02 0.7002 0 1
14603 B 112.21400 51.000 51.054 1.0000 0.0000 1.96078E-02 0.7002 0 1
14604 B 112.22101 45.000 51.059 1.0000 0.0000 2.22222E-02 0.6992 0 1
14605 B 112.22799 46.000 51.064 1.0000 0.0000 2.17391E-02 0.7002 0 1
14606 B 112.23500 38.000 51.069 1.0000 0.0000 2.63158E-02 0.7002 0 1
14607 B 112.24199 46.000 51.074 1.0000 0.0000 2.17391E-02 0.7002 0 1
14608 B 112.24900 50.000 51.078 1.0000 0.0000 2.00000E-02 0.7002 0 1
14609 B 112.25600 39.000 51.083 1.0000 0.0000 2.56410E-02 0.6992 0 1
14610 B 112.26299 42.000 51.088 1.0000 0.0000 2.38095E-02 0.7002 0 1
14611 B 112.27000 58.000 51.093 1.0000 0.0000 1.72414E-02 0.7002 0 1
14612 B 112.27699 51.000 51.098 1.0000 0.0000 1.96078E-02 0.7002 0 1
14613 B 112.28400 53.000 51.103 1.0000 0.0000 1.88679E-02 0.7002 0 1
14614 B 112.29101 53.000 51.108 1.0000 0.0000 1.88679E-02 0.6992 0 1
14615 B 112.29799 53.000 51.113 1.0000 0.0000 1.88679E-02 0.7002 0 1
14616 B 112.30500 49.000 51.117 1.0000 0.0000 2.04082E-02 0.7002 0 1
14617 B 112.31199 54.000 51.122 1.0000 0.0000 1.85185E-02 0.7002 0 1
14618 B 112.31900 50.000 51.127 1.0000 0.0000 2.00000E-02 0.7002 0 1
14619 B 112.32600 51.000 51.132 1.0000 0.0000 1.96078E-02 0.6992 0 1
14620 B 112.33298 44.000 51.137 1.0000 0.0000 2.27273E-02 0.7002 0 1
14621 B 112.34000 50.000 51.142 1.0000 0.0000 2.00000E-02 0.7002 0 1
14622 B 112.34699 42.000 51.147 1.0000 0.0000 2.38095E-02 0.7002 0 1
14623 B 112.35400 40.000 51.152 1.0000 0.0000 2.50000E-02 0.7002 0 1
14624 B 112.36101 51.000 51.157 1.0000 0.0000 1.96078E-02 0.6992 0 1
14625 B 112.36799 46.000 51.161 1.0000 0.0000 2.17391E-02 0.7002 0 1
14626 B 112.37500 46.000 51.166 1.0000 0.0000 2.17391E-02 0.7002 0 1
14627 B 112.38199 41.000 51.171 1.0000 0.0000 2.43902E-02 0.7002 0 1
14628 B 112.38901 43.000 51.176 1.0000 0.0000 2.32558E-02 0.7002 0 1
14629 B 112.39600 52.000 51.181 1.0000 0.0000 1.92308E-02 0.6992 0 1
14630 B 112.40298 45.000 51.186 1.0000 0.0000 2.22222E-02 0.7002 0 1
14631 B 112.41000 44.000 51.191 1.0000 0.0000 2.27273E-02 0.7002 0 1
14632 B 112.41699 46.000 51.196 1.0000 0.0000 2.17391E-02 0.7002 0 1
14633 B 112.42400 49.000 51.201 1.0000 0.0000 2.04082E-02 0.7002 0 1
14634 B 112.43101 44.000 51.206 1.0000 0.0000 2.27273E-02 0.6992 0 1
14635 B 112.43799 45.000 51.211 1.0000 0.0000 2.22222E-02 0.7002 0 1
14636 B 112.44500 41.000 51.216 1.0000 0.0000 2.43902E-02 0.7002 0 1
14637 B 112.45200 53.000 51.221 1.0000 0.0000 1.88679E-02 0.7002 0 1
14638 B 112.45901 43.000 51.226 1.0000 0.0000 2.32558E-02 0.7002 0 1
14639 B 112.46600 46.000 51.231 1.0000 0.0000 2.17391E-02 0.6992 0 1
14640 B 112.47299 49.000 51.235 1.0000 0.0000 2.04082E-02 0.7002 0 1
14641 B 112.48000 52.000 51.240 1.0000 0.0000 1.92308E-02 0.7002 0 1
14642 B 112.48699 44.000 51.245 1.0000 0.0000 2.27273E-02 0.7002 0 1
14643 B 112.49400 53.000 51.250 1.0000 0.0000 1.88679E-02 0.7002 0 1
14644 B 112.50101 46.000 51.255 1.0000 0.0000 2.17391E-02 0.6992 0 1
14645 B 112.50799 39.000 51.260 1.0000 0.0000 2.56410E-02 0.7002 0 1
14646 B 112.51500 49.000 51.265 1.0000 0.0000 2.04082E-02 0.7002 0 1
14647 B 112.52200 51.000 51.270 1.0000 0.0000 1.96078E-02 0.7002 0 1
14648 B 112.52901 37.000 51.275 1.0000 0.0000 2.70270E-02 0.7002 0 1
14649 B 112.53600 42.000 51.280 1.0000 0.0000 2.38095E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 259
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14650 B 112.54299 41.000 51.285 1.0000 0.0000 2.43902E-02 0.7002 0 1
14651 B 112.55000 51.000 51.290 1.0000 0.0000 1.96078E-02 0.7002 0 1
14652 B 112.55699 48.000 51.295 1.0000 0.0000 2.08333E-02 0.7002 0 1
14653 B 112.56400 48.000 51.300 1.0000 0.0000 2.08333E-02 0.7002 0 1
14654 B 112.57101 54.000 51.305 1.0000 0.0000 1.85185E-02 0.6992 0 1
14655 B 112.57799 48.000 51.310 1.0000 0.0000 2.08333E-02 0.7002 0 1
14656 B 112.58500 48.000 51.315 1.0000 0.0000 2.08333E-02 0.7002 0 1
14657 B 112.59200 51.000 51.320 1.0000 0.0000 1.96078E-02 0.7002 0 1
14658 B 112.59901 46.000 51.325 1.0000 0.0000 2.17391E-02 0.7002 0 1
14659 B 112.60600 45.000 51.330 1.0000 0.0000 2.22222E-02 0.6992 0 1
14660 B 112.61299 52.000 51.335 1.0000 0.0000 1.92308E-02 0.7002 0 1
14661 B 112.62000 56.000 51.340 1.0000 0.0000 1.78571E-02 0.7002 0 1
14662 B 112.62699 48.000 51.345 1.0000 0.0000 2.08333E-02 0.7002 0 1
14663 B 112.63400 51.000 51.350 1.0000 0.0000 1.96078E-02 0.7002 0 1
14664 B 112.64101 50.000 51.355 1.0000 0.0000 2.00000E-02 0.6992 0 1
14665 B 112.64799 49.000 51.360 1.0000 0.0000 2.04082E-02 0.7002 0 1
14666 B 112.65500 49.000 51.365 1.0000 0.0000 2.04082E-02 0.7002 0 1
14667 B 112.66199 53.000 51.370 1.0000 0.0000 1.88679E-02 0.7002 0 1
14668 B 112.66901 50.000 51.375 1.0000 0.0000 2.00000E-02 0.7002 0 1
14669 B 112.67600 56.000 51.380 1.0000 0.0000 1.78571E-02 0.6992 0 1
14670 B 112.68299 52.000 51.386 1.0000 0.0000 1.92308E-02 0.7002 0 1
14671 B 112.69000 50.000 51.391 1.0000 0.0000 2.00000E-02 0.7002 0 1
14672 B 112.69699 45.000 51.396 1.0000 0.0000 2.22222E-02 0.7002 0 1
14673 B 112.70400 43.000 51.401 1.0000 0.0000 2.32558E-02 0.7002 0 1
14674 B 112.71101 53.000 51.406 1.0000 0.0000 1.88679E-02 0.6992 0 1
14675 B 112.71799 48.000 51.411 1.0000 0.0000 2.08333E-02 0.7002 0 1
14676 B 112.72500 44.000 51.416 1.0000 0.0000 2.27273E-02 0.7002 0 1
14677 B 112.73199 48.000 51.421 1.0000 0.0000 2.08333E-02 0.7002 0 1
14678 B 112.73901 47.000 51.426 1.0000 0.0000 2.12766E-02 0.7002 0 1
14679 B 112.74600 53.000 51.431 1.0000 0.0000 1.88679E-02 0.6992 0 1
14680 B 112.75299 43.000 51.436 1.0000 0.0000 2.32558E-02 0.7002 0 1
14681 B 112.76000 44.000 51.441 1.0000 0.0000 2.27273E-02 0.7002 0 1
14682 B 112.76699 40.000 51.446 1.0000 0.0000 2.50000E-02 0.7002 0 1
14683 B 112.77400 61.000 51.451 1.0000 0.0000 1.63934E-02 0.7002 0 1
14684 B 112.78101 54.000 51.457 1.0000 0.0000 1.85185E-02 0.6992 0 1
14685 B 112.78799 58.000 51.462 1.0000 0.0000 1.72414E-02 0.7002 0 1
14686 B 112.79500 48.000 51.467 1.0000 0.0000 2.08333E-02 0.7002 0 1
14687 B 112.80199 42.000 51.472 1.0000 0.0000 2.38095E-02 0.7002 0 1
14688 B 112.80901 58.000 51.477 1.0000 0.0000 1.72414E-02 0.7002 0 1
14689 B 112.81601 43.000 51.482 1.0000 0.0000 2.32558E-02 0.6992 0 1
14690 B 112.82299 54.000 51.487 1.0000 0.0000 1.85185E-02 0.7002 0 1
14691 B 112.83000 48.000 51.492 1.0000 0.0000 2.08333E-02 0.7002 0 1
14692 B 112.83699 43.000 51.497 1.0000 0.0000 2.32558E-02 0.7002 0 1
14693 B 112.84400 43.000 51.502 1.0000 0.0000 2.32558E-02 0.7002 0 1
14694 B 112.85101 51.000 51.508 1.0000 0.0000 1.96078E-02 0.6992 0 1
14695 B 112.85799 52.000 51.513 1.0000 0.0000 1.92308E-02 0.7002 0 1
14696 B 112.86500 45.000 51.518 1.0000 0.0000 2.22222E-02 0.7002 0 1
14697 B 112.87199 46.000 51.523 1.0000 0.0000 2.17391E-02 0.7002 0 1
14698 B 112.87901 48.000 51.528 1.0000 0.0000 2.08333E-02 0.7002 0 1
14699 B 112.88601 65.000 51.533 1.0000 0.0000 1.53846E-02 0.6992 0 1
14700 B 112.89299 41.000 51.538 1.0000 0.0000 2.43902E-02 0.7002 0 1
14701 B 112.90000 56.000 51.544 1.0000 0.0000 1.78571E-02 0.7002 0 1
14702 B 112.90699 46.000 51.549 1.0000 0.0000 2.17391E-02 0.7002 0 1
14703 B 112.91400 62.000 51.554 1.0000 0.0000 1.61290E-02 0.7002 0 1
14704 B 112.92101 51.000 51.559 1.0000 0.0000 1.96078E-02 0.6992 0 1
14705 B 112.92799 55.000 51.564 1.0000 0.0000 1.81818E-02 0.7002 0 1
14706 B 112.93500 50.000 51.569 1.0000 0.0000 2.00000E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 260
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14707 B 112.94199 47.000 51.574 1.0000 0.0000 2.12766E-02 0.7002 0 1
14708 B 112.94901 52.000 51.580 1.0000 0.0000 1.92308E-02 0.7002 0 1
14709 B 112.95601 52.000 51.585 1.0000 0.0000 1.92308E-02 0.6992 0 1
14710 B 112.96299 56.000 51.590 1.0000 0.0000 1.78571E-02 0.7002 0 1
14711 B 112.97000 55.000 51.595 1.0000 0.0000 1.81818E-02 0.7002 0 1
14712 B 112.97699 55.000 51.600 1.0000 0.0000 1.81818E-02 0.7002 0 1
14713 B 112.98400 52.000 51.605 1.0000 0.0000 1.92308E-02 0.7002 0 1
14714 B 112.99100 48.000 51.611 1.0000 0.0000 2.08333E-02 0.6992 0 1
14715 B 112.99799 37.000 51.616 1.0000 0.0000 2.70270E-02 0.7002 0 1
14716 B 113.00500 57.000 51.621 1.0000 0.0000 1.75439E-02 0.7002 0 1
14717 B 113.01199 55.000 51.626 1.0000 0.0000 1.81818E-02 0.7002 0 1
14718 B 113.01900 52.000 51.631 1.0000 0.0000 1.92308E-02 0.7002 0 1
14719 B 113.02601 47.000 51.637 1.0000 0.0000 2.12766E-02 0.6992 0 1
14720 . 113.03299 43.000 51.811 1.0000 0.0000 2.32558E-02 0.7002 83 1
14721 . 113.04000 41.000 51.826 1.0000 0.0000 2.43902E-02 0.7002 83 1
14722 . 113.04699 47.000 51.842 1.0000 0.0000 2.12766E-02 0.7002 83 1
14723 . 113.05400 47.000 51.858 1.0000 0.0000 2.12766E-02 0.7002 83 1
14724 . 113.06100 47.000 51.876 1.0000 0.0000 2.12766E-02 0.6992 83 1
14725 . 113.06799 47.000 51.894 1.0000 0.0000 2.12766E-02 0.7002 83 1
14726 . 113.07500 45.000 51.914 1.0000 0.0000 2.22222E-02 0.7002 83 1
14727 . 113.08199 41.000 51.936 1.0000 0.0000 2.43902E-02 0.7002 83 1
14728 . 113.08900 48.000 51.959 1.0000 0.0000 2.08333E-02 0.7002 83 1
14729 . 113.09601 46.000 51.984 1.0000 0.0000 2.17391E-02 0.6992 83 1
14730 . 113.10299 55.000 52.011 1.0000 0.0000 1.81818E-02 0.7002 83 1
14731 . 113.11000 47.000 52.041 1.0000 0.0000 2.12766E-02 0.7002 83 1
14732 . 113.11699 58.000 52.074 1.0000 0.0000 1.72414E-02 0.7002 83 1
14733 . 113.12400 41.000 52.110 1.0000 0.0000 2.43902E-02 0.7002 83 1
14734 . 113.13100 49.000 52.150 1.0000 0.0000 2.04082E-02 0.6992 83 1
14735 . 113.13799 51.000 52.195 1.0000 0.0000 1.96078E-02 0.7002 83 1
14736 . 113.14500 50.000 52.246 1.0000 0.0000 2.00000E-02 0.7002 83 1
14737 . 113.15199 49.000 52.305 1.0000 0.0000 2.04082E-02 0.7002 83 1
14738 . 113.15900 41.000 52.375 1.0000 0.0000 2.43902E-02 0.7002 83 1
14739 . 113.16601 49.000 52.460 1.0000 0.0000 2.04082E-02 0.6992 83 1
14740 . 113.17299 52.000 52.648 1.0000 0.0000 1.92308E-02 0.7002 83 2
14741 . 113.18000 53.000 52.791 1.0000 0.0000 1.88679E-02 0.7002 83 2
14742 . 113.18699 53.000 52.982 1.0000 0.0000 1.88679E-02 0.7002 83 2
14743 . 113.19400 51.000 53.244 1.0000 0.0000 1.96078E-02 0.7002 83 2
14744 . 113.20100 52.000 53.606 1.0000 0.0000 1.92308E-02 0.6992 83 2
14745 . 113.20798 47.000 54.103 1.0000 0.0000 2.12766E-02 0.7002 83 2
14746 . 113.21500 47.000 54.781 1.0000 0.0000 2.12766E-02 0.7002 83 2
14747 . 113.22199 57.000 55.678 1.0000 0.0000 1.75439E-02 0.7002 83 2
14748 . 113.22900 44.000 56.835 1.0000 0.0000 2.27273E-02 0.7002 83 2
14749 . 113.23601 44.000 58.265 1.0000 0.0000 2.27273E-02 0.6992 83 2
14750 . 113.24299 61.000 59.955 1.0000 0.0000 1.63934E-02 0.7002 83 2
14751 . 113.25000 61.000 61.872 1.0000 0.0000 1.63934E-02 0.7002 83 2
14752 . 113.25699 53.000 63.907 1.0000 0.0000 1.88679E-02 0.7002 83 2
14753 . 113.26401 56.000 65.918 1.0000 0.0000 1.78571E-02 0.7002 83 2
14754 . 113.27100 60.000 67.681 1.0000 0.0000 1.66667E-02 0.6992 83 2
14755 . 113.27798 55.000 68.936 1.0000 0.0000 1.81818E-02 0.7002 83 2
14756 .1 113.28500 50.000 69.454 1.0000 0.0000 2.00000E-02 0.7002 83 2
14757 . 113.29199 45.000 69.121 1.0000 0.0000 2.22222E-02 0.7002 83 2
14758 . 113.29900 50.000 68.018 1.0000 0.0000 2.00000E-02 0.7002 83 2
14759 . 113.30601 52.000 66.376 1.0000 0.0000 1.92308E-02 0.6992 83 2
14760 . 113.31299 42.000 64.464 1.0000 0.0000 2.38095E-02 0.7002 83 2
14761 . 113.32000 51.000 62.497 1.0000 0.0000 1.96078E-02 0.7002 83 2
14762 . 113.32700 37.000 60.658 1.0000 0.0000 2.70270E-02 0.7002 83 2
14763 . 113.33401 47.000 59.087 1.0000 0.0000 2.12766E-02 0.7002 83 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 261
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14764 . 113.34100 49.000 57.783 1.0000 0.0000 2.04082E-02 0.6992 83 3
14765 . 113.34799 44.000 56.812 1.0000 0.0000 2.27273E-02 0.7002 83 3
14766 . 113.35500 60.000 56.175 1.0000 0.0000 1.66667E-02 0.7002 83 3
14767 . 113.36199 51.000 55.864 1.0000 0.0000 1.96078E-02 0.7002 83 3
14768 . 113.36900 55.000 55.856 1.0000 0.0000 1.81818E-02 0.7002 83 3
14769 . 113.37601 51.000 56.123 1.0000 0.0000 1.96078E-02 0.6992 83 3
14770 . 113.38299 42.000 56.630 1.0000 0.0000 2.38095E-02 0.7002 83 3
14771 . 113.39000 48.000 57.337 1.0000 0.0000 2.08333E-02 0.7002 83 3
14772 . 113.39700 57.000 58.184 1.0000 0.0000 1.75439E-02 0.7002 83 3
14773 . 113.40401 47.000 59.100 1.0000 0.0000 2.12766E-02 0.7002 83 3
14774 . 113.41100 53.000 59.980 1.0000 0.0000 1.88679E-02 0.6992 83 3
14775 . 113.41799 41.000 60.697 1.0000 0.0000 2.43902E-02 0.7002 83 3
14776 .1 113.42500 66.000 61.122 1.0000 0.0000 1.51515E-02 0.7002 83 3
14777 . 113.43199 57.000 61.149 1.0000 0.0000 1.75439E-02 0.7002 83 3
14778 . 113.43900 37.000 60.763 1.0000 0.0000 2.70270E-02 0.7002 83 3
14779 . 113.44601 58.000 60.039 1.0000 0.0000 1.72414E-02 0.6992 83 3
14780 . 113.45299 55.000 59.106 1.0000 0.0000 1.81818E-02 0.7002 83 3
14781 . 113.46000 60.000 58.081 1.0000 0.0000 1.66667E-02 0.7002 83 3
14782 . 113.46700 53.000 57.070 1.0000 0.0000 1.88679E-02 0.7002 83 3
14783 . 113.47401 43.000 56.135 1.0000 0.0000 2.32558E-02 0.7002 83 3
14784 . 113.48100 49.000 55.341 1.0000 0.0000 2.04082E-02 0.6992 83 4
14785 . 113.48799 50.000 54.666 1.0000 0.0000 2.00000E-02 0.7002 83 4
14786 . 113.49500 49.000 54.126 1.0000 0.0000 2.04082E-02 0.7002 83 4
14787 . 113.50199 45.000 53.714 1.0000 0.0000 2.22222E-02 0.7002 83 4
14788 . 113.50900 49.000 53.406 1.0000 0.0000 2.04082E-02 0.7002 83 4
14789 . 113.51601 57.000 53.185 1.0000 0.0000 1.75439E-02 0.6992 83 4
14790 . 113.52299 57.000 53.029 1.0000 0.0000 1.75439E-02 0.7002 83 4
14791 . 113.53000 51.000 52.921 1.0000 0.0000 1.96078E-02 0.7002 83 4
14792 . 113.53699 43.000 52.675 1.0000 0.0000 2.32558E-02 0.7002 84 3
14793 . 113.54401 62.000 52.633 1.0000 0.0000 1.61290E-02 0.7002 84 3
14794 . 113.55100 61.000 52.607 1.0000 0.0000 1.63934E-02 0.6992 84 3
14795 . 113.55799 52.000 52.593 1.0000 0.0000 1.92308E-02 0.7002 84 3
14796 . 113.56500 50.000 52.587 1.0000 0.0000 2.00000E-02 0.7002 84 3
14797 . 113.57199 47.000 52.590 1.0000 0.0000 2.12766E-02 0.7002 84 3
14798 . 113.57900 55.000 52.600 1.0000 0.0000 1.81818E-02 0.7002 84 3
14799 . 113.58601 58.000 52.618 1.0000 0.0000 1.72414E-02 0.6992 84 3
14800 . 113.59299 55.000 52.644 1.0000 0.0000 1.81818E-02 0.7002 84 3
14801 . 113.60000 57.000 52.682 1.0000 0.0000 1.75439E-02 0.7002 84 3
14802 . 113.60699 52.000 52.734 1.0000 0.0000 1.92308E-02 0.7002 84 3
14803 . 113.61401 41.000 52.809 1.0000 0.0000 2.43902E-02 0.7002 84 3
14804 . 113.62100 45.000 52.914 1.0000 0.0000 2.22222E-02 0.6992 84 3
14805 . 113.62799 52.000 53.062 1.0000 0.0000 1.92308E-02 0.7002 84 3
14806 . 113.63500 50.000 53.271 1.0000 0.0000 2.00000E-02 0.7002 84 3
14807 . 113.64199 50.000 53.558 1.0000 0.0000 2.00000E-02 0.7002 84 3
14808 . 113.64900 55.000 53.948 1.0000 0.0000 1.81818E-02 0.7002 84 3
14809 . 113.65601 46.000 54.457 1.0000 0.0000 2.17391E-02 0.6992 84 3
14810 . 113.66299 55.000 55.097 1.0000 0.0000 1.81818E-02 0.7002 84 3
14811 . 113.67000 50.000 55.877 1.0000 0.0000 2.00000E-02 0.7002 84 3
14812 . 113.67699 47.000 56.777 1.0000 0.0000 2.12766E-02 0.7002 84 3
14813 . 113.68401 51.000 57.685 1.0000 0.0000 1.96078E-02 0.7002 85 2
14814 . 113.69101 49.000 58.706 1.0000 0.0000 2.04082E-02 0.6992 85 2
14815 . 113.69799 51.000 59.661 1.0000 0.0000 1.96078E-02 0.7002 85 2
14816 . 113.70500 49.000 60.436 1.0000 0.0000 2.04082E-02 0.7002 85 2
14817 .1 113.71199 49.000 60.896 1.0000 0.0000 2.04082E-02 0.7002 85 2
14818 . 113.71900 48.000 60.953 1.0000 0.0000 2.08333E-02 0.7002 85 2
14819 . 113.72601 55.000 60.595 1.0000 0.0000 1.81818E-02 0.6992 85 2
14820 . 113.73299 52.000 59.907 1.0000 0.0000 1.92308E-02 0.7002 85 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 262
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14821 . 113.74000 39.000 59.010 1.0000 0.0000 2.56410E-02 0.7002 85 2
14822 . 113.74699 47.000 58.036 1.0000 0.0000 2.12766E-02 0.7002 85 2
14823 . 113.75401 64.000 57.079 1.0000 0.0000 1.56250E-02 0.7002 85 2
14824 . 113.76101 44.000 56.212 1.0000 0.0000 2.27273E-02 0.6992 85 2
14825 . 113.76799 47.000 55.480 1.0000 0.0000 2.12766E-02 0.7002 85 2
14826 . 113.77500 57.000 54.903 1.0000 0.0000 1.75439E-02 0.7002 85 2
14827 . 113.78199 50.000 54.493 1.0000 0.0000 2.00000E-02 0.7002 85 2
14828 . 113.78900 46.000 54.247 1.0000 0.0000 2.17391E-02 0.7002 85 2
14829 . 113.79601 51.000 54.156 1.0000 0.0000 1.96078E-02 0.6992 85 2
14830 . 113.80299 48.000 54.210 1.0000 0.0000 2.08333E-02 0.7002 85 2
14831 . 113.81000 51.000 54.393 1.0000 0.0000 1.96078E-02 0.7002 85 2
14832 . 113.81699 57.000 54.687 1.0000 0.0000 1.75439E-02 0.7002 85 2
14833 . 113.82401 49.000 55.070 1.0000 0.0000 2.04082E-02 0.7002 85 2
14834 . 113.83101 50.000 55.511 1.0000 0.0000 2.00000E-02 0.6992 85 2
14835 . 113.83799 54.000 55.968 1.0000 0.0000 1.85185E-02 0.7002 85 2
14836 . 113.84500 46.000 56.391 1.0000 0.0000 2.17391E-02 0.7002 85 2
14837 . 113.85199 55.000 56.710 1.0000 0.0000 1.81818E-02 0.7002 85 2
14838 .1 113.85900 56.000 56.864 1.0000 0.0000 1.78571E-02 0.7002 85 2
14839 . 113.86600 64.000 56.812 1.0000 0.0000 1.56250E-02 0.6992 85 2
14840 . 113.87299 60.000 56.565 1.0000 0.0000 1.66667E-02 0.7002 85 2
14841 . 113.88000 52.000 56.166 1.0000 0.0000 1.92308E-02 0.7002 85 2
14842 . 113.88699 51.000 55.682 1.0000 0.0000 1.96078E-02 0.7002 85 2
14843 . 113.89400 51.000 55.170 1.0000 0.0000 1.96078E-02 0.7002 85 2
14844 . 113.90101 52.000 54.675 1.0000 0.0000 1.92308E-02 0.6992 85 2
14845 . 113.90799 57.000 54.228 1.0000 0.0000 1.75439E-02 0.7002 85 2
14846 . 113.91500 64.000 53.841 1.0000 0.0000 1.56250E-02 0.7002 85 2
14847 . 113.92199 64.000 53.523 1.0000 0.0000 1.56250E-02 0.7002 85 2
14848 . 113.92900 52.000 53.272 1.0000 0.0000 1.92308E-02 0.7002 85 2
14849 . 113.93600 53.000 53.080 1.0000 0.0000 1.88679E-02 0.6992 85 2
14850 . 113.94299 64.000 52.938 1.0000 0.0000 1.56250E-02 0.7002 85 2
14851 . 113.95000 59.000 52.835 1.0000 0.0000 1.69492E-02 0.7002 85 2
14852 . 113.95699 56.000 52.762 1.0000 0.0000 1.78571E-02 0.7002 85 2
14853 . 113.96400 61.000 52.710 1.0000 0.0000 1.63934E-02 0.7002 85 2
14854 . 113.97101 65.000 52.672 1.0000 0.0000 1.53846E-02 0.6992 85 2
14855 . 113.97799 55.000 52.644 1.0000 0.0000 1.81818E-02 0.7002 85 2
14856 . 113.98500 44.000 52.624 1.0000 0.0000 2.27273E-02 0.7002 85 2
14857 . 113.99199 56.000 52.608 1.0000 0.0000 1.78571E-02 0.7002 85 2
14858 . 113.99900 58.000 52.595 1.0000 0.0000 1.72414E-02 0.7002 85 2
14859 . 114.00600 54.000 52.585 1.0000 0.0000 1.85185E-02 0.6992 85 2
14860 . 114.01299 61.000 52.577 1.0000 0.0000 1.63934E-02 0.7002 85 2
14861 . 114.02000 61.000 52.571 1.0000 0.0000 1.63934E-02 0.7002 85 2
14862 . 114.02699 56.000 52.565 1.0000 0.0000 1.78571E-02 0.7002 85 2
14863 . 114.03400 55.000 52.561 1.0000 0.0000 1.81818E-02 0.7002 85 2
14864 . 114.04101 61.000 52.558 1.0000 0.0000 1.63934E-02 0.6992 85 2
14865 . 114.04799 65.000 52.556 1.0000 0.0000 1.53846E-02 0.7002 85 2
14866 . 114.05500 56.000 52.554 1.0000 0.0000 1.78571E-02 0.7002 85 2
14867 . 114.06199 58.000 52.553 1.0000 0.0000 1.72414E-02 0.7002 85 2
14868 . 114.06900 67.000 52.553 1.0000 0.0000 1.49254E-02 0.7002 85 2
14869 . 114.07600 68.000 52.553 1.0000 0.0000 1.47059E-02 0.6992 85 2
14870 . 114.08298 68.000 52.553 1.0000 0.0000 1.47059E-02 0.7002 85 2
14871 . 114.09000 52.000 52.554 1.0000 0.0000 1.92308E-02 0.7002 85 2
14872 . 114.09699 48.000 52.517 1.0000 0.0000 2.08333E-02 0.7002 86 1
14873 . 114.10400 47.000 52.520 1.0000 0.0000 2.12766E-02 0.7002 86 1
14874 . 114.11101 51.000 52.523 1.0000 0.0000 1.96078E-02 0.6992 86 1
14875 . 114.11799 51.000 52.527 1.0000 0.0000 1.96078E-02 0.7002 86 1
14876 . 114.12500 67.000 52.530 1.0000 0.0000 1.49254E-02 0.7002 86 1
14877 . 114.13199 65.000 52.534 1.0000 0.0000 1.53846E-02 0.7002 86 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 263
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14878 . 114.13901 62.000 52.538 1.0000 0.0000 1.61290E-02 0.7002 86 1
14879 . 114.14600 63.000 52.542 1.0000 0.0000 1.58730E-02 0.6992 86 1
14880 . 114.15298 59.000 52.546 1.0000 0.0000 1.69492E-02 0.7002 86 1
14881 . 114.16000 65.000 52.550 1.0000 0.0000 1.53846E-02 0.7002 86 1
14882 . 114.16699 53.000 52.554 1.0000 0.0000 1.88679E-02 0.7002 86 1
14883 . 114.17400 50.000 52.559 1.0000 0.0000 2.00000E-02 0.7002 86 1
14884 . 114.18101 76.000 52.563 1.0000 0.0000 1.31579E-02 0.6992 86 1
14885 . 114.18799 62.000 52.568 1.0000 0.0000 1.61290E-02 0.7002 86 1
14886 . 114.19500 49.000 52.573 1.0000 0.0000 2.04082E-02 0.7002 86 1
14887 . 114.20200 63.000 52.577 1.0000 0.0000 1.58730E-02 0.7002 86 1
14888 . 114.20901 57.000 52.582 1.0000 0.0000 1.75439E-02 0.7002 86 1
14889 . 114.21600 49.000 52.587 1.0000 0.0000 2.04082E-02 0.6992 86 1
14890 . 114.22299 58.000 52.592 1.0000 0.0000 1.72414E-02 0.7002 86 1
14891 . 114.23000 56.000 52.597 1.0000 0.0000 1.78571E-02 0.7002 86 1
14892 . 114.23699 62.000 52.602 1.0000 0.0000 1.61290E-02 0.7002 86 1
14893 B 114.24400 63.000 52.588 1.0000 0.0000 1.58730E-02 0.7002 0 1
14894 B 114.25101 56.000 52.594 1.0000 0.0000 1.78571E-02 0.6992 0 1
14895 B 114.25799 56.000 52.599 1.0000 0.0000 1.78571E-02 0.7002 0 1
14896 B 114.26500 62.000 52.605 1.0000 0.0000 1.61290E-02 0.7002 0 1
14897 B 114.27200 65.000 52.611 1.0000 0.0000 1.53846E-02 0.7002 0 1
14898 B 114.27901 53.000 52.617 1.0000 0.0000 1.88679E-02 0.7002 0 1
14899 B 114.28600 54.000 52.622 1.0000 0.0000 1.85185E-02 0.6992 0 1
14900 B 114.29299 56.000 52.628 1.0000 0.0000 1.78571E-02 0.7002 0 1
14901 B 114.30000 47.000 52.634 1.0000 0.0000 2.12766E-02 0.7002 0 1
14902 B 114.30699 58.000 52.640 1.0000 0.0000 1.72414E-02 0.7002 0 1
14903 B 114.31400 61.000 52.645 1.0000 0.0000 1.63934E-02 0.7002 0 1
14904 B 114.32101 53.000 52.651 1.0000 0.0000 1.88679E-02 0.6992 0 1
14905 B 114.32799 65.000 52.657 1.0000 0.0000 1.53846E-02 0.7002 0 1
14906 B 114.33500 66.000 52.663 1.0000 0.0000 1.51515E-02 0.7002 0 1
14907 B 114.34200 58.000 52.668 1.0000 0.0000 1.72414E-02 0.7002 0 1
14908 B 114.34901 61.000 52.674 1.0000 0.0000 1.63934E-02 0.7002 0 1
14909 B 114.35600 75.000 52.680 1.0000 0.0000 1.33333E-02 0.6992 0 1
14910 B 114.36299 74.000 52.686 1.0000 0.0000 1.35135E-02 0.7002 0 1
14911 B 114.37000 78.000 52.692 1.0000 0.0000 1.28205E-02 0.7002 0 1
14912 B 114.37699 63.000 52.697 1.0000 0.0000 1.58730E-02 0.7002 0 1
14913 B 114.38400 63.000 52.703 1.0000 0.0000 1.58730E-02 0.7002 0 1
14914 B 114.39101 71.000 52.709 1.0000 0.0000 1.40845E-02 0.6992 0 1
14915 B 114.39799 75.000 52.715 1.0000 0.0000 1.33333E-02 0.7002 0 1
14916 B 114.40500 65.000 52.720 1.0000 0.0000 1.53846E-02 0.7002 0 1
14917 B 114.41199 80.000 52.726 1.0000 0.0000 1.25000E-02 0.7002 0 1
14918 B 114.41901 67.000 52.732 1.0000 0.0000 1.49254E-02 0.7002 0 1
14919 B 114.42600 63.000 52.738 1.0000 0.0000 1.58730E-02 0.6992 0 1
14920 B 114.43299 71.000 52.744 1.0000 0.0000 1.40845E-02 0.7002 0 1
14921 B 114.44000 59.000 52.750 1.0000 0.0000 1.69492E-02 0.7002 0 1
14922 B 114.44699 69.000 52.755 1.0000 0.0000 1.44928E-02 0.7002 0 1
14923 B 114.45400 75.000 52.761 1.0000 0.0000 1.33333E-02 0.7002 0 1
14924 B 114.46101 74.000 52.767 1.0000 0.0000 1.35135E-02 0.6992 0 1
14925 B 114.46799 69.000 52.773 1.0000 0.0000 1.44928E-02 0.7002 0 1
14926 B 114.47500 75.000 52.779 1.0000 0.0000 1.33333E-02 0.7002 0 1
14927 B 114.48199 71.000 52.785 1.0000 0.0000 1.40845E-02 0.7002 0 1
14928 B 114.48901 72.000 52.790 1.0000 0.0000 1.38889E-02 0.7002 0 1
14929 B 114.49600 74.000 52.796 1.0000 0.0000 1.35135E-02 0.6992 0 1
14930 B 114.50299 78.000 52.802 1.0000 0.0000 1.28205E-02 0.7002 0 1
14931 B 114.51000 69.000 52.808 1.0000 0.0000 1.44928E-02 0.7002 0 1
14932 B 114.51699 75.000 52.814 1.0000 0.0000 1.33333E-02 0.7002 0 1
14933 B 114.52400 78.000 52.820 1.0000 0.0000 1.28205E-02 0.7002 0 1
14934 B 114.53101 69.000 52.825 1.0000 0.0000 1.44928E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 264
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14935 B 114.53799 85.000 52.831 1.0000 0.0000 1.17647E-02 0.7002 0 1
14936 B 114.54500 72.000 52.837 1.0000 0.0000 1.38889E-02 0.7002 0 1
14937 B 114.55199 81.000 52.843 1.0000 0.0000 1.23457E-02 0.7002 0 1
14938 B 114.55901 75.000 52.849 1.0000 0.0000 1.33333E-02 0.7002 0 1
14939 B 114.56601 58.000 52.855 1.0000 0.0000 1.72414E-02 0.6992 0 1
14940 B 114.57299 67.000 52.861 1.0000 0.0000 1.49254E-02 0.7002 0 1
14941 B 114.58000 63.000 52.867 1.0000 0.0000 1.58730E-02 0.7002 0 1
14942 B 114.58699 80.000 52.872 1.0000 0.0000 1.25000E-02 0.7002 0 1
14943 B 114.59400 67.000 52.878 1.0000 0.0000 1.49254E-02 0.7002 0 1
14944 B 114.60101 74.000 52.884 1.0000 0.0000 1.35135E-02 0.6992 0 1
14945 B 114.60799 87.000 52.890 1.0000 0.0000 1.14943E-02 0.7002 0 1
14946 B 114.61500 73.000 52.896 1.0000 0.0000 1.36986E-02 0.7002 0 1
14947 B 114.62199 64.000 52.902 1.0000 0.0000 1.56250E-02 0.7002 0 1
14948 B 114.62901 76.000 52.908 1.0000 0.0000 1.31579E-02 0.7002 0 1
14949 B 114.63601 93.000 52.914 1.0000 0.0000 1.07527E-02 0.6992 0 1
14950 B 114.64299 77.000 52.920 1.0000 0.0000 1.29870E-02 0.7002 0 1
14951 B 114.65000 76.000 52.926 1.0000 0.0000 1.31579E-02 0.7002 0 1
14952 B 114.65699 81.000 52.931 1.0000 0.0000 1.23457E-02 0.7002 0 1
14953 B 114.66400 86.000 52.937 1.0000 0.0000 1.16279E-02 0.7002 0 1
14954 B 114.67101 71.000 52.943 1.0000 0.0000 1.40845E-02 0.6992 0 1
14955 B 114.67799 67.000 52.949 1.0000 0.0000 1.49254E-02 0.7002 0 1
14956 B 114.68500 78.000 52.955 1.0000 0.0000 1.28205E-02 0.7002 0 1
14957 B 114.69199 69.000 52.961 1.0000 0.0000 1.44928E-02 0.7002 0 1
14958 B 114.69901 83.000 52.967 1.0000 0.0000 1.20482E-02 0.7002 0 1
14959 B 114.70601 93.000 52.973 1.0000 0.0000 1.07527E-02 0.6992 0 1
14960 B 114.71299 67.000 52.979 1.0000 0.0000 1.49254E-02 0.7002 0 1
14961 B 114.72000 82.000 52.985 1.0000 0.0000 1.21951E-02 0.7002 0 1
14962 B 114.72699 65.000 52.991 1.0000 0.0000 1.53846E-02 0.7002 0 1
14963 B 114.73400 82.000 52.997 1.0000 0.0000 1.21951E-02 0.7002 0 1
14964 B 114.74100 78.000 53.003 1.0000 0.0000 1.28205E-02 0.6992 0 1
14965 B 114.74799 71.000 53.009 1.0000 0.0000 1.40845E-02 0.7002 0 1
14966 B 114.75500 76.000 53.015 1.0000 0.0000 1.31579E-02 0.7002 0 1
14967 B 114.76199 84.000 53.021 1.0000 0.0000 1.19048E-02 0.7002 0 1
14968 B 114.76900 90.000 53.027 1.0000 0.0000 1.11111E-02 0.7002 0 1
14969 B 114.77601 87.000 53.032 1.0000 0.0000 1.14943E-02 0.6992 0 1
14970 B 114.78299 86.000 53.038 1.0000 0.0000 1.16279E-02 0.7002 0 1
14971 B 114.79000 81.000 53.044 1.0000 0.0000 1.23457E-02 0.7002 0 1
14972 B 114.79699 74.000 53.050 1.0000 0.0000 1.35135E-02 0.7002 0 1
14973 B 114.80400 76.000 53.056 1.0000 0.0000 1.31579E-02 0.7002 0 1
14974 B 114.81100 89.000 53.062 1.0000 0.0000 1.12360E-02 0.6992 0 1
14975 B 114.81799 79.000 53.068 1.0000 0.0000 1.26582E-02 0.7002 0 1
14976 B 114.82500 75.000 53.074 1.0000 0.0000 1.33333E-02 0.7002 0 1
14977 B 114.83199 80.000 53.080 1.0000 0.0000 1.25000E-02 0.7002 0 1
14978 B 114.83900 91.000 53.086 1.0000 0.0000 1.09890E-02 0.7002 0 1
14979 B 114.84601 90.000 53.092 1.0000 0.0000 1.11111E-02 0.6992 0 1
14980 B 114.85299 82.000 53.098 1.0000 0.0000 1.21951E-02 0.7002 0 1
14981 B 114.86000 92.000 53.104 1.0000 0.0000 1.08696E-02 0.7002 0 1
14982 B 114.86699 91.000 53.110 1.0000 0.0000 1.09890E-02 0.7002 0 1
14983 B 114.87400 98.000 53.116 1.0000 0.0000 1.02041E-02 0.7002 0 1
14984 B 114.88100 85.000 53.122 1.0000 0.0000 1.17647E-02 0.6992 0 1
14985 B 114.88799 76.000 53.128 1.0000 0.0000 1.31579E-02 0.7002 0 1
14986 B 114.89500 72.000 53.134 1.0000 0.0000 1.38889E-02 0.7002 0 1
14987 B 114.90199 89.000 53.140 1.0000 0.0000 1.12360E-02 0.7002 0 1
14988 B 114.90900 85.000 53.146 1.0000 0.0000 1.17647E-02 0.7002 0 1
14989 B 114.91601 103.00 53.152 1.0000 0.0000 9.70874E-03 0.6992 0 1
14990 B 114.92299 92.000 53.158 1.0000 0.0000 1.08696E-02 0.7002 0 1
14991 B 114.93000 95.000 53.165 1.0000 0.0000 1.05263E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 265
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
14992 B 114.93699 89.000 53.171 1.0000 0.0000 1.12360E-02 0.7002 0 1
14993 B 114.94400 80.000 53.177 1.0000 0.0000 1.25000E-02 0.7002 0 1
14994 B 114.95100 104.00 53.183 1.0000 0.0000 9.61538E-03 0.6992 0 1
14995 B 114.95798 87.000 53.189 1.0000 0.0000 1.14943E-02 0.7002 0 1
14996 B 114.96500 68.000 53.195 1.0000 0.0000 1.47059E-02 0.7002 0 1
14997 B 114.97199 91.000 53.201 1.0000 0.0000 1.09890E-02 0.7002 0 1
14998 B 114.97900 102.00 53.207 1.0000 0.0000 9.80392E-03 0.7002 0 1
14999 B 114.98601 97.000 53.213 1.0000 0.0000 1.03093E-02 0.6992 0 1
15000 B 114.99299 100.00 53.219 1.0000 0.0000 1.00000E-02 0.7002 0 1
15001 B 115.00000 114.00 53.225 1.0000 0.0000 8.77193E-03 0.7002 0 1
15002 B 115.00699 116.00 53.231 1.0000 0.0000 8.62069E-03 0.7002 0 1
15003 B 115.01401 103.00 53.237 1.0000 0.0000 9.70874E-03 0.7002 0 1
15004 B 115.02100 103.00 53.243 1.0000 0.0000 9.70874E-03 0.6992 0 1
15005 B 115.02798 100.00 53.249 1.0000 0.0000 1.00000E-02 0.7002 0 1
15006 B 115.03500 93.000 53.255 1.0000 0.0000 1.07527E-02 0.7002 0 1
15007 B 115.04199 88.000 53.261 1.0000 0.0000 1.13636E-02 0.7002 0 1
15008 B 115.04900 97.000 53.268 1.0000 0.0000 1.03093E-02 0.7002 0 1
15009 B 115.05601 101.00 53.274 1.0000 0.0000 9.90099E-03 0.6992 0 1
15010 B 115.06299 117.00 53.280 1.0000 0.0000 8.54701E-03 0.7002 0 1
15011 B 115.07000 105.00 53.286 1.0000 0.0000 9.52381E-03 0.7002 0 1
15012 B 115.07700 103.00 53.292 1.0000 0.0000 9.70874E-03 0.7002 0 1
15013 B 115.08401 109.00 53.298 1.0000 0.0000 9.17431E-03 0.7002 0 1
15014 B 115.09100 102.00 53.304 1.0000 0.0000 9.80392E-03 0.6992 0 1
15015 B 115.09799 106.00 53.310 1.0000 0.0000 9.43396E-03 0.7002 0 1
15016 B 115.10500 102.00 53.316 1.0000 0.0000 9.80392E-03 0.7002 0 1
15017 B 115.11199 98.000 53.322 1.0000 0.0000 1.02041E-02 0.7002 0 1
15018 B 115.11900 108.00 53.329 1.0000 0.0000 9.25926E-03 0.7002 0 1
15019 B 115.12601 110.00 53.335 1.0000 0.0000 9.09091E-03 0.6992 0 1
15020 B 115.13299 111.00 53.341 1.0000 0.0000 9.00901E-03 0.7002 0 1
15021 B 115.14000 105.00 53.347 1.0000 0.0000 9.52381E-03 0.7002 0 1
15022 B 115.14700 79.000 53.353 1.0000 0.0000 1.26582E-02 0.7002 0 1
15023 B 115.15401 98.000 53.359 1.0000 0.0000 1.02041E-02 0.7002 0 1
15024 B 115.16100 100.00 53.365 1.0000 0.0000 1.00000E-02 0.6992 0 1
15025 B 115.16799 101.00 53.371 1.0000 0.0000 9.90099E-03 0.7002 0 1
15026 B 115.17500 100.00 53.378 1.0000 0.0000 1.00000E-02 0.7002 0 1
15027 B 115.18199 105.00 53.384 1.0000 0.0000 9.52381E-03 0.7002 0 1
15028 B 115.18900 107.00 53.390 1.0000 0.0000 9.34579E-03 0.7002 0 1
15029 B 115.19601 106.00 53.396 1.0000 0.0000 9.43396E-03 0.6992 0 1
15030 B 115.20299 113.00 53.402 1.0000 0.0000 8.84956E-03 0.7002 0 1
15031 B 115.21000 104.00 53.408 1.0000 0.0000 9.61538E-03 0.7002 0 1
15032 B 115.21700 112.00 53.415 1.0000 0.0000 8.92857E-03 0.7002 0 1
15033 B 115.22401 105.00 53.421 1.0000 0.0000 9.52381E-03 0.7002 0 1
15034 B 115.23100 100.00 53.427 1.0000 0.0000 1.00000E-02 0.6992 0 1
15035 B 115.23799 95.000 53.433 1.0000 0.0000 1.05263E-02 0.7002 0 1
15036 B 115.24500 90.000 53.439 1.0000 0.0000 1.11111E-02 0.7002 0 1
15037 B 115.25199 103.00 53.445 1.0000 0.0000 9.70874E-03 0.7002 0 1
15038 B 115.25900 104.00 53.452 1.0000 0.0000 9.61538E-03 0.7002 0 1
15039 B 115.26601 103.00 53.458 1.0000 0.0000 9.70874E-03 0.6992 0 1
15040 B 115.27299 106.00 53.464 1.0000 0.0000 9.43396E-03 0.7002 0 1
15041 B 115.28000 103.00 53.470 1.0000 0.0000 9.70874E-03 0.7002 0 1
15042 B 115.28699 107.00 53.476 1.0000 0.0000 9.34579E-03 0.7002 0 1
15043 B 115.29401 98.000 53.483 1.0000 0.0000 1.02041E-02 0.7002 0 1
15044 B 115.30100 99.000 53.489 1.0000 0.0000 1.01010E-02 0.6992 0 1
15045 B 115.30799 102.00 53.495 1.0000 0.0000 9.80392E-03 0.7002 0 1
15046 B 115.31500 101.00 53.501 1.0000 0.0000 9.90099E-03 0.7002 0 1
15047 B 115.32199 94.000 53.507 1.0000 0.0000 1.06383E-02 0.7002 0 1
15048 B 115.32900 113.00 53.514 1.0000 0.0000 8.84956E-03 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 266
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15049 B 115.33601 105.00 53.520 1.0000 0.0000 9.52381E-03 0.6992 0 1
15050 B 115.34299 103.00 53.526 1.0000 0.0000 9.70874E-03 0.7002 0 1
15051 B 115.35000 94.000 53.532 1.0000 0.0000 1.06383E-02 0.7002 0 1
15052 B 115.35699 107.00 53.538 1.0000 0.0000 9.34579E-03 0.7002 0 1
15053 B 115.36401 98.000 53.545 1.0000 0.0000 1.02041E-02 0.7002 0 1
15054 B 115.37100 96.000 53.551 1.0000 0.0000 1.04167E-02 0.6992 0 1
15055 B 115.37799 100.00 53.557 1.0000 0.0000 1.00000E-02 0.7002 0 1
15056 B 115.38500 104.00 53.563 1.0000 0.0000 9.61538E-03 0.7002 0 1
15057 B 115.39199 105.00 53.570 1.0000 0.0000 9.52381E-03 0.7002 0 1
15058 B 115.39900 115.00 53.576 1.0000 0.0000 8.69565E-03 0.7002 0 1
15059 B 115.40601 103.00 53.582 1.0000 0.0000 9.70874E-03 0.6992 0 1
15060 B 115.41299 91.000 53.588 1.0000 0.0000 1.09890E-02 0.7002 0 1
15061 B 115.42000 87.000 53.595 1.0000 0.0000 1.14943E-02 0.7002 0 1
15062 B 115.42699 82.000 53.601 1.0000 0.0000 1.21951E-02 0.7002 0 1
15063 B 115.43401 103.00 53.607 1.0000 0.0000 9.70874E-03 0.7002 0 1
15064 B 115.44101 103.00 53.613 1.0000 0.0000 9.70874E-03 0.6992 0 1
15065 B 115.44799 91.000 53.620 1.0000 0.0000 1.09890E-02 0.7002 0 1
15066 B 115.45500 95.000 53.626 1.0000 0.0000 1.05263E-02 0.7002 0 1
15067 B 115.46199 85.000 53.632 1.0000 0.0000 1.17647E-02 0.7002 0 1
15068 B 115.46900 83.000 53.638 1.0000 0.0000 1.20482E-02 0.7002 0 1
15069 B 115.47601 101.00 53.645 1.0000 0.0000 9.90099E-03 0.6992 0 1
15070 B 115.48299 98.000 53.651 1.0000 0.0000 1.02041E-02 0.7002 0 1
15071 B 115.49000 89.000 53.657 1.0000 0.0000 1.12360E-02 0.7002 0 1
15072 B 115.49699 80.000 53.663 1.0000 0.0000 1.25000E-02 0.7002 0 1
15073 B 115.50401 91.000 53.670 1.0000 0.0000 1.09890E-02 0.7002 0 1
15074 B 115.51101 86.000 53.676 1.0000 0.0000 1.16279E-02 0.6992 0 1
15075 B 115.51799 91.000 53.682 1.0000 0.0000 1.09890E-02 0.7002 0 1
15076 B 115.52500 97.000 53.689 1.0000 0.0000 1.03093E-02 0.7002 0 1
15077 B 115.53199 96.000 53.695 1.0000 0.0000 1.04167E-02 0.7002 0 1
15078 B 115.53900 87.000 53.701 1.0000 0.0000 1.14943E-02 0.7002 0 1
15079 B 115.54601 91.000 53.708 1.0000 0.0000 1.09890E-02 0.6992 0 1
15080 B 115.55299 88.000 53.714 1.0000 0.0000 1.13636E-02 0.7002 0 1
15081 B 115.56000 81.000 53.720 1.0000 0.0000 1.23457E-02 0.7002 0 1
15082 B 115.56699 98.000 53.726 1.0000 0.0000 1.02041E-02 0.7002 0 1
15083 B 115.57401 82.000 53.733 1.0000 0.0000 1.21951E-02 0.7002 0 1
15084 . 115.58101 88.000 54.006 1.0000 0.0000 1.13636E-02 0.6992 87 1
15085 . 115.58799 87.000 54.022 1.0000 0.0000 1.14943E-02 0.7002 87 1
15086 . 115.59500 97.000 54.039 1.0000 0.0000 1.03093E-02 0.7002 87 1
15087 . 115.60199 84.000 54.057 1.0000 0.0000 1.19048E-02 0.7002 87 1
15088 . 115.60900 87.000 54.075 1.0000 0.0000 1.14943E-02 0.7002 87 1
15089 . 115.61600 77.000 54.094 1.0000 0.0000 1.29870E-02 0.6992 87 1
15090 . 115.62299 74.000 54.114 1.0000 0.0000 1.35135E-02 0.7002 87 1
15091 . 115.63000 83.000 54.134 1.0000 0.0000 1.20482E-02 0.7002 87 1
15092 . 115.63699 77.000 54.156 1.0000 0.0000 1.29870E-02 0.7002 87 1
15093 . 115.64400 78.000 54.179 1.0000 0.0000 1.28205E-02 0.7002 87 1
15094 . 115.65101 79.000 54.202 1.0000 0.0000 1.26582E-02 0.6992 87 1
15095 . 115.65799 76.000 54.227 1.0000 0.0000 1.31579E-02 0.7002 87 1
15096 . 115.66500 80.000 54.253 1.0000 0.0000 1.25000E-02 0.7002 87 1
15097 . 115.67199 90.000 54.281 1.0000 0.0000 1.11111E-02 0.7002 87 1
15098 . 115.67900 80.000 54.310 1.0000 0.0000 1.25000E-02 0.7002 87 1
15099 . 115.68600 79.000 54.341 1.0000 0.0000 1.26582E-02 0.6992 87 1
15100 . 115.69299 76.000 54.374 1.0000 0.0000 1.31579E-02 0.7002 87 1
15101 . 115.70000 85.000 54.409 1.0000 0.0000 1.17647E-02 0.7002 87 1
15102 . 115.70699 74.000 54.446 1.0000 0.0000 1.35135E-02 0.7002 87 1
15103 . 115.71400 86.000 54.486 1.0000 0.0000 1.16279E-02 0.7002 87 1
15104 . 115.72101 80.000 54.528 1.0000 0.0000 1.25000E-02 0.6992 87 1
15105 . 115.72799 91.000 54.574 1.0000 0.0000 1.09890E-02 0.7002 87 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 267
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15106 . 115.73500 95.000 54.624 1.0000 0.0000 1.05263E-02 0.7002 87 1
15107 . 115.74199 88.000 54.678 1.0000 0.0000 1.13636E-02 0.7002 87 1
15108 . 115.74900 87.000 54.736 1.0000 0.0000 1.14943E-02 0.7002 87 1
15109 . 115.75600 78.000 54.799 1.0000 0.0000 1.28205E-02 0.6992 87 1
15110 . 115.76299 75.000 54.869 1.0000 0.0000 1.33333E-02 0.7002 87 1
15111 . 115.77000 82.000 54.945 1.0000 0.0000 1.21951E-02 0.7002 87 1
15112 . 115.77699 78.000 55.028 1.0000 0.0000 1.28205E-02 0.7002 87 1
15113 . 115.78400 87.000 55.121 1.0000 0.0000 1.14943E-02 0.7002 87 1
15114 . 115.79101 95.000 55.224 1.0000 0.0000 1.05263E-02 0.6992 87 1
15115 . 115.79799 74.000 55.339 1.0000 0.0000 1.35135E-02 0.7002 87 1
15116 . 115.80500 79.000 55.469 1.0000 0.0000 1.26582E-02 0.7002 87 1
15117 . 115.81199 90.000 55.617 1.0000 0.0000 1.11111E-02 0.7002 87 1
15118 . 115.81900 94.000 55.788 1.0000 0.0000 1.06383E-02 0.7002 87 1
15119 . 115.82600 68.000 55.988 1.0000 0.0000 1.47059E-02 0.6992 87 1
15120 . 115.83298 74.000 56.229 1.0000 0.0000 1.35135E-02 0.7002 87 1
15121 . 115.84000 76.000 56.530 1.0000 0.0000 1.31579E-02 0.7002 87 1
15122 . 115.84699 79.000 56.915 1.0000 0.0000 1.26582E-02 0.7002 87 1
15123 . 115.85400 84.000 57.427 1.0000 0.0000 1.19048E-02 0.7002 87 1
15124 . 115.86101 83.000 58.121 1.0000 0.0000 1.20482E-02 0.6992 87 1
15125 . 115.86799 88.000 59.072 1.0000 0.0000 1.13636E-02 0.7002 87 1
15126 . 115.87500 83.000 60.388 1.0000 0.0000 1.20482E-02 0.7002 87 1
15127 . 115.88199 69.000 62.175 1.0000 0.0000 1.44928E-02 0.7002 87 1
15128 . 115.88901 71.000 64.572 1.0000 0.0000 1.40845E-02 0.7002 87 1
15129 . 115.89600 80.000 67.685 1.0000 0.0000 1.25000E-02 0.6992 87 1
15130 . 115.90298 64.000 71.592 1.0000 0.0000 1.56250E-02 0.7002 87 1
15131 . 115.91000 68.000 76.346 1.0000 0.0000 1.47059E-02 0.7002 87 1
15132 . 115.91699 71.000 81.853 1.0000 0.0000 1.40845E-02 0.7002 87 1
15133 . 115.92400 74.000 87.959 1.0000 0.0000 1.35135E-02 0.7002 87 1
15134 . 115.93101 78.000 94.310 1.0000 0.0000 1.28205E-02 0.6992 87 1
15135 . 115.93799 87.000 100.39 1.0000 0.0000 1.14943E-02 0.7002 87 1
15136 . 115.94500 75.000 105.57 1.0000 0.0000 1.33333E-02 0.7002 87 1
15137 .1 115.95200 69.000 109.02 1.0000 0.0000 1.44928E-02 0.7002 87 1
15138 . 115.95901 81.000 110.10 1.0000 0.0000 1.23457E-02 0.7002 87 1
15139 . 115.96600 82.000 108.58 1.0000 0.0000 1.21951E-02 0.6992 87 1
15140 . 115.97299 77.000 104.80 1.0000 0.0000 1.29870E-02 0.7002 87 1
15141 . 115.98000 80.000 99.424 1.0000 0.0000 1.25000E-02 0.7002 87 1
15142 . 115.98699 68.000 93.482 1.0000 0.0000 1.47059E-02 0.7002 87 2
15143 . 115.99400 81.000 87.157 1.0000 0.0000 1.23457E-02 0.7002 87 2
15144 . 116.00101 65.000 81.164 1.0000 0.0000 1.53846E-02 0.6992 87 2
15145 . 116.00799 79.000 75.810 1.0000 0.0000 1.26582E-02 0.7002 87 2
15146 . 116.01500 85.000 71.221 1.0000 0.0000 1.17647E-02 0.7002 87 2
15147 . 116.02200 79.000 67.475 1.0000 0.0000 1.26582E-02 0.7002 87 2
15148 . 116.02901 84.000 64.647 1.0000 0.0000 1.19048E-02 0.7002 87 3
15149 . 116.03600 82.000 62.398 1.0000 0.0000 1.21951E-02 0.6992 87 3
15150 . 116.04299 76.000 60.735 1.0000 0.0000 1.31579E-02 0.7002 87 3
15151 . 116.05000 77.000 59.522 1.0000 0.0000 1.29870E-02 0.7002 87 3
15152 . 116.05699 79.000 58.653 1.0000 0.0000 1.26582E-02 0.7002 87 3
15153 . 116.06400 76.000 58.030 1.0000 0.0000 1.31579E-02 0.7002 87 3
15154 . 116.07101 75.000 57.580 1.0000 0.0000 1.33333E-02 0.6992 87 3
15155 . 116.07799 68.000 57.250 1.0000 0.0000 1.47059E-02 0.7002 87 3
15156 . 116.08500 85.000 57.000 1.0000 0.0000 1.17647E-02 0.7002 87 3
15157 . 116.09200 72.000 56.808 1.0000 0.0000 1.38889E-02 0.7002 87 3
15158 . 116.09901 79.000 56.656 1.0000 0.0000 1.26582E-02 0.7002 87 3
15159 . 116.10600 69.000 56.535 1.0000 0.0000 1.44928E-02 0.6992 87 3
15160 . 116.11299 76.000 56.439 1.0000 0.0000 1.31579E-02 0.7002 87 3
15161 . 116.12000 81.000 56.362 1.0000 0.0000 1.23457E-02 0.7002 87 3
15162 . 116.12699 71.000 56.302 1.0000 0.0000 1.40845E-02 0.7002 87 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 268
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15163 . 116.13400 76.000 56.258 1.0000 0.0000 1.31579E-02 0.7002 87 3
15164 . 116.14101 72.000 56.228 1.0000 0.0000 1.38889E-02 0.6992 87 3
15165 . 116.14799 77.000 56.210 1.0000 0.0000 1.29870E-02 0.7002 87 3
15166 . 116.15500 73.000 56.205 1.0000 0.0000 1.36986E-02 0.7002 87 3
15167 . 116.16199 68.000 56.211 1.0000 0.0000 1.47059E-02 0.7002 87 3
15168 . 116.16901 66.000 56.230 1.0000 0.0000 1.51515E-02 0.7002 87 3
15169 . 116.17600 72.000 56.260 1.0000 0.0000 1.38889E-02 0.6992 87 3
15170 . 116.18299 72.000 56.302 1.0000 0.0000 1.38889E-02 0.7002 87 3
15171 . 116.19000 69.000 56.357 1.0000 0.0000 1.44928E-02 0.7002 87 3
15172 . 116.19699 59.000 56.426 1.0000 0.0000 1.69492E-02 0.7002 87 3
15173 . 116.20400 70.000 56.510 1.0000 0.0000 1.42857E-02 0.7002 87 3
15174 . 116.21101 65.000 56.610 1.0000 0.0000 1.53846E-02 0.6992 87 3
15175 . 116.21799 77.000 56.729 1.0000 0.0000 1.29870E-02 0.7002 87 3
15176 . 116.22500 70.000 56.870 1.0000 0.0000 1.42857E-02 0.7002 87 3
15177 . 116.23199 57.000 57.039 1.0000 0.0000 1.75439E-02 0.7002 87 3
15178 . 116.23901 79.000 57.242 1.0000 0.0000 1.26582E-02 0.7002 87 3
15179 . 116.24600 69.000 57.492 1.0000 0.0000 1.44928E-02 0.6992 87 3
15180 . 116.25299 71.000 57.805 1.0000 0.0000 1.40845E-02 0.7002 87 3
15181 . 116.26000 58.000 58.211 1.0000 0.0000 1.72414E-02 0.7002 87 3
15182 . 116.26699 61.000 58.747 1.0000 0.0000 1.63934E-02 0.7002 87 3
15183 . 116.27400 62.000 59.472 1.0000 0.0000 1.61290E-02 0.7002 87 3
15184 . 116.28101 77.000 60.460 1.0000 0.0000 1.29870E-02 0.6992 87 3
15185 . 116.28799 80.000 61.800 1.0000 0.0000 1.25000E-02 0.7002 87 3
15186 . 116.29500 67.000 63.617 1.0000 0.0000 1.49254E-02 0.7002 87 3
15187 . 116.30199 65.000 66.018 1.0000 0.0000 1.53846E-02 0.7002 87 3
15188 . 116.30901 71.000 69.133 1.0000 0.0000 1.40845E-02 0.7002 87 3
15189 . 116.31601 70.000 73.040 1.0000 0.0000 1.42857E-02 0.6992 87 3
15190 . 116.32299 74.000 77.772 1.0000 0.0000 1.35135E-02 0.7002 87 3
15191 . 116.33000 62.000 83.336 1.0000 0.0000 1.61290E-02 0.7002 87 3
15192 . 116.33699 65.000 89.302 1.0000 0.0000 1.53846E-02 0.7002 88 2
15193 . 116.34400 79.000 95.990 1.0000 0.0000 1.26582E-02 0.7002 88 2
15194 . 116.35101 90.000 102.68 1.0000 0.0000 1.11111E-02 0.6992 88 2
15195 . 116.35799 80.000 108.80 1.0000 0.0000 1.25000E-02 0.7002 88 2
15196 .1 116.36500 82.000 113.74 1.0000 0.0000 1.21951E-02 0.7002 88 2
15197 . 116.37199 85.000 116.93 1.0000 0.0000 1.17647E-02 0.7002 88 2
15198 . 116.37901 76.000 118.20 1.0000 0.0000 1.31579E-02 0.7002 88 2
15199 . 116.38601 76.000 117.73 1.0000 0.0000 1.31579E-02 0.6992 88 2
15200 . 116.39299 83.000 115.90 1.0000 0.0000 1.20482E-02 0.7002 88 2
15201 . 116.40000 72.000 112.97 1.0000 0.0000 1.38889E-02 0.7002 88 2
15202 .1 116.40699 73.000 109.10 1.0000 0.0000 1.36986E-02 0.7002 88 2
15203 . 116.41400 70.000 104.33 1.0000 0.0000 1.42857E-02 0.7002 88 2
15204 . 116.42101 72.000 98.866 1.0000 0.0000 1.38889E-02 0.6992 88 2
15205 . 116.42799 82.000 93.035 1.0000 0.0000 1.21951E-02 0.7002 88 2
15206 . 116.43500 79.000 87.182 1.0000 0.0000 1.26582E-02 0.7002 88 2
15207 . 116.44199 82.000 81.681 1.0000 0.0000 1.21951E-02 0.7002 88 2
15208 . 116.44901 86.000 76.836 1.0000 0.0000 1.16279E-02 0.7002 88 3
15209 . 116.45601 78.000 72.552 1.0000 0.0000 1.28205E-02 0.6992 88 3
15210 . 116.46299 80.000 68.974 1.0000 0.0000 1.25000E-02 0.7002 88 3
15211 . 116.47000 92.000 66.049 1.0000 0.0000 1.08696E-02 0.7002 88 3
15212 . 116.47699 68.000 63.739 1.0000 0.0000 1.47059E-02 0.7002 88 4
15213 . 116.48400 64.000 61.945 1.0000 0.0000 1.56250E-02 0.7002 88 4
15214 . 116.49100 82.000 60.585 1.0000 0.0000 1.21951E-02 0.6992 88 4
15215 . 116.49799 87.000 59.568 1.0000 0.0000 1.14943E-02 0.7002 88 4
15216 . 116.50500 67.000 58.807 1.0000 0.0000 1.49254E-02 0.7002 88 4
15217 . 116.51199 66.000 58.241 1.0000 0.0000 1.51515E-02 0.7002 88 4
15218 . 116.51900 73.000 57.812 1.0000 0.0000 1.36986E-02 0.7002 88 4
15219 . 116.52601 80.000 57.482 1.0000 0.0000 1.25000E-02 0.6992 88 4
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 269
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15220 . 116.53299 70.000 57.223 1.0000 0.0000 1.42857E-02 0.7002 88 4
15221 . 116.54000 77.000 57.013 1.0000 0.0000 1.29870E-02 0.7002 88 4
15222 . 116.54699 93.000 56.840 1.0000 0.0000 1.07527E-02 0.7002 88 4
15223 . 116.55400 86.000 56.694 1.0000 0.0000 1.16279E-02 0.7002 88 4
15224 . 116.56100 84.000 56.570 1.0000 0.0000 1.19048E-02 0.6992 88 4
15225 . 116.56799 83.000 56.464 1.0000 0.0000 1.20482E-02 0.7002 88 4
15226 . 116.57500 82.000 56.373 1.0000 0.0000 1.21951E-02 0.7002 88 4
15227 . 116.58199 90.000 56.294 1.0000 0.0000 1.11111E-02 0.7002 88 4
15228 . 116.58900 90.000 56.227 1.0000 0.0000 1.11111E-02 0.7002 88 4
15229 . 116.59601 81.000 56.170 1.0000 0.0000 1.23457E-02 0.6992 88 4
15230 . 116.60299 88.000 56.122 1.0000 0.0000 1.13636E-02 0.7002 88 4
15231 . 116.61000 81.000 56.083 1.0000 0.0000 1.23457E-02 0.7002 88 4
15232 . 116.61699 73.000 56.051 1.0000 0.0000 1.36986E-02 0.7002 88 4
15233 . 116.62400 82.000 56.027 1.0000 0.0000 1.21951E-02 0.7002 88 4
15234 . 116.63100 81.000 56.010 1.0000 0.0000 1.23457E-02 0.6992 88 4
15235 . 116.63799 81.000 56.000 1.0000 0.0000 1.23457E-02 0.7002 88 4
15236 . 116.64500 77.000 55.997 1.0000 0.0000 1.29870E-02 0.7002 88 4
15237 . 116.65199 103.00 56.002 1.0000 0.0000 9.70874E-03 0.7002 88 4
15238 . 116.65900 83.000 56.014 1.0000 0.0000 1.20482E-02 0.7002 88 4
15239 . 116.66601 87.000 56.034 1.0000 0.0000 1.14943E-02 0.6992 88 4
15240 . 116.67299 73.000 56.063 1.0000 0.0000 1.36986E-02 0.7002 88 4
15241 . 116.68000 77.000 56.101 1.0000 0.0000 1.29870E-02 0.7002 88 4
15242 . 116.68699 82.000 56.152 1.0000 0.0000 1.21951E-02 0.7002 88 4
15243 . 116.69400 79.000 56.218 1.0000 0.0000 1.26582E-02 0.7002 88 4
15244 . 116.70100 88.000 56.304 1.0000 0.0000 1.13636E-02 0.6992 88 4
15245 . 116.70798 79.000 56.417 1.0000 0.0000 1.26582E-02 0.7002 88 4
15246 . 116.71500 75.000 56.569 1.0000 0.0000 1.33333E-02 0.7002 88 4
15247 . 116.72199 89.000 56.778 1.0000 0.0000 1.12360E-02 0.7002 88 4
15248 . 116.72900 98.000 57.068 1.0000 0.0000 1.02041E-02 0.7002 88 4
15249 . 116.73601 98.000 57.471 1.0000 0.0000 1.02041E-02 0.6992 88 4
15250 . 116.74299 90.000 58.028 1.0000 0.0000 1.11111E-02 0.7002 88 4
15251 . 116.75000 85.000 58.566 1.0000 0.0000 1.17647E-02 0.7002 89 3
15252 . 116.75699 89.000 59.593 1.0000 0.0000 1.12360E-02 0.7002 89 3
15253 . 116.76401 67.000 60.927 1.0000 0.0000 1.49254E-02 0.7002 89 3
15254 . 116.77100 84.000 62.599 1.0000 0.0000 1.19048E-02 0.6992 89 3
15255 . 116.77798 91.000 64.613 1.0000 0.0000 1.09890E-02 0.7002 89 3
15256 . 116.78500 93.000 66.956 1.0000 0.0000 1.07527E-02 0.7002 89 3
15257 . 116.79199 82.000 69.403 1.0000 0.0000 1.21951E-02 0.7002 90 2
15258 . 116.79900 76.000 72.101 1.0000 0.0000 1.31579E-02 0.7002 90 2
15259 . 116.80601 73.000 74.691 1.0000 0.0000 1.36986E-02 0.6992 90 2
15260 . 116.81299 78.000 76.889 1.0000 0.0000 1.28205E-02 0.7002 90 2
15261 .1 116.82000 76.000 78.386 1.0000 0.0000 1.31579E-02 0.7002 90 2
15262 . 116.82700 80.000 78.892 1.0000 0.0000 1.25000E-02 0.7002 90 2
15263 . 116.83401 92.000 78.307 1.0000 0.0000 1.08696E-02 0.7002 90 2
15264 . 116.84100 85.000 76.753 1.0000 0.0000 1.17647E-02 0.6992 90 2
15265 .1 116.84799 74.000 74.523 1.0000 0.0000 1.35135E-02 0.7002 90 2
15266 . 116.85500 95.000 71.924 1.0000 0.0000 1.05263E-02 0.7002 90 2
15267 . 116.86199 81.000 69.249 1.0000 0.0000 1.23457E-02 0.7002 90 2
15268 . 116.86900 86.000 66.687 1.0000 0.0000 1.16279E-02 0.7002 90 2
15269 . 116.87601 91.000 64.381 1.0000 0.0000 1.09890E-02 0.6992 90 2
15270 . 116.88299 87.000 62.404 1.0000 0.0000 1.14943E-02 0.7002 90 2
15271 . 116.89000 101.00 60.768 1.0000 0.0000 9.90099E-03 0.7002 90 2
15272 . 116.89700 80.000 59.472 1.0000 0.0000 1.25000E-02 0.7002 90 2
15273 . 116.90401 77.000 58.473 1.0000 0.0000 1.29870E-02 0.7002 90 2
15274 . 116.91100 92.000 57.727 1.0000 0.0000 1.08696E-02 0.6992 90 2
15275 . 116.91799 88.000 57.182 1.0000 0.0000 1.13636E-02 0.7002 90 2
15276 . 116.92500 88.000 56.785 1.0000 0.0000 1.13636E-02 0.7002 90 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 270
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15277 . 116.93199 82.000 56.499 1.0000 0.0000 1.21951E-02 0.7002 90 2
15278 . 116.93900 87.000 56.290 1.0000 0.0000 1.14943E-02 0.7002 90 3
15279 . 116.94601 88.000 56.134 1.0000 0.0000 1.13636E-02 0.6992 90 3
15280 . 116.95299 83.000 56.015 1.0000 0.0000 1.20482E-02 0.7002 90 3
15281 . 116.96000 100.00 55.921 1.0000 0.0000 1.00000E-02 0.7002 90 3
15282 . 116.96700 79.000 55.844 1.0000 0.0000 1.26582E-02 0.7002 90 3
15283 . 116.97401 101.00 55.780 1.0000 0.0000 9.90099E-03 0.7002 90 3
15284 . 116.98100 82.000 55.726 1.0000 0.0000 1.21951E-02 0.6992 90 3
15285 . 116.98799 95.000 55.680 1.0000 0.0000 1.05263E-02 0.7002 90 3
15286 . 116.99500 96.000 55.640 1.0000 0.0000 1.04167E-02 0.7002 90 3
15287 . 117.00199 96.000 55.606 1.0000 0.0000 1.04167E-02 0.7002 90 3
15288 . 117.00900 90.000 55.575 1.0000 0.0000 1.11111E-02 0.7002 90 3
15289 . 117.01601 83.000 55.549 1.0000 0.0000 1.20482E-02 0.6992 90 3
15290 . 117.02299 80.000 55.526 1.0000 0.0000 1.25000E-02 0.7002 90 3
15291 . 117.03000 76.000 55.505 1.0000 0.0000 1.31579E-02 0.7002 90 3
15292 . 117.03699 79.000 55.488 1.0000 0.0000 1.26582E-02 0.7002 90 3
15293 . 117.04401 78.000 55.472 1.0000 0.0000 1.28205E-02 0.7002 90 3
15294 . 117.05100 92.000 55.459 1.0000 0.0000 1.08696E-02 0.6992 90 3
15295 . 117.05799 84.000 55.447 1.0000 0.0000 1.19048E-02 0.7002 90 3
15296 . 117.06500 104.00 55.437 1.0000 0.0000 9.61538E-03 0.7002 90 3
15297 . 117.07199 90.000 55.428 1.0000 0.0000 1.11111E-02 0.7002 90 3
15298 . 117.07900 97.000 55.420 1.0000 0.0000 1.03093E-02 0.7002 90 3
15299 . 117.08601 81.000 55.414 1.0000 0.0000 1.23457E-02 0.6992 90 3
15300 . 117.09299 94.000 55.409 1.0000 0.0000 1.06383E-02 0.7002 90 3
15301 . 117.10000 95.000 55.404 1.0000 0.0000 1.05263E-02 0.7002 90 3
15302 . 117.10699 88.000 55.400 1.0000 0.0000 1.13636E-02 0.7002 90 3
15303 . 117.11401 81.000 55.397 1.0000 0.0000 1.23457E-02 0.7002 90 3
15304 . 117.12100 89.000 55.395 1.0000 0.0000 1.12360E-02 0.6992 90 3
15305 . 117.12799 101.00 55.394 1.0000 0.0000 9.90099E-03 0.7002 90 3
15306 . 117.13500 96.000 55.393 1.0000 0.0000 1.04167E-02 0.7002 90 3
15307 . 117.14199 96.000 55.392 1.0000 0.0000 1.04167E-02 0.7002 90 3
15308 . 117.14900 100.00 55.392 1.0000 0.0000 1.00000E-02 0.7002 90 3
15309 . 117.15601 93.000 55.392 1.0000 0.0000 1.07527E-02 0.6992 90 3
15310 . 117.16299 100.00 55.393 1.0000 0.0000 1.00000E-02 0.7002 90 3
15311 . 117.17000 105.00 55.394 1.0000 0.0000 9.52381E-03 0.7002 90 3
15312 . 117.17699 104.00 55.396 1.0000 0.0000 9.61538E-03 0.7002 90 3
15313 . 117.18401 101.00 55.398 1.0000 0.0000 9.90099E-03 0.7002 90 3
15314 . 117.19101 98.000 55.400 1.0000 0.0000 1.02041E-02 0.6992 90 3
15315 . 117.19799 81.000 55.402 1.0000 0.0000 1.23457E-02 0.7002 90 3
15316 . 117.20500 110.00 55.288 1.0000 0.0000 9.09091E-03 0.7002 91 2
15317 . 117.21199 100.00 55.296 1.0000 0.0000 1.00000E-02 0.7002 91 2
15318 . 117.21900 98.000 55.303 1.0000 0.0000 1.02041E-02 0.7002 91 2
15319 . 117.22601 95.000 55.310 1.0000 0.0000 1.05263E-02 0.6992 91 2
15320 . 117.23299 85.000 55.317 1.0000 0.0000 1.17647E-02 0.7002 92 1
15321 . 117.24000 86.000 55.324 1.0000 0.0000 1.16279E-02 0.7002 92 1
15322 . 117.24699 89.000 55.331 1.0000 0.0000 1.12360E-02 0.7002 92 1
15323 . 117.25401 84.000 55.338 1.0000 0.0000 1.19048E-02 0.7002 92 1
15324 . 117.26101 81.000 55.345 1.0000 0.0000 1.23457E-02 0.6992 92 1
15325 . 117.26799 85.000 55.352 1.0000 0.0000 1.17647E-02 0.7002 92 1
15326 . 117.27500 95.000 55.359 1.0000 0.0000 1.05263E-02 0.7002 92 1
15327 . 117.28199 91.000 55.366 1.0000 0.0000 1.09890E-02 0.7002 92 1
15328 . 117.28900 92.000 55.373 1.0000 0.0000 1.08696E-02 0.7002 92 1
15329 . 117.29601 106.00 55.380 1.0000 0.0000 9.43396E-03 0.6992 92 1
15330 . 117.30299 91.000 55.387 1.0000 0.0000 1.09890E-02 0.7002 92 1
15331 .1 117.31000 89.000 55.394 1.0000 0.0000 1.12360E-02 0.7002 92 1
15332 . 117.31699 87.000 55.401 1.0000 0.0000 1.14943E-02 0.7002 92 1
15333 . 117.32401 86.000 55.409 1.0000 0.0000 1.16279E-02 0.7002 92 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 271
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15334 . 117.33101 85.000 55.416 1.0000 0.0000 1.17647E-02 0.6992 92 1
15335 . 117.33799 90.000 55.423 1.0000 0.0000 1.11111E-02 0.7002 92 1
15336 . 117.34500 100.00 55.430 1.0000 0.0000 1.00000E-02 0.7002 92 1
15337 . 117.35199 85.000 55.437 1.0000 0.0000 1.17647E-02 0.7002 92 1
15338 . 117.35900 87.000 55.444 1.0000 0.0000 1.14943E-02 0.7002 92 1
15339 . 117.36600 91.000 55.451 1.0000 0.0000 1.09890E-02 0.6992 92 1
15340 . 117.37299 85.000 55.458 1.0000 0.0000 1.17647E-02 0.7002 92 1
15341 . 117.38000 75.000 55.465 1.0000 0.0000 1.33333E-02 0.7002 92 1
15342 . 117.38699 80.000 55.472 1.0000 0.0000 1.25000E-02 0.7002 92 1
15343 . 117.39400 75.000 55.480 1.0000 0.0000 1.33333E-02 0.7002 92 1
15344 . 117.40101 86.000 55.487 1.0000 0.0000 1.16279E-02 0.6992 92 1
15345 . 117.40799 101.00 55.494 1.0000 0.0000 9.90099E-03 0.7002 92 1
15346 . 117.41500 83.000 55.501 1.0000 0.0000 1.20482E-02 0.7002 92 1
15347 . 117.42199 81.000 55.508 1.0000 0.0000 1.23457E-02 0.7002 92 1
15348 . 117.42900 93.000 55.515 1.0000 0.0000 1.07527E-02 0.7002 92 1
15349 . 117.43600 92.000 55.522 1.0000 0.0000 1.08696E-02 0.6992 92 1
15350 . 117.44299 97.000 55.529 1.0000 0.0000 1.03093E-02 0.7002 92 1
15351 . 117.45000 91.000 55.537 1.0000 0.0000 1.09890E-02 0.7002 92 1
15352 . 117.45699 77.000 55.544 1.0000 0.0000 1.29870E-02 0.7002 92 1
15353 . 117.46400 77.000 55.551 1.0000 0.0000 1.29870E-02 0.7002 92 1
15354 . 117.47101 89.000 55.558 1.0000 0.0000 1.12360E-02 0.6992 92 1
15355 . 117.47799 90.000 55.565 1.0000 0.0000 1.11111E-02 0.7002 92 1
15356 . 117.48500 75.000 55.572 1.0000 0.0000 1.33333E-02 0.7002 92 1
15357 . 117.49199 85.000 55.580 1.0000 0.0000 1.17647E-02 0.7002 92 1
15358 . 117.49900 83.000 55.587 1.0000 0.0000 1.20482E-02 0.7002 92 1
15359 . 117.50600 94.000 55.594 1.0000 0.0000 1.06383E-02 0.6992 92 1
15360 . 117.51299 86.000 55.601 1.0000 0.0000 1.16279E-02 0.7002 92 1
15361 . 117.52000 76.000 55.608 1.0000 0.0000 1.31579E-02 0.7002 92 1
15362 . 117.52699 77.000 55.615 1.0000 0.0000 1.29870E-02 0.7002 92 1
15363 . 117.53400 81.000 55.623 1.0000 0.0000 1.23457E-02 0.7002 92 1
15364 . 117.54101 83.000 55.630 1.0000 0.0000 1.20482E-02 0.6992 92 1
15365 . 117.54799 87.000 55.637 1.0000 0.0000 1.14943E-02 0.7002 92 1
15366 . 117.55500 77.000 55.644 1.0000 0.0000 1.29870E-02 0.7002 92 1
15367 . 117.56199 83.000 55.651 1.0000 0.0000 1.20482E-02 0.7002 92 1
15368 . 117.56900 82.000 55.658 1.0000 0.0000 1.21951E-02 0.7002 92 1
15369 . 117.57600 91.000 55.666 1.0000 0.0000 1.09890E-02 0.6992 92 1
15370 . 117.58298 89.000 55.673 1.0000 0.0000 1.12360E-02 0.7002 92 1
15371 . 117.59000 79.000 55.680 1.0000 0.0000 1.26582E-02 0.7002 92 1
15372 . 117.59699 69.000 55.687 1.0000 0.0000 1.44928E-02 0.7002 92 1
15373 . 117.60400 75.000 55.694 1.0000 0.0000 1.33333E-02 0.7002 92 1
15374 . 117.61101 89.000 55.702 1.0000 0.0000 1.12360E-02 0.6992 92 1
15375 . 117.61799 83.000 55.709 1.0000 0.0000 1.20482E-02 0.7002 92 1
15376 . 117.62500 74.000 55.716 1.0000 0.0000 1.35135E-02 0.7002 92 1
15377 . 117.63199 61.000 55.723 1.0000 0.0000 1.63934E-02 0.7002 92 1
15378 . 117.63901 87.000 55.731 1.0000 0.0000 1.14943E-02 0.7002 92 1
15379 . 117.64600 86.000 55.738 1.0000 0.0000 1.16279E-02 0.6992 92 1
15380 . 117.65298 93.000 55.745 1.0000 0.0000 1.07527E-02 0.7002 92 1
15381 . 117.66000 84.000 55.752 1.0000 0.0000 1.19048E-02 0.7002 92 1
15382 . 117.66699 82.000 55.760 1.0000 0.0000 1.21951E-02 0.7002 92 1
15383 . 117.67400 81.000 55.767 1.0000 0.0000 1.23457E-02 0.7002 92 1
15384 . 117.68101 80.000 55.774 1.0000 0.0000 1.25000E-02 0.6992 92 1
15385 . 117.68799 73.000 55.781 1.0000 0.0000 1.36986E-02 0.7002 92 1
15386 B 117.69500 68.000 55.788 1.0000 0.0000 1.47059E-02 0.7002 0 1
15387 B 117.70200 80.000 55.796 1.0000 0.0000 1.25000E-02 0.7002 0 1
15388 B 117.70901 88.000 55.803 1.0000 0.0000 1.13636E-02 0.7002 0 1
15389 B 117.71600 69.000 55.810 1.0000 0.0000 1.44928E-02 0.6992 0 1
15390 B 117.72299 81.000 55.818 1.0000 0.0000 1.23457E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 272
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15391 B 117.73000 78.000 55.825 1.0000 0.0000 1.28205E-02 0.7002 0 1
15392 B 117.73699 71.000 55.832 1.0000 0.0000 1.40845E-02 0.7002 0 1
15393 B 117.74400 77.000 55.839 1.0000 0.0000 1.29870E-02 0.7002 0 1
15394 B 117.75101 65.000 55.847 1.0000 0.0000 1.53846E-02 0.6992 0 1
15395 B 117.75799 69.000 55.854 1.0000 0.0000 1.44928E-02 0.7002 0 1
15396 B 117.76500 78.000 55.861 1.0000 0.0000 1.28205E-02 0.7002 0 1
15397 B 117.77200 74.000 55.868 1.0000 0.0000 1.35135E-02 0.7002 0 1
15398 B 117.77901 86.000 55.876 1.0000 0.0000 1.16279E-02 0.7002 0 1
15399 B 117.78600 88.000 55.883 1.0000 0.0000 1.13636E-02 0.6992 0 1
15400 B 117.79299 84.000 55.890 1.0000 0.0000 1.19048E-02 0.7002 0 1
15401 B 117.80000 77.000 55.898 1.0000 0.0000 1.29870E-02 0.7002 0 1
15402 B 117.80699 74.000 55.905 1.0000 0.0000 1.35135E-02 0.7002 0 1
15403 B 117.81400 81.000 55.912 1.0000 0.0000 1.23457E-02 0.7002 0 1
15404 B 117.82101 78.000 55.920 1.0000 0.0000 1.28205E-02 0.6992 0 1
15405 B 117.82799 73.000 55.927 1.0000 0.0000 1.36986E-02 0.7002 0 1
15406 B 117.83500 73.000 55.934 1.0000 0.0000 1.36986E-02 0.7002 0 1
15407 B 117.84200 69.000 55.941 1.0000 0.0000 1.44928E-02 0.7002 0 1
15408 B 117.84901 76.000 55.949 1.0000 0.0000 1.31579E-02 0.7002 0 1
15409 B 117.85600 79.000 55.956 1.0000 0.0000 1.26582E-02 0.6992 0 1
15410 B 117.86299 61.000 55.963 1.0000 0.0000 1.63934E-02 0.7002 0 1
15411 B 117.87000 86.000 55.971 1.0000 0.0000 1.16279E-02 0.7002 0 1
15412 B 117.87699 79.000 55.978 1.0000 0.0000 1.26582E-02 0.7002 0 1
15413 B 117.88400 76.000 55.985 1.0000 0.0000 1.31579E-02 0.7002 0 1
15414 B 117.89101 74.000 55.993 1.0000 0.0000 1.35135E-02 0.6992 0 1
15415 B 117.89799 72.000 56.000 1.0000 0.0000 1.38889E-02 0.7002 0 1
15416 B 117.90500 74.000 56.007 1.0000 0.0000 1.35135E-02 0.7002 0 1
15417 B 117.91199 68.000 56.015 1.0000 0.0000 1.47059E-02 0.7002 0 1
15418 B 117.91901 70.000 56.022 1.0000 0.0000 1.42857E-02 0.7002 0 1
15419 B 117.92600 79.000 56.029 1.0000 0.0000 1.26582E-02 0.6992 0 1
15420 B 117.93299 73.000 56.037 1.0000 0.0000 1.36986E-02 0.7002 0 1
15421 . 117.94000 75.000 56.215 1.0000 0.0000 1.33333E-02 0.7002 93 1
15422 . 117.94699 97.000 56.229 1.0000 0.0000 1.03093E-02 0.7002 93 1
15423 . 117.95400 102.00 56.243 1.0000 0.0000 9.80392E-03 0.7002 93 1
15424 . 117.96101 73.000 56.258 1.0000 0.0000 1.36986E-02 0.6992 93 1
15425 . 117.96799 75.000 56.273 1.0000 0.0000 1.33333E-02 0.7002 93 1
15426 . 117.97500 78.000 56.288 1.0000 0.0000 1.28205E-02 0.7002 93 1
15427 . 117.98199 80.000 56.304 1.0000 0.0000 1.25000E-02 0.7002 93 1
15428 . 117.98901 75.000 56.320 1.0000 0.0000 1.33333E-02 0.7002 93 1
15429 . 117.99600 69.000 56.338 1.0000 0.0000 1.44928E-02 0.6992 93 1
15430 . 118.00299 67.000 56.355 1.0000 0.0000 1.49254E-02 0.7002 93 1
15431 . 118.01000 64.000 56.374 1.0000 0.0000 1.56250E-02 0.7002 93 1
15432 . 118.01699 76.000 56.393 1.0000 0.0000 1.31579E-02 0.7002 93 1
15433 . 118.02400 65.000 56.413 1.0000 0.0000 1.53846E-02 0.7002 93 1
15434 . 118.03101 64.000 56.433 1.0000 0.0000 1.56250E-02 0.6992 93 1
15435 . 118.03799 61.000 56.455 1.0000 0.0000 1.63934E-02 0.7002 93 1
15436 . 118.04500 68.000 56.478 1.0000 0.0000 1.47059E-02 0.7002 93 1
15437 . 118.05199 79.000 56.502 1.0000 0.0000 1.26582E-02 0.7002 93 1
15438 . 118.05901 71.000 56.528 1.0000 0.0000 1.40845E-02 0.7002 93 1
15439 . 118.06601 73.000 56.555 1.0000 0.0000 1.36986E-02 0.6992 93 1
15440 . 118.07299 71.000 56.583 1.0000 0.0000 1.40845E-02 0.7002 93 1
15441 . 118.08000 75.000 56.614 1.0000 0.0000 1.33333E-02 0.7002 93 1
15442 . 118.08699 67.000 56.646 1.0000 0.0000 1.49254E-02 0.7002 93 1
15443 . 118.09400 78.000 56.680 1.0000 0.0000 1.28205E-02 0.7002 93 1
15444 . 118.10101 75.000 56.718 1.0000 0.0000 1.33333E-02 0.6992 93 1
15445 . 118.10799 65.000 56.757 1.0000 0.0000 1.53846E-02 0.7002 93 1
15446 . 118.11500 76.000 56.801 1.0000 0.0000 1.31579E-02 0.7002 93 1
15447 . 118.12199 92.000 56.848 1.0000 0.0000 1.08696E-02 0.7002 93 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 273
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15448 . 118.12901 62.000 56.899 1.0000 0.0000 1.61290E-02 0.7002 93 1
15449 . 118.13601 81.000 56.954 1.0000 0.0000 1.23457E-02 0.6992 93 1
15450 . 118.14299 83.000 57.015 1.0000 0.0000 1.20482E-02 0.7002 93 1
15451 . 118.15000 75.000 57.083 1.0000 0.0000 1.33333E-02 0.7002 93 1
15452 . 118.15699 54.000 57.158 1.0000 0.0000 1.85185E-02 0.7002 93 1
15453 . 118.16400 76.000 57.242 1.0000 0.0000 1.31579E-02 0.7002 93 1
15454 . 118.17101 82.000 57.338 1.0000 0.0000 1.21951E-02 0.6992 93 1
15455 . 118.17799 69.000 57.447 1.0000 0.0000 1.44928E-02 0.7002 93 1
15456 . 118.18500 64.000 57.574 1.0000 0.0000 1.56250E-02 0.7002 93 1
15457 . 118.19199 78.000 57.728 1.0000 0.0000 1.28205E-02 0.7002 93 1
15458 . 118.19901 74.000 57.917 1.0000 0.0000 1.35135E-02 0.7002 93 1
15459 . 118.20601 68.000 58.159 1.0000 0.0000 1.47059E-02 0.6992 93 1
15460 . 118.21299 76.000 58.474 1.0000 0.0000 1.31579E-02 0.7002 93 1
15461 . 118.22000 71.000 58.900 1.0000 0.0000 1.40845E-02 0.7002 93 1
15462 . 118.22699 63.000 59.476 1.0000 0.0000 1.58730E-02 0.7002 93 1
15463 . 118.23400 60.000 60.263 1.0000 0.0000 1.66667E-02 0.7002 93 1
15464 . 118.24100 67.000 61.322 1.0000 0.0000 1.49254E-02 0.6992 93 1
15465 . 118.24799 73.000 62.719 1.0000 0.0000 1.36986E-02 0.7002 93 1
15466 . 118.25500 72.000 64.532 1.0000 0.0000 1.38889E-02 0.7002 93 1
15467 . 118.26199 73.000 66.798 1.0000 0.0000 1.36986E-02 0.7002 93 1
15468 . 118.26900 72.000 69.546 1.0000 0.0000 1.38889E-02 0.7002 93 1
15469 . 118.27601 73.000 72.738 1.0000 0.0000 1.36986E-02 0.6992 93 1
15470 . 118.28299 65.000 76.277 1.0000 0.0000 1.53846E-02 0.7002 93 1
15471 . 118.29000 76.000 80.020 1.0000 0.0000 1.31579E-02 0.7002 93 1
15472 . 118.29699 67.000 83.682 1.0000 0.0000 1.49254E-02 0.7002 93 1
15473 . 118.30400 67.000 86.922 1.0000 0.0000 1.49254E-02 0.7002 93 1
15474 . 118.31100 73.000 89.296 1.0000 0.0000 1.36986E-02 0.6992 93 1
15475 .1 118.31799 70.000 90.401 1.0000 0.0000 1.42857E-02 0.7002 93 1
15476 . 118.32500 72.000 90.024 1.0000 0.0000 1.38889E-02 0.7002 93 1
15477 . 118.33199 63.000 88.243 1.0000 0.0000 1.58730E-02 0.7002 93 1
15478 . 118.33900 69.000 85.383 1.0000 0.0000 1.44928E-02 0.7002 93 1
15479 . 118.34601 68.000 81.890 1.0000 0.0000 1.47059E-02 0.6992 93 1
15480 . 118.35299 65.000 78.174 1.0000 0.0000 1.53846E-02 0.7002 93 1
15481 . 118.36000 61.000 74.516 1.0000 0.0000 1.63934E-02 0.7002 93 1
15482 . 118.36699 64.000 71.154 1.0000 0.0000 1.56250E-02 0.7002 93 1
15483 . 118.37400 77.000 68.195 1.0000 0.0000 1.29870E-02 0.7002 93 1
15484 . 118.38100 66.000 65.709 1.0000 0.0000 1.51515E-02 0.6992 93 1
15485 . 118.38799 80.000 63.700 1.0000 0.0000 1.25000E-02 0.7002 93 1
15486 . 118.39500 84.000 62.148 1.0000 0.0000 1.19048E-02 0.7002 93 2
15487 . 118.40199 68.000 60.949 1.0000 0.0000 1.47059E-02 0.7002 93 2
15488 . 118.40900 67.000 60.053 1.0000 0.0000 1.49254E-02 0.7002 93 2
15489 . 118.41601 66.000 59.486 1.0000 0.0000 1.51515E-02 0.6992 93 3
15490 . 118.42299 76.000 59.014 1.0000 0.0000 1.31579E-02 0.7002 93 3
15491 . 118.43000 84.000 58.668 1.0000 0.0000 1.19048E-02 0.7002 93 3
15492 . 118.43699 87.000 58.414 1.0000 0.0000 1.14943E-02 0.7002 93 3
15493 . 118.44400 78.000 58.222 1.0000 0.0000 1.28205E-02 0.7002 93 3
15494 . 118.45100 65.000 58.074 1.0000 0.0000 1.53846E-02 0.6992 93 3
15495 . 118.45798 61.000 57.956 1.0000 0.0000 1.63934E-02 0.7002 93 3
15496 . 118.46500 87.000 57.860 1.0000 0.0000 1.14943E-02 0.7002 93 3
15497 . 118.47199 74.000 57.781 1.0000 0.0000 1.35135E-02 0.7002 93 3
15498 . 118.47900 72.000 57.714 1.0000 0.0000 1.38889E-02 0.7002 93 3
15499 . 118.48601 74.000 57.657 1.0000 0.0000 1.35135E-02 0.6992 93 3
15500 . 118.49299 82.000 57.610 1.0000 0.0000 1.21951E-02 0.7002 93 3
15501 . 118.50000 73.000 57.570 1.0000 0.0000 1.36986E-02 0.7002 93 3
15502 . 118.50699 64.000 57.537 1.0000 0.0000 1.56250E-02 0.7002 93 3
15503 . 118.51401 73.000 57.509 1.0000 0.0000 1.36986E-02 0.7002 93 3
15504 . 118.52100 57.000 57.486 1.0000 0.0000 1.75439E-02 0.6992 93 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 274
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15505 . 118.52798 68.000 57.469 1.0000 0.0000 1.47059E-02 0.7002 93 3
15506 . 118.53500 71.000 57.456 1.0000 0.0000 1.40845E-02 0.7002 93 3
15507 . 118.54199 65.000 57.447 1.0000 0.0000 1.53846E-02 0.7002 93 3
15508 . 118.54900 67.000 57.442 1.0000 0.0000 1.49254E-02 0.7002 93 3
15509 . 118.55601 69.000 57.440 1.0000 0.0000 1.44928E-02 0.6992 93 3
15510 . 118.56299 67.000 57.443 1.0000 0.0000 1.49254E-02 0.7002 93 3
15511 . 118.57000 70.000 57.448 1.0000 0.0000 1.42857E-02 0.7002 93 3
15512 . 118.57700 61.000 57.458 1.0000 0.0000 1.63934E-02 0.7002 93 3
15513 . 118.58401 71.000 57.471 1.0000 0.0000 1.40845E-02 0.7002 93 3
15514 . 118.59100 79.000 57.489 1.0000 0.0000 1.26582E-02 0.6992 93 3
15515 . 118.59799 67.000 57.510 1.0000 0.0000 1.49254E-02 0.7002 93 3
15516 . 118.60500 62.000 57.536 1.0000 0.0000 1.61290E-02 0.7002 93 3
15517 . 118.61199 68.000 57.566 1.0000 0.0000 1.47059E-02 0.7002 93 3
15518 . 118.61900 66.000 57.603 1.0000 0.0000 1.51515E-02 0.7002 93 3
15519 . 118.62601 71.000 57.645 1.0000 0.0000 1.40845E-02 0.6992 93 3
15520 . 118.63299 63.000 57.695 1.0000 0.0000 1.58730E-02 0.7002 93 3
15521 . 118.64000 53.000 57.754 1.0000 0.0000 1.88679E-02 0.7002 93 3
15522 . 118.64700 60.000 57.824 1.0000 0.0000 1.66667E-02 0.7002 93 3
15523 . 118.65401 76.000 57.910 1.0000 0.0000 1.31579E-02 0.7002 93 3
15524 . 118.66100 65.000 58.017 1.0000 0.0000 1.53846E-02 0.6992 93 3
15525 . 118.66799 67.000 58.154 1.0000 0.0000 1.49254E-02 0.7002 93 3
15526 . 118.67500 68.000 58.332 1.0000 0.0000 1.47059E-02 0.7002 93 3
15527 . 118.68199 64.000 58.568 1.0000 0.0000 1.56250E-02 0.7002 93 3
15528 . 118.68900 87.000 58.887 1.0000 0.0000 1.14943E-02 0.7002 93 3
15529 . 118.69601 65.000 59.140 1.0000 0.0000 1.53846E-02 0.6992 94 2
15530 . 118.70299 91.000 59.716 1.0000 0.0000 1.09890E-02 0.7002 94 2
15531 . 118.71000 72.000 60.475 1.0000 0.0000 1.38889E-02 0.7002 94 2
15532 . 118.71700 67.000 61.453 1.0000 0.0000 1.49254E-02 0.7002 94 2
15533 . 118.72401 73.000 62.687 1.0000 0.0000 1.36986E-02 0.7002 94 2
15534 . 118.73100 79.000 64.194 1.0000 0.0000 1.26582E-02 0.6992 94 2
15535 . 118.73799 75.000 65.972 1.0000 0.0000 1.33333E-02 0.7002 94 2
15536 . 118.74500 73.000 68.004 1.0000 0.0000 1.36986E-02 0.7002 94 2
15537 . 118.75199 77.000 70.206 1.0000 0.0000 1.29870E-02 0.7002 94 2
15538 . 118.75900 75.000 72.474 1.0000 0.0000 1.33333E-02 0.7002 94 2
15539 .1 118.76601 63.000 74.638 1.0000 0.0000 1.58730E-02 0.6992 94 2
15540 . 118.77299 72.000 76.506 1.0000 0.0000 1.38889E-02 0.7002 94 2
15541 . 118.78000 78.000 77.892 1.0000 0.0000 1.28205E-02 0.7002 94 2
15542 . 118.78699 67.000 78.608 1.0000 0.0000 1.49254E-02 0.7002 94 2
15543 .1 118.79401 65.000 78.533 1.0000 0.0000 1.53846E-02 0.7002 94 2
15544 . 118.80100 58.000 77.645 1.0000 0.0000 1.72414E-02 0.6992 94 2
15545 . 118.80799 77.000 76.069 1.0000 0.0000 1.29870E-02 0.7002 94 2
15546 . 118.81500 67.000 74.012 1.0000 0.0000 1.49254E-02 0.7002 94 2
15547 . 118.82199 53.000 71.728 1.0000 0.0000 1.88679E-02 0.7002 94 2
15548 . 118.82900 65.000 69.416 1.0000 0.0000 1.53846E-02 0.7002 94 2
15549 . 118.83601 79.000 67.235 1.0000 0.0000 1.26582E-02 0.6992 94 2
15550 . 118.84299 68.000 65.284 1.0000 0.0000 1.47059E-02 0.7002 94 2
15551 . 118.85000 72.000 63.601 1.0000 0.0000 1.38889E-02 0.7002 94 2
15552 . 118.85699 80.000 62.213 1.0000 0.0000 1.25000E-02 0.7002 94 2
15553 . 118.86401 80.000 61.099 1.0000 0.0000 1.25000E-02 0.7002 94 2
15554 . 118.87100 78.000 60.250 1.0000 0.0000 1.28205E-02 0.6992 94 3
15555 . 118.87799 74.000 59.599 1.0000 0.0000 1.35135E-02 0.7002 94 3
15556 . 118.88500 72.000 59.112 1.0000 0.0000 1.38889E-02 0.7002 94 3
15557 . 118.89199 53.000 58.757 1.0000 0.0000 1.88679E-02 0.7002 94 3
15558 . 118.89900 63.000 58.496 1.0000 0.0000 1.58730E-02 0.7002 94 3
15559 . 118.90601 85.000 58.304 1.0000 0.0000 1.17647E-02 0.6992 94 3
15560 . 118.91299 65.000 58.161 1.0000 0.0000 1.53846E-02 0.7002 94 3
15561 . 118.92000 77.000 58.051 1.0000 0.0000 1.29870E-02 0.7002 94 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 275
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15562 . 118.92699 73.000 57.964 1.0000 0.0000 1.36986E-02 0.7002 94 3
15563 . 118.93401 76.000 57.895 1.0000 0.0000 1.31579E-02 0.7002 94 3
15564 . 118.94101 73.000 57.837 1.0000 0.0000 1.36986E-02 0.6992 94 3
15565 . 118.94799 84.000 57.789 1.0000 0.0000 1.19048E-02 0.7002 94 3
15566 . 118.95500 74.000 57.748 1.0000 0.0000 1.35135E-02 0.7002 94 3
15567 . 118.96199 61.000 57.713 1.0000 0.0000 1.63934E-02 0.7002 94 3
15568 . 118.96900 66.000 57.683 1.0000 0.0000 1.51515E-02 0.7002 94 3
15569 . 118.97601 73.000 57.657 1.0000 0.0000 1.36986E-02 0.6992 94 3
15570 . 118.98299 62.000 57.635 1.0000 0.0000 1.61290E-02 0.7002 94 3
15571 . 118.99000 66.000 57.616 1.0000 0.0000 1.51515E-02 0.7002 94 3
15572 . 118.99699 61.000 57.600 1.0000 0.0000 1.63934E-02 0.7002 94 3
15573 . 119.00401 67.000 57.586 1.0000 0.0000 1.49254E-02 0.7002 94 3
15574 . 119.01101 60.000 57.574 1.0000 0.0000 1.66667E-02 0.6992 94 3
15575 . 119.01799 80.000 57.565 1.0000 0.0000 1.25000E-02 0.7002 94 3
15576 . 119.02500 68.000 57.557 1.0000 0.0000 1.47059E-02 0.7002 94 3
15577 . 119.03199 60.000 57.551 1.0000 0.0000 1.66667E-02 0.7002 94 3
15578 . 119.03900 64.000 57.547 1.0000 0.0000 1.56250E-02 0.7002 94 3
15579 . 119.04601 61.000 57.544 1.0000 0.0000 1.63934E-02 0.6992 94 3
15580 . 119.05299 60.000 57.542 1.0000 0.0000 1.66667E-02 0.7002 94 3
15581 . 119.06000 62.000 57.542 1.0000 0.0000 1.61290E-02 0.7002 94 3
15582 . 119.06699 67.000 57.543 1.0000 0.0000 1.49254E-02 0.7002 94 3
15583 . 119.07401 69.000 57.545 1.0000 0.0000 1.44928E-02 0.7002 94 3
15584 . 119.08101 66.000 57.549 1.0000 0.0000 1.51515E-02 0.6992 94 3
15585 . 119.08799 69.000 57.554 1.0000 0.0000 1.44928E-02 0.7002 94 3
15586 . 119.09500 67.000 57.560 1.0000 0.0000 1.49254E-02 0.7002 94 3
15587 . 119.10199 62.000 57.568 1.0000 0.0000 1.61290E-02 0.7002 94 3
15588 . 119.10900 71.000 57.577 1.0000 0.0000 1.40845E-02 0.7002 94 3
15589 . 119.11600 69.000 57.588 1.0000 0.0000 1.44928E-02 0.6992 94 3
15590 . 119.12299 70.000 57.602 1.0000 0.0000 1.42857E-02 0.7002 94 3
15591 . 119.13000 69.000 57.620 1.0000 0.0000 1.44928E-02 0.7002 94 3
15592 . 119.13699 55.000 57.643 1.0000 0.0000 1.81818E-02 0.7002 94 3
15593 . 119.14400 64.000 57.672 1.0000 0.0000 1.56250E-02 0.7002 94 3
15594 . 119.15101 69.000 57.683 1.0000 0.0000 1.44928E-02 0.6992 95 2
15595 . 119.15799 75.000 57.736 1.0000 0.0000 1.33333E-02 0.7002 95 2
15596 . 119.16500 73.000 57.808 1.0000 0.0000 1.36986E-02 0.7002 95 2
15597 . 119.17199 80.000 57.814 1.0000 0.0000 1.25000E-02 0.7002 96 1
15598 . 119.17900 75.000 57.941 1.0000 0.0000 1.33333E-02 0.7002 96 1
15599 . 119.18600 74.000 58.102 1.0000 0.0000 1.35135E-02 0.6992 96 1
15600 . 119.19299 61.000 58.372 1.0000 0.0000 1.63934E-02 0.7002 96 2
15601 . 119.20000 57.000 58.612 1.0000 0.0000 1.75439E-02 0.7002 96 2
15602 . 119.20699 63.000 58.887 1.0000 0.0000 1.58730E-02 0.7002 96 2
15603 . 119.21400 66.000 59.191 1.0000 0.0000 1.51515E-02 0.7002 96 2
15604 . 119.22101 62.000 59.510 1.0000 0.0000 1.61290E-02 0.6992 96 2
15605 . 119.22799 70.000 59.821 1.0000 0.0000 1.42857E-02 0.7002 96 2
15606 . 119.23500 74.000 60.097 1.0000 0.0000 1.35135E-02 0.7002 96 2
15607 . 119.24199 82.000 60.301 1.0000 0.0000 1.21951E-02 0.7002 96 2
15608 .1 119.24900 75.000 60.403 1.0000 0.0000 1.33333E-02 0.7002 96 2
15609 . 119.25600 75.000 60.383 1.0000 0.0000 1.33333E-02 0.6992 96 2
15610 . 119.26299 72.000 60.250 1.0000 0.0000 1.38889E-02 0.7002 96 2
15611 . 119.27000 73.000 60.028 1.0000 0.0000 1.36986E-02 0.7002 96 2
15612 . 119.27699 74.000 59.754 1.0000 0.0000 1.35135E-02 0.7002 96 2
15613 . 119.28400 69.000 59.460 1.0000 0.0000 1.44928E-02 0.7002 96 2
15614 . 119.29101 52.000 59.172 1.0000 0.0000 1.92308E-02 0.6992 96 2
15615 . 119.29799 59.000 58.907 1.0000 0.0000 1.69492E-02 0.7002 96 2
15616 . 119.30500 71.000 58.675 1.0000 0.0000 1.40845E-02 0.7002 96 2
15617 . 119.31199 81.000 58.482 1.0000 0.0000 1.23457E-02 0.7002 96 2
15618 . 119.31900 79.000 58.327 1.0000 0.0000 1.26582E-02 0.7002 96 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 276
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15619 . 119.32600 76.000 58.210 1.0000 0.0000 1.31579E-02 0.6992 96 2
15620 . 119.33298 67.000 58.124 1.0000 0.0000 1.49254E-02 0.7002 96 2
15621 . 119.34000 83.000 58.065 1.0000 0.0000 1.20482E-02 0.7002 96 2
15622 . 119.34699 62.000 58.027 1.0000 0.0000 1.61290E-02 0.7002 96 2
15623 . 119.35400 62.000 58.005 1.0000 0.0000 1.61290E-02 0.7002 96 2
15624 . 119.36101 64.000 57.995 1.0000 0.0000 1.56250E-02 0.6992 96 2
15625 . 119.36799 59.000 57.995 1.0000 0.0000 1.69492E-02 0.7002 96 2
15626 . 119.37500 69.000 58.001 1.0000 0.0000 1.44928E-02 0.7002 96 2
15627 . 119.38199 73.000 58.013 1.0000 0.0000 1.36986E-02 0.7002 96 2
15628 . 119.38901 61.000 58.030 1.0000 0.0000 1.63934E-02 0.7002 96 2
15629 . 119.39600 60.000 58.051 1.0000 0.0000 1.66667E-02 0.6992 96 2
15630 . 119.40298 68.000 58.075 1.0000 0.0000 1.47059E-02 0.7002 96 2
15631 . 119.41000 70.000 58.104 1.0000 0.0000 1.42857E-02 0.7002 96 2
15632 . 119.41699 70.000 58.137 1.0000 0.0000 1.42857E-02 0.7002 96 2
15633 . 119.42400 60.000 58.176 1.0000 0.0000 1.66667E-02 0.7002 96 2
15634 . 119.43101 67.000 58.220 1.0000 0.0000 1.49254E-02 0.6992 96 2
15635 . 119.43799 65.000 58.273 1.0000 0.0000 1.53846E-02 0.7002 96 2
15636 . 119.44500 65.000 58.336 1.0000 0.0000 1.53846E-02 0.7002 96 2
15637 . 119.45200 67.000 58.414 1.0000 0.0000 1.49254E-02 0.7002 96 2
15638 . 119.45901 79.000 58.512 1.0000 0.0000 1.26582E-02 0.7002 96 2
15639 . 119.46600 66.000 58.640 1.0000 0.0000 1.51515E-02 0.6992 96 2
15640 . 119.47299 74.000 58.809 1.0000 0.0000 1.35135E-02 0.7002 96 2
15641 . 119.48000 69.000 59.038 1.0000 0.0000 1.44928E-02 0.7002 96 2
15642 . 119.48699 70.000 59.347 1.0000 0.0000 1.42857E-02 0.7002 96 2
15643 . 119.49400 71.000 59.761 1.0000 0.0000 1.40845E-02 0.7002 96 2
15644 . 119.50101 70.000 60.308 1.0000 0.0000 1.42857E-02 0.6992 96 2
15645 . 119.50799 69.000 61.012 1.0000 0.0000 1.44928E-02 0.7002 96 2
15646 . 119.51500 66.000 61.899 1.0000 0.0000 1.51515E-02 0.7002 96 2
15647 . 119.52200 67.000 62.974 1.0000 0.0000 1.49254E-02 0.7002 96 2
15648 . 119.52901 59.000 64.235 1.0000 0.0000 1.69492E-02 0.7002 96 2
15649 . 119.53600 74.000 65.648 1.0000 0.0000 1.35135E-02 0.6992 96 2
15650 . 119.54299 68.000 67.154 1.0000 0.0000 1.47059E-02 0.7002 96 2
15651 . 119.55000 73.000 68.670 1.0000 0.0000 1.36986E-02 0.7002 96 2
15652 . 119.55699 67.000 70.056 1.0000 0.0000 1.49254E-02 0.7002 96 2
15653 . 119.56400 73.000 71.154 1.0000 0.0000 1.36986E-02 0.7002 96 2
15654 .1 119.57101 57.000 71.791 1.0000 0.0000 1.75439E-02 0.6992 96 2
15655 . 119.57799 76.000 71.850 1.0000 0.0000 1.31579E-02 0.7002 96 2
15656 . 119.58500 76.000 71.322 1.0000 0.0000 1.31579E-02 0.7002 96 2
15657 . 119.59200 61.000 70.310 1.0000 0.0000 1.63934E-02 0.7002 96 2
15658 . 119.59901 57.000 68.973 1.0000 0.0000 1.75439E-02 0.7002 96 2
15659 . 119.60600 56.000 67.484 1.0000 0.0000 1.78571E-02 0.6992 96 2
15660 . 119.61299 66.000 65.985 1.0000 0.0000 1.51515E-02 0.7002 96 2
15661 . 119.62000 64.000 64.562 1.0000 0.0000 1.56250E-02 0.7002 96 2
15662 . 119.62699 67.000 63.274 1.0000 0.0000 1.49254E-02 0.7002 97 1
15663 . 119.63400 71.000 62.178 1.0000 0.0000 1.40845E-02 0.7002 97 1
15664 . 119.64101 60.000 61.274 1.0000 0.0000 1.66667E-02 0.6992 97 1
15665 . 119.64799 61.000 60.555 1.0000 0.0000 1.63934E-02 0.7002 97 1
15666 . 119.65500 67.000 59.995 1.0000 0.0000 1.49254E-02 0.7002 97 1
15667 . 119.66199 71.000 59.575 1.0000 0.0000 1.40845E-02 0.7002 97 1
15668 . 119.66901 69.000 59.263 1.0000 0.0000 1.44928E-02 0.7002 97 1
15669 . 119.67600 62.000 59.036 1.0000 0.0000 1.61290E-02 0.6992 97 1
15670 . 119.68299 61.000 58.908 1.0000 0.0000 1.63934E-02 0.7002 97 2
15671 . 119.69000 66.000 58.789 1.0000 0.0000 1.51515E-02 0.7002 97 2
15672 . 119.69699 69.000 58.701 1.0000 0.0000 1.44928E-02 0.7002 97 2
15673 . 119.70400 58.000 58.634 1.0000 0.0000 1.72414E-02 0.7002 97 2
15674 . 119.71101 63.000 58.583 1.0000 0.0000 1.58730E-02 0.6992 97 2
15675 . 119.71799 60.000 58.542 1.0000 0.0000 1.66667E-02 0.7002 97 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 277
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15676 . 119.72500 68.000 58.510 1.0000 0.0000 1.47059E-02 0.7002 97 2
15677 . 119.73199 65.000 58.483 1.0000 0.0000 1.53846E-02 0.7002 97 2
15678 . 119.73901 60.000 58.461 1.0000 0.0000 1.66667E-02 0.7002 97 2
15679 . 119.74600 71.000 58.443 1.0000 0.0000 1.40845E-02 0.6992 97 2
15680 . 119.75299 72.000 58.429 1.0000 0.0000 1.38889E-02 0.7002 97 2
15681 . 119.76000 52.000 58.417 1.0000 0.0000 1.92308E-02 0.7002 97 2
15682 . 119.76699 67.000 58.407 1.0000 0.0000 1.49254E-02 0.7002 97 2
15683 . 119.77400 57.000 58.400 1.0000 0.0000 1.75439E-02 0.7002 97 2
15684 . 119.78101 70.000 58.395 1.0000 0.0000 1.42857E-02 0.6992 97 2
15685 . 119.78799 81.000 58.391 1.0000 0.0000 1.23457E-02 0.7002 97 2
15686 . 119.79500 68.000 58.389 1.0000 0.0000 1.47059E-02 0.7002 97 2
15687 . 119.80199 58.000 58.389 1.0000 0.0000 1.72414E-02 0.7002 97 2
15688 . 119.80901 64.000 58.390 1.0000 0.0000 1.56250E-02 0.7002 97 2
15689 . 119.81601 71.000 58.392 1.0000 0.0000 1.40845E-02 0.6992 97 2
15690 . 119.82299 66.000 58.396 1.0000 0.0000 1.51515E-02 0.7002 97 2
15691 . 119.83000 61.000 58.401 1.0000 0.0000 1.63934E-02 0.7002 97 2
15692 . 119.83699 67.000 58.406 1.0000 0.0000 1.49254E-02 0.7002 97 2
15693 . 119.84400 76.000 58.414 1.0000 0.0000 1.31579E-02 0.7002 97 2
15694 . 119.85101 76.000 58.422 1.0000 0.0000 1.31579E-02 0.6992 97 2
15695 . 119.85799 68.000 58.431 1.0000 0.0000 1.47059E-02 0.7002 97 2
15696 . 119.86500 73.000 58.442 1.0000 0.0000 1.36986E-02 0.7002 97 2
15697 . 119.87199 66.000 58.454 1.0000 0.0000 1.51515E-02 0.7002 97 2
15698 . 119.87901 59.000 58.467 1.0000 0.0000 1.69492E-02 0.7002 97 2
15699 . 119.88601 70.000 58.482 1.0000 0.0000 1.42857E-02 0.6992 97 2
15700 . 119.89299 60.000 58.499 1.0000 0.0000 1.66667E-02 0.7002 97 2
15701 . 119.90000 70.000 58.518 1.0000 0.0000 1.42857E-02 0.7002 97 2
15702 . 119.90699 53.000 58.539 1.0000 0.0000 1.88679E-02 0.7002 97 2
15703 . 119.91400 61.000 58.562 1.0000 0.0000 1.63934E-02 0.7002 97 2
15704 . 119.92101 69.000 58.590 1.0000 0.0000 1.44928E-02 0.6992 97 2
15705 . 119.92799 69.000 58.621 1.0000 0.0000 1.44928E-02 0.7002 97 2
15706 . 119.93500 64.000 58.659 1.0000 0.0000 1.56250E-02 0.7002 97 2
15707 . 119.94199 66.000 58.705 1.0000 0.0000 1.51515E-02 0.7002 97 2
15708 . 119.94901 59.000 58.764 1.0000 0.0000 1.69492E-02 0.7002 97 2
15709 . 119.95601 61.000 58.767 1.0000 0.0000 1.63934E-02 0.6992 98 1
15710 . 119.96299 71.000 58.870 1.0000 0.0000 1.40845E-02 0.7002 98 1
15711 . 119.97000 68.000 59.008 1.0000 0.0000 1.47059E-02 0.7002 98 1
15712 . 119.97699 60.000 59.190 1.0000 0.0000 1.66667E-02 0.7002 98 1
15713 . 119.98400 62.000 59.431 1.0000 0.0000 1.61290E-02 0.7002 98 1
15714 . 119.99100 56.000 59.744 1.0000 0.0000 1.78571E-02 0.6992 98 1
15715 . 119.99799 66.000 60.139 1.0000 0.0000 1.51515E-02 0.7002 98 1
15716 . 120.00500 74.000 60.628 1.0000 0.0000 1.35135E-02 0.7002 98 1
15717 . 120.01199 62.000 61.210 1.0000 0.0000 1.61290E-02 0.7002 98 1
15718 . 120.01900 60.000 61.879 1.0000 0.0000 1.66667E-02 0.7002 98 1
15719 . 120.02601 57.000 62.612 1.0000 0.0000 1.75439E-02 0.6992 98 1
15720 . 120.03299 63.000 63.374 1.0000 0.0000 1.58730E-02 0.7002 98 1
15721 . 120.04000 71.000 64.115 1.0000 0.0000 1.40845E-02 0.7002 98 1
15722 . 120.04699 70.000 64.760 1.0000 0.0000 1.42857E-02 0.7002 98 1
15723 . 120.05400 60.000 65.227 1.0000 0.0000 1.66667E-02 0.7002 98 1
15724 .1 120.06100 68.000 65.437 1.0000 0.0000 1.47059E-02 0.6992 98 1
15725 . 120.06799 79.000 65.352 1.0000 0.0000 1.26582E-02 0.7002 98 1
15726 . 120.07500 85.000 64.990 1.0000 0.0000 1.17647E-02 0.7002 98 1
15727 . 120.08199 77.000 64.419 1.0000 0.0000 1.29870E-02 0.7002 98 1
15728 . 120.08900 74.000 63.720 1.0000 0.0000 1.35135E-02 0.7002 98 1
15729 . 120.09601 74.000 62.974 1.0000 0.0000 1.35135E-02 0.6992 98 1
15730 . 120.10299 68.000 62.243 1.0000 0.0000 1.47059E-02 0.7002 98 1
15731 . 120.11000 68.000 61.563 1.0000 0.0000 1.47059E-02 0.7002 98 1
15732 . 120.11699 67.000 60.965 1.0000 0.0000 1.49254E-02 0.7002 98 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 278
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15733 . 120.12400 56.000 60.457 1.0000 0.0000 1.78571E-02 0.7002 98 1
15734 . 120.13100 61.000 60.043 1.0000 0.0000 1.63934E-02 0.6992 98 1
15735 . 120.13799 61.000 59.718 1.0000 0.0000 1.63934E-02 0.7002 98 1
15736 . 120.14500 68.000 59.468 1.0000 0.0000 1.47059E-02 0.7002 98 1
15737 . 120.15199 73.000 59.282 1.0000 0.0000 1.36986E-02 0.7002 98 1
15738 . 120.15900 61.000 59.146 1.0000 0.0000 1.63934E-02 0.7002 98 1
15739 . 120.16601 67.000 59.048 1.0000 0.0000 1.49254E-02 0.6992 98 1
15740 . 120.17299 62.000 58.978 1.0000 0.0000 1.61290E-02 0.7002 98 1
15741 . 120.18000 67.000 58.927 1.0000 0.0000 1.49254E-02 0.7002 98 1
15742 . 120.18699 73.000 58.890 1.0000 0.0000 1.36986E-02 0.7002 98 1
15743 . 120.19400 59.000 58.863 1.0000 0.0000 1.69492E-02 0.7002 98 1
15744 . 120.20100 71.000 58.842 1.0000 0.0000 1.40845E-02 0.6992 98 1
15745 . 120.20798 68.000 58.827 1.0000 0.0000 1.47059E-02 0.7002 98 1
15746 . 120.21500 67.000 58.815 1.0000 0.0000 1.49254E-02 0.7002 98 1
15747 . 120.22199 65.000 58.805 1.0000 0.0000 1.53846E-02 0.7002 98 1
15748 . 120.22900 73.000 58.798 1.0000 0.0000 1.36986E-02 0.7002 98 1
15749 . 120.23601 73.000 58.793 1.0000 0.0000 1.36986E-02 0.6992 98 1
15750 . 120.24299 63.000 58.789 1.0000 0.0000 1.58730E-02 0.7002 98 1
15751 . 120.25000 65.000 58.786 1.0000 0.0000 1.53846E-02 0.7002 98 1
15752 . 120.25699 76.000 58.785 1.0000 0.0000 1.31579E-02 0.7002 98 1
15753 . 120.26401 66.000 58.784 1.0000 0.0000 1.51515E-02 0.7002 98 1
15754 . 120.27100 73.000 58.785 1.0000 0.0000 1.36986E-02 0.6992 98 1
15755 . 120.27798 73.000 58.786 1.0000 0.0000 1.36986E-02 0.7002 98 1
15756 . 120.28500 57.000 58.787 1.0000 0.0000 1.75439E-02 0.7002 98 1
15757 . 120.29199 59.000 58.790 1.0000 0.0000 1.69492E-02 0.7002 98 1
15758 . 120.29900 72.000 58.792 1.0000 0.0000 1.38889E-02 0.7002 98 1
15759 . 120.30601 62.000 58.796 1.0000 0.0000 1.61290E-02 0.6992 98 1
15760 . 120.31299 65.000 58.799 1.0000 0.0000 1.53846E-02 0.7002 98 1
15761 . 120.32000 76.000 58.803 1.0000 0.0000 1.31579E-02 0.7002 98 1
15762 . 120.32700 68.000 58.808 1.0000 0.0000 1.47059E-02 0.7002 98 1
15763 . 120.33401 48.000 58.812 1.0000 0.0000 2.08333E-02 0.7002 98 1
15764 . 120.34100 62.000 58.817 1.0000 0.0000 1.61290E-02 0.6992 98 1
15765 . 120.34799 75.000 58.822 1.0000 0.0000 1.33333E-02 0.7002 98 1
15766 . 120.35500 68.000 58.828 1.0000 0.0000 1.47059E-02 0.7002 98 1
15767 . 120.36199 73.000 58.833 1.0000 0.0000 1.36986E-02 0.7002 98 1
15768 . 120.36900 73.000 58.839 1.0000 0.0000 1.36986E-02 0.7002 98 1
15769 . 120.37601 69.000 58.845 1.0000 0.0000 1.44928E-02 0.6992 98 1
15770 . 120.38299 64.000 58.851 1.0000 0.0000 1.56250E-02 0.7002 98 1
15771 . 120.39000 64.000 58.858 1.0000 0.0000 1.56250E-02 0.7002 98 1
15772 . 120.39700 66.000 58.864 1.0000 0.0000 1.51515E-02 0.7002 98 1
15773 . 120.40401 64.000 58.871 1.0000 0.0000 1.56250E-02 0.7002 98 1
15774 . 120.41100 58.000 58.877 1.0000 0.0000 1.72414E-02 0.6992 98 1
15775 . 120.41799 59.000 58.884 1.0000 0.0000 1.69492E-02 0.7002 98 1
15776 . 120.42500 64.000 58.891 1.0000 0.0000 1.56250E-02 0.7002 98 1
15777 . 120.43199 68.000 58.898 1.0000 0.0000 1.47059E-02 0.7002 98 2
15778 . 120.43900 62.000 58.867 1.0000 0.0000 1.61290E-02 0.7002 99 1
15779 . 120.44601 63.000 58.875 1.0000 0.0000 1.58730E-02 0.6992 99 1
15780 . 120.45299 68.000 58.884 1.0000 0.0000 1.47059E-02 0.7002 99 1
15781 . 120.46000 72.000 58.892 1.0000 0.0000 1.38889E-02 0.7002 99 1
15782 . 120.46700 71.000 58.901 1.0000 0.0000 1.40845E-02 0.7002 99 1
15783 . 120.47401 65.000 58.909 1.0000 0.0000 1.53846E-02 0.7002 99 1
15784 . 120.48100 66.000 58.918 1.0000 0.0000 1.51515E-02 0.6992 99 1
15785 . 120.48799 77.000 58.926 1.0000 0.0000 1.29870E-02 0.7002 99 1
15786 . 120.49500 70.000 58.935 1.0000 0.0000 1.42857E-02 0.7002 99 1
15787 . 120.50199 69.000 58.943 1.0000 0.0000 1.44928E-02 0.7002 99 1
15788 . 120.50900 64.000 58.952 1.0000 0.0000 1.56250E-02 0.7002 99 1
15789 . 120.51601 67.000 58.960 1.0000 0.0000 1.49254E-02 0.6992 99 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 279
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15790 . 120.52299 61.000 58.969 1.0000 0.0000 1.63934E-02 0.7002 99 1
15791 . 120.53000 59.000 58.977 1.0000 0.0000 1.69492E-02 0.7002 99 1
15792 . 120.53699 60.000 58.986 1.0000 0.0000 1.66667E-02 0.7002 99 1
15793 . 120.54401 68.000 58.994 1.0000 0.0000 1.47059E-02 0.7002 99 1
15794 . 120.55100 71.000 59.003 1.0000 0.0000 1.40845E-02 0.6992 99 1
15795 . 120.55799 78.000 59.011 1.0000 0.0000 1.28205E-02 0.7002 99 1
15796 . 120.56500 69.000 59.020 1.0000 0.0000 1.44928E-02 0.7002 99 1
15797 . 120.57199 63.000 59.028 1.0000 0.0000 1.58730E-02 0.7002 99 1
15798 . 120.57900 59.000 59.037 1.0000 0.0000 1.69492E-02 0.7002 99 1
15799 . 120.58601 60.000 59.045 1.0000 0.0000 1.66667E-02 0.6992 99 1
15800 . 120.59299 66.000 59.054 1.0000 0.0000 1.51515E-02 0.7002 99 1
15801 . 120.60000 67.000 59.062 1.0000 0.0000 1.49254E-02 0.7002 99 1
15802 . 120.60699 64.000 59.071 1.0000 0.0000 1.56250E-02 0.7002 99 1
15803 . 120.61401 69.000 59.079 1.0000 0.0000 1.44928E-02 0.7002 99 1
15804 . 120.62100 66.000 59.088 1.0000 0.0000 1.51515E-02 0.6992 99 1
15805 . 120.62799 71.000 59.096 1.0000 0.0000 1.40845E-02 0.7002 99 1
15806 . 120.63500 65.000 59.105 1.0000 0.0000 1.53846E-02 0.7002 99 1
15807 . 120.64199 60.000 59.113 1.0000 0.0000 1.66667E-02 0.7002 99 1
15808 . 120.64900 65.000 59.122 1.0000 0.0000 1.53846E-02 0.7002 99 1
15809 . 120.65601 66.000 59.131 1.0000 0.0000 1.51515E-02 0.6992 99 1
15810 . 120.66299 71.000 59.139 1.0000 0.0000 1.40845E-02 0.7002 99 1
15811 . 120.67000 63.000 59.148 1.0000 0.0000 1.58730E-02 0.7002 99 1
15812 . 120.67699 69.000 59.156 1.0000 0.0000 1.44928E-02 0.7002 99 1
15813 . 120.68401 60.000 59.165 1.0000 0.0000 1.66667E-02 0.7002 99 1
15814 . 120.69101 59.000 59.173 1.0000 0.0000 1.69492E-02 0.6992 99 1
15815 . 120.69799 66.000 59.182 1.0000 0.0000 1.51515E-02 0.7002 99 1
15816 . 120.70500 65.000 59.191 1.0000 0.0000 1.53846E-02 0.7002 99 1
15817 . 120.71199 68.000 59.199 1.0000 0.0000 1.47059E-02 0.7002 99 1
15818 . 120.71900 71.000 59.208 1.0000 0.0000 1.40845E-02 0.7002 99 1
15819 . 120.72601 54.000 59.216 1.0000 0.0000 1.85185E-02 0.6992 99 1
15820 . 120.73299 73.000 59.225 1.0000 0.0000 1.36986E-02 0.7002 99 1
15821 . 120.74000 65.000 59.233 1.0000 0.0000 1.53846E-02 0.7002 99 1
15822 . 120.74699 70.000 59.242 1.0000 0.0000 1.42857E-02 0.7002 99 1
15823 . 120.75401 58.000 59.251 1.0000 0.0000 1.72414E-02 0.7002 99 1
15824 . 120.76101 77.000 59.259 1.0000 0.0000 1.29870E-02 0.6992 99 1
15825 . 120.76799 74.000 59.268 1.0000 0.0000 1.35135E-02 0.7002 99 1
15826 . 120.77500 64.000 59.276 1.0000 0.0000 1.56250E-02 0.7002 99 1
15827 . 120.78199 57.000 59.285 1.0000 0.0000 1.75439E-02 0.7002 99 1
15828 . 120.78900 59.000 59.294 1.0000 0.0000 1.69492E-02 0.7002 99 1
15829 . 120.79601 67.000 59.302 1.0000 0.0000 1.49254E-02 0.6992 99 1
15830 .1 120.80299 65.000 59.311 1.0000 0.0000 1.53846E-02 0.7002 99 1
15831 . 120.81000 68.000 59.319 1.0000 0.0000 1.47059E-02 0.7002 99 1
15832 . 120.81699 72.000 59.328 1.0000 0.0000 1.38889E-02 0.7002 99 1
15833 . 120.82401 64.000 59.337 1.0000 0.0000 1.56250E-02 0.7002 99 1
15834 . 120.83101 69.000 59.345 1.0000 0.0000 1.44928E-02 0.6992 99 1
15835 . 120.83799 51.000 59.354 1.0000 0.0000 1.96078E-02 0.7002 99 1
15836 . 120.84500 67.000 59.363 1.0000 0.0000 1.49254E-02 0.7002 99 1
15837 . 120.85199 68.000 59.371 1.0000 0.0000 1.47059E-02 0.7002 99 1
15838 . 120.85900 71.000 59.380 1.0000 0.0000 1.40845E-02 0.7002 99 1
15839 . 120.86600 60.000 59.388 1.0000 0.0000 1.66667E-02 0.6992 99 1
15840 . 120.87299 60.000 59.397 1.0000 0.0000 1.66667E-02 0.7002 99 1
15841 . 120.88000 56.000 59.406 1.0000 0.0000 1.78571E-02 0.7002 99 1
15842 . 120.88699 63.000 59.414 1.0000 0.0000 1.58730E-02 0.7002 99 1
15843 . 120.89400 57.000 59.423 1.0000 0.0000 1.75439E-02 0.7002 99 1
15844 . 120.90101 62.000 59.432 1.0000 0.0000 1.61290E-02 0.6992 99 1
15845 . 120.90799 61.000 59.440 1.0000 0.0000 1.63934E-02 0.7002 99 1
15846 . 120.91500 66.000 59.449 1.0000 0.0000 1.51515E-02 0.7002 99 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 280
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15847 . 120.92199 68.000 59.458 1.0000 0.0000 1.47059E-02 0.7002 99 1
15848 . 120.92900 56.000 59.466 1.0000 0.0000 1.78571E-02 0.7002 99 2
15849 . 120.93600 71.000 59.475 1.0000 0.0000 1.40845E-02 0.6992 99 2
15850 . 120.94299 53.000 59.484 1.0000 0.0000 1.88679E-02 0.7002 99 2
15851 . 120.95000 64.000 59.492 1.0000 0.0000 1.56250E-02 0.7002 99 2
15852 . 120.95699 65.000 59.501 1.0000 0.0000 1.53846E-02 0.7002 99 2
15853 . 120.96400 66.000 59.510 1.0000 0.0000 1.51515E-02 0.7002 99 2
15854 . 120.97101 73.000 59.519 1.0000 0.0000 1.36986E-02 0.6992 99 2
15855 . 120.97799 68.000 59.527 1.0000 0.0000 1.47059E-02 0.7002 99 2
15856 . 120.98500 73.000 59.536 1.0000 0.0000 1.36986E-02 0.7002 99 2
15857 . 120.99199 64.000 59.545 1.0000 0.0000 1.56250E-02 0.7002 99 2
15858 . 120.99900 65.000 59.553 1.0000 0.0000 1.53846E-02 0.7002 99 2
15859 . 121.00600 61.000 59.562 1.0000 0.0000 1.63934E-02 0.6992 99 2
15860 . 121.01299 60.000 59.571 1.0000 0.0000 1.66667E-02 0.7002 99 2
15861 . 121.02000 62.000 59.579 1.0000 0.0000 1.61290E-02 0.7002 99 2
15862 . 121.02699 70.000 59.588 1.0000 0.0000 1.42857E-02 0.7002 99 2
15863 . 121.03400 69.000 59.597 1.0000 0.0000 1.44928E-02 0.7002 99 2
15864 . 121.04101 64.000 59.606 1.0000 0.0000 1.56250E-02 0.6992 99 2
15865 . 121.04799 64.000 59.614 1.0000 0.0000 1.56250E-02 0.7002 99 2
15866 . 121.05500 71.000 59.623 1.0000 0.0000 1.40845E-02 0.7002 99 2
15867 . 121.06199 80.000 59.632 1.0000 0.0000 1.25000E-02 0.7002 99 2
15868 . 121.06900 72.000 59.640 1.0000 0.0000 1.38889E-02 0.7002 99 2
15869 . 121.07600 55.000 59.649 1.0000 0.0000 1.81818E-02 0.6992 99 2
15870 . 121.08298 67.000 59.658 1.0000 0.0000 1.49254E-02 0.7002 99 2
15871 . 121.09000 68.000 59.667 1.0000 0.0000 1.47059E-02 0.7002 99 2
15872 . 121.09699 68.000 59.675 1.0000 0.0000 1.47059E-02 0.7002 99 2
15873 . 121.10400 63.000 59.684 1.0000 0.0000 1.58730E-02 0.7002 99 2
15874 . 121.11101 65.000 59.693 1.0000 0.0000 1.53846E-02 0.6992 99 2
15875 . 121.11799 62.000 59.702 1.0000 0.0000 1.61290E-02 0.7002 99 2
15876 . 121.12500 68.000 59.710 1.0000 0.0000 1.47059E-02 0.7002 99 2
15877 . 121.13199 67.000 59.719 1.0000 0.0000 1.49254E-02 0.7002 99 2
15878 . 121.13901 63.000 59.728 1.0000 0.0000 1.58730E-02 0.7002 99 2
15879 . 121.14600 75.000 59.737 1.0000 0.0000 1.33333E-02 0.6992 99 2
15880 . 121.15298 55.000 59.745 1.0000 0.0000 1.81818E-02 0.7002 99 2
15881 . 121.16000 66.000 59.754 1.0000 0.0000 1.51515E-02 0.7002 99 2
15882 . 121.16699 77.000 59.763 1.0000 0.0000 1.29870E-02 0.7002 99 2
15883 . 121.17400 65.000 59.772 1.0000 0.0000 1.53846E-02 0.7002 99 2
15884 . 121.18101 57.000 59.781 1.0000 0.0000 1.75439E-02 0.6992 99 2
15885 . 121.18799 70.000 59.789 1.0000 0.0000 1.42857E-02 0.7002 100 1
15886 . 121.19500 71.000 59.798 1.0000 0.0000 1.40845E-02 0.7002 100 1
15887 . 121.20200 66.000 59.807 1.0000 0.0000 1.51515E-02 0.7002 100 1
15888 . 121.20901 71.000 59.816 1.0000 0.0000 1.40845E-02 0.7002 100 1
15889 . 121.21600 74.000 59.825 1.0000 0.0000 1.35135E-02 0.6992 100 1
15890 . 121.22299 76.000 59.833 1.0000 0.0000 1.31579E-02 0.7002 100 1
15891 . 121.23000 83.000 59.842 1.0000 0.0000 1.20482E-02 0.7002 100 1
15892 . 121.23699 77.000 59.851 1.0000 0.0000 1.29870E-02 0.7002 100 1
15893 . 121.24400 62.000 59.860 1.0000 0.0000 1.61290E-02 0.7002 100 1
15894 . 121.25101 57.000 59.869 1.0000 0.0000 1.75439E-02 0.6992 100 1
15895 . 121.25799 69.000 59.877 1.0000 0.0000 1.44928E-02 0.7002 100 1
15896 . 121.26500 67.000 59.886 1.0000 0.0000 1.49254E-02 0.7002 100 1
15897 . 121.27200 76.000 59.895 1.0000 0.0000 1.31579E-02 0.7002 100 1
15898 . 121.27901 67.000 59.904 1.0000 0.0000 1.49254E-02 0.7002 100 1
15899 . 121.28600 65.000 59.913 1.0000 0.0000 1.53846E-02 0.6992 100 1
15900 . 121.29299 67.000 59.921 1.0000 0.0000 1.49254E-02 0.7002 100 1
15901 . 121.30000 71.000 59.930 1.0000 0.0000 1.40845E-02 0.7002 100 1
15902 .1 121.30699 61.000 59.939 1.0000 0.0000 1.63934E-02 0.7002 100 1
15903 . 121.31400 69.000 59.948 1.0000 0.0000 1.44928E-02 0.7002 100 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 281
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15904 . 121.32101 69.000 59.957 1.0000 0.0000 1.44928E-02 0.6992 100 1
15905 . 121.32799 68.000 59.966 1.0000 0.0000 1.47059E-02 0.7002 100 1
15906 . 121.33500 72.000 59.975 1.0000 0.0000 1.38889E-02 0.7002 100 1
15907 . 121.34200 73.000 59.983 1.0000 0.0000 1.36986E-02 0.7002 100 1
15908 . 121.34901 75.000 59.992 1.0000 0.0000 1.33333E-02 0.7002 100 1
15909 . 121.35600 66.000 60.001 1.0000 0.0000 1.51515E-02 0.6992 100 1
15910 . 121.36299 65.000 60.010 1.0000 0.0000 1.53846E-02 0.7002 100 1
15911 . 121.37000 78.000 60.019 1.0000 0.0000 1.28205E-02 0.7002 100 1
15912 . 121.37699 83.000 60.028 1.0000 0.0000 1.20482E-02 0.7002 100 1
15913 . 121.38400 66.000 60.037 1.0000 0.0000 1.51515E-02 0.7002 100 1
15914 . 121.39101 67.000 60.045 1.0000 0.0000 1.49254E-02 0.6992 100 1
15915 . 121.39799 71.000 60.054 1.0000 0.0000 1.40845E-02 0.7002 100 1
15916 . 121.40500 72.000 60.063 1.0000 0.0000 1.38889E-02 0.7002 100 1
15917 . 121.41199 66.000 60.072 1.0000 0.0000 1.51515E-02 0.7002 100 1
15918 . 121.41901 67.000 60.081 1.0000 0.0000 1.49254E-02 0.7002 100 1
15919 . 121.42600 78.000 60.090 1.0000 0.0000 1.28205E-02 0.6992 100 1
15920 . 121.43299 76.000 60.099 1.0000 0.0000 1.31579E-02 0.7002 100 1
15921 . 121.44000 74.000 60.108 1.0000 0.0000 1.35135E-02 0.7002 100 1
15922 . 121.44699 71.000 60.116 1.0000 0.0000 1.40845E-02 0.7002 100 1
15923 . 121.45400 69.000 60.125 1.0000 0.0000 1.44928E-02 0.7002 100 1
15924 . 121.46101 68.000 60.134 1.0000 0.0000 1.47059E-02 0.6992 100 1
15925 . 121.46799 62.000 60.143 1.0000 0.0000 1.61290E-02 0.7002 100 1
15926 . 121.47500 61.000 60.152 1.0000 0.0000 1.63934E-02 0.7002 100 1
15927 . 121.48199 74.000 60.161 1.0000 0.0000 1.35135E-02 0.7002 100 1
15928 . 121.48901 56.000 60.170 1.0000 0.0000 1.78571E-02 0.7002 100 1
15929 . 121.49600 67.000 60.179 1.0000 0.0000 1.49254E-02 0.6992 100 1
15930 . 121.50299 64.000 60.188 1.0000 0.0000 1.56250E-02 0.7002 100 1
15931 . 121.51000 61.000 60.197 1.0000 0.0000 1.63934E-02 0.7002 100 1
15932 . 121.51699 73.000 60.206 1.0000 0.0000 1.36986E-02 0.7002 100 1
15933 . 121.52400 72.000 60.215 1.0000 0.0000 1.38889E-02 0.7002 100 1
15934 . 121.53101 69.000 60.224 1.0000 0.0000 1.44928E-02 0.6992 100 1
15935 . 121.53799 59.000 60.232 1.0000 0.0000 1.69492E-02 0.7002 100 1
15936 . 121.54500 54.000 60.241 1.0000 0.0000 1.85185E-02 0.7002 100 1
15937 . 121.55199 58.000 60.250 1.0000 0.0000 1.72414E-02 0.7002 100 1
15938 . 121.55901 64.000 60.259 1.0000 0.0000 1.56250E-02 0.7002 100 1
15939 . 121.56601 65.000 60.268 1.0000 0.0000 1.53846E-02 0.6992 100 1
15940 . 121.57299 58.000 60.277 1.0000 0.0000 1.72414E-02 0.7002 100 1
15941 . 121.58000 70.000 60.286 1.0000 0.0000 1.42857E-02 0.7002 100 1
15942 . 121.58699 78.000 60.295 1.0000 0.0000 1.28205E-02 0.7002 100 1
15943 . 121.59400 74.000 60.304 1.0000 0.0000 1.35135E-02 0.7002 100 1
15944 . 121.60101 53.000 60.313 1.0000 0.0000 1.88679E-02 0.6992 100 1
15945 . 121.60799 68.000 60.322 1.0000 0.0000 1.47059E-02 0.7002 100 1
15946 . 121.61500 61.000 60.331 1.0000 0.0000 1.63934E-02 0.7002 100 1
15947 . 121.62199 64.000 60.340 1.0000 0.0000 1.56250E-02 0.7002 100 1
15948 . 121.62901 66.000 60.349 1.0000 0.0000 1.51515E-02 0.7002 100 1
15949 . 121.63601 66.000 60.358 1.0000 0.0000 1.51515E-02 0.6992 100 1
15950 . 121.64299 58.000 60.367 1.0000 0.0000 1.72414E-02 0.7002 100 1
15951 . 121.65000 72.000 60.376 1.0000 0.0000 1.38889E-02 0.7002 100 1
15952 . 121.65699 73.000 60.385 1.0000 0.0000 1.36986E-02 0.7002 100 1
15953 . 121.66400 60.000 60.394 1.0000 0.0000 1.66667E-02 0.7002 100 1
15954 . 121.67101 59.000 60.403 1.0000 0.0000 1.69492E-02 0.6992 100 1
15955 . 121.67799 53.000 60.412 1.0000 0.0000 1.88679E-02 0.7002 100 1
15956 B 121.68500 63.000 60.421 1.0000 0.0000 1.58730E-02 0.7002 0 1
15957 B 121.69199 65.000 60.430 1.0000 0.0000 1.53846E-02 0.7002 0 1
15958 B 121.69901 65.000 60.439 1.0000 0.0000 1.53846E-02 0.7002 0 1
15959 B 121.70601 86.000 60.448 1.0000 0.0000 1.16279E-02 0.6992 0 1
15960 B 121.71299 69.000 60.457 1.0000 0.0000 1.44928E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 282
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
15961 B 121.72000 65.000 60.466 1.0000 0.0000 1.53846E-02 0.7002 0 1
15962 B 121.72699 70.000 60.475 1.0000 0.0000 1.42857E-02 0.7002 0 1
15963 B 121.73400 58.000 60.484 1.0000 0.0000 1.72414E-02 0.7002 0 1
15964 B 121.74100 64.000 60.493 1.0000 0.0000 1.56250E-02 0.6992 0 1
15965 B 121.74799 63.000 60.502 1.0000 0.0000 1.58730E-02 0.7002 0 1
15966 B 121.75500 60.000 60.511 1.0000 0.0000 1.66667E-02 0.7002 0 1
15967 B 121.76199 65.000 60.520 1.0000 0.0000 1.53846E-02 0.7002 0 1
15968 B 121.76900 62.000 60.529 1.0000 0.0000 1.61290E-02 0.7002 0 1
15969 B 121.77601 60.000 60.538 1.0000 0.0000 1.66667E-02 0.6992 0 1
15970 B 121.78299 67.000 60.547 1.0000 0.0000 1.49254E-02 0.7002 0 1
15971 B 121.79000 66.000 60.556 1.0000 0.0000 1.51515E-02 0.7002 0 1
15972 B 121.79699 67.000 60.565 1.0000 0.0000 1.49254E-02 0.7002 0 1
15973 B 121.80400 62.000 60.574 1.0000 0.0000 1.61290E-02 0.7002 0 1
15974 B 121.81100 82.000 60.583 1.0000 0.0000 1.21951E-02 0.6992 0 1
15975 B 121.81799 67.000 60.592 1.0000 0.0000 1.49254E-02 0.7002 0 1
15976 B 121.82500 74.000 60.602 1.0000 0.0000 1.35135E-02 0.7002 0 1
15977 B 121.83199 76.000 60.611 1.0000 0.0000 1.31579E-02 0.7002 0 1
15978 B 121.83900 75.000 60.620 1.0000 0.0000 1.33333E-02 0.7002 0 1
15979 B 121.84601 70.000 60.629 1.0000 0.0000 1.42857E-02 0.6992 0 1
15980 B 121.85299 59.000 60.638 1.0000 0.0000 1.69492E-02 0.7002 0 1
15981 B 121.86000 63.000 60.647 1.0000 0.0000 1.58730E-02 0.7002 0 1
15982 B 121.86699 67.000 60.656 1.0000 0.0000 1.49254E-02 0.7002 0 1
15983 B 121.87400 62.000 60.665 1.0000 0.0000 1.61290E-02 0.7002 0 1
15984 B 121.88100 67.000 60.674 1.0000 0.0000 1.49254E-02 0.6992 0 1
15985 B 121.88799 75.000 60.683 1.0000 0.0000 1.33333E-02 0.7002 0 1
15986 B 121.89500 77.000 60.692 1.0000 0.0000 1.29870E-02 0.7002 0 1
15987 B 121.90199 66.000 60.701 1.0000 0.0000 1.51515E-02 0.7002 0 1
15988 B 121.90900 61.000 60.711 1.0000 0.0000 1.63934E-02 0.7002 0 1
15989 B 121.91601 77.000 60.720 1.0000 0.0000 1.29870E-02 0.6992 0 1
15990 B 121.92299 61.000 60.729 1.0000 0.0000 1.63934E-02 0.7002 0 1
15991 B 121.93000 72.000 60.738 1.0000 0.0000 1.38889E-02 0.7002 0 1
15992 B 121.93699 68.000 60.747 1.0000 0.0000 1.47059E-02 0.7002 0 1
15993 B 121.94400 66.000 60.756 1.0000 0.0000 1.51515E-02 0.7002 0 1
15994 B 121.95100 75.000 60.765 1.0000 0.0000 1.33333E-02 0.6992 0 1
15995 B 121.95798 66.000 60.774 1.0000 0.0000 1.51515E-02 0.7002 0 1
15996 B 121.96500 67.000 60.783 1.0000 0.0000 1.49254E-02 0.7002 0 1
15997 B 121.97199 63.000 60.793 1.0000 0.0000 1.58730E-02 0.7002 0 1
15998 B 121.97900 63.000 60.802 1.0000 0.0000 1.58730E-02 0.7002 0 1
15999 B 121.98601 68.000 60.811 1.0000 0.0000 1.47059E-02 0.6992 0 1
16000 B 121.99299 58.000 60.820 1.0000 0.0000 1.72414E-02 0.7002 0 1
16001 B 122.00000 67.000 60.829 1.0000 0.0000 1.49254E-02 0.7002 0 1
16002 B 122.00699 76.000 60.838 1.0000 0.0000 1.31579E-02 0.7002 0 1
16003 B 122.01401 71.000 60.847 1.0000 0.0000 1.40845E-02 0.7002 0 1
16004 B 122.02100 53.000 60.857 1.0000 0.0000 1.88679E-02 0.6992 0 1
16005 B 122.02798 60.000 60.866 1.0000 0.0000 1.66667E-02 0.7002 0 1
16006 B 122.03500 78.000 60.875 1.0000 0.0000 1.28205E-02 0.7002 0 1
16007 B 122.04199 85.000 60.884 1.0000 0.0000 1.17647E-02 0.7002 0 1
16008 B 122.04900 75.000 60.893 1.0000 0.0000 1.33333E-02 0.7002 0 1
16009 B 122.05601 69.000 60.902 1.0000 0.0000 1.44928E-02 0.6992 0 1
16010 B 122.06299 67.000 60.912 1.0000 0.0000 1.49254E-02 0.7002 0 1
16011 B 122.07000 60.000 60.921 1.0000 0.0000 1.66667E-02 0.7002 0 1
16012 B 122.07700 69.000 60.930 1.0000 0.0000 1.44928E-02 0.7002 0 1
16013 B 122.08401 71.000 60.939 1.0000 0.0000 1.40845E-02 0.7002 0 1
16014 B 122.09100 66.000 60.948 1.0000 0.0000 1.51515E-02 0.6992 0 1
16015 B 122.09799 81.000 60.957 1.0000 0.0000 1.23457E-02 0.7002 0 1
16016 B 122.10500 61.000 60.967 1.0000 0.0000 1.63934E-02 0.7002 0 1
16017 B 122.11199 85.000 60.976 1.0000 0.0000 1.17647E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 283
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16018 B 122.11900 79.000 60.985 1.0000 0.0000 1.26582E-02 0.7002 0 1
16019 B 122.12601 58.000 60.994 1.0000 0.0000 1.72414E-02 0.6992 0 1
16020 B 122.13299 65.000 61.003 1.0000 0.0000 1.53846E-02 0.7002 0 1
16021 B 122.14000 55.000 61.013 1.0000 0.0000 1.81818E-02 0.7002 0 1
16022 B 122.14700 61.000 61.022 1.0000 0.0000 1.63934E-02 0.7002 0 1
16023 B 122.15401 63.000 61.031 1.0000 0.0000 1.58730E-02 0.7002 0 1
16024 B 122.16100 75.000 61.040 1.0000 0.0000 1.33333E-02 0.6992 0 1
16025 B 122.16799 64.000 61.049 1.0000 0.0000 1.56250E-02 0.7002 0 1
16026 B 122.17500 65.000 61.059 1.0000 0.0000 1.53846E-02 0.7002 0 1
16027 B 122.18199 67.000 61.068 1.0000 0.0000 1.49254E-02 0.7002 0 1
16028 B 122.18900 68.000 61.077 1.0000 0.0000 1.47059E-02 0.7002 0 1
16029 B 122.19601 73.000 61.086 1.0000 0.0000 1.36986E-02 0.6992 0 1
16030 B 122.20299 63.000 61.096 1.0000 0.0000 1.58730E-02 0.7002 0 1
16031 B 122.21000 62.000 61.105 1.0000 0.0000 1.61290E-02 0.7002 0 1
16032 B 122.21700 80.000 61.114 1.0000 0.0000 1.25000E-02 0.7002 0 1
16033 B 122.22401 81.000 61.123 1.0000 0.0000 1.23457E-02 0.7002 0 1
16034 B 122.23100 68.000 61.132 1.0000 0.0000 1.47059E-02 0.6992 0 1
16035 B 122.23799 78.000 61.142 1.0000 0.0000 1.28205E-02 0.7002 0 1
16036 B 122.24500 73.000 61.151 1.0000 0.0000 1.36986E-02 0.7002 0 1
16037 B 122.25199 62.000 61.160 1.0000 0.0000 1.61290E-02 0.7002 0 1
16038 B 122.25900 67.000 61.169 1.0000 0.0000 1.49254E-02 0.7002 0 1
16039 B 122.26601 78.000 61.179 1.0000 0.0000 1.28205E-02 0.6992 0 1
16040 B 122.27299 80.000 61.188 1.0000 0.0000 1.25000E-02 0.7002 0 1
16041 B 122.28000 65.000 61.197 1.0000 0.0000 1.53846E-02 0.7002 0 1
16042 B 122.28699 62.000 61.207 1.0000 0.0000 1.61290E-02 0.7002 0 1
16043 B 122.29401 69.000 61.216 1.0000 0.0000 1.44928E-02 0.7002 0 1
16044 B 122.30100 78.000 61.225 1.0000 0.0000 1.28205E-02 0.6992 0 1
16045 B 122.30799 83.000 61.234 1.0000 0.0000 1.20482E-02 0.7002 0 1
16046 B 122.31500 75.000 61.244 1.0000 0.0000 1.33333E-02 0.7002 0 1
16047 B 122.32199 63.000 61.253 1.0000 0.0000 1.58730E-02 0.7002 0 1
16048 B 122.32900 60.000 61.262 1.0000 0.0000 1.66667E-02 0.7002 0 1
16049 B 122.33601 65.000 61.271 1.0000 0.0000 1.53846E-02 0.6992 0 1
16050 B 122.34299 67.000 61.281 1.0000 0.0000 1.49254E-02 0.7002 0 1
16051 B 122.35000 82.000 61.290 1.0000 0.0000 1.21951E-02 0.7002 0 1
16052 B 122.35699 71.000 61.299 1.0000 0.0000 1.40845E-02 0.7002 0 1
16053 B 122.36401 56.000 61.309 1.0000 0.0000 1.78571E-02 0.7002 0 1
16054 B 122.37100 66.000 61.318 1.0000 0.0000 1.51515E-02 0.6992 0 1
16055 B 122.37799 80.000 61.327 1.0000 0.0000 1.25000E-02 0.7002 0 1
16056 B 122.38500 73.000 61.337 1.0000 0.0000 1.36986E-02 0.7002 0 1
16057 B 122.39199 78.000 61.346 1.0000 0.0000 1.28205E-02 0.7002 0 1
16058 B 122.39900 75.000 61.355 1.0000 0.0000 1.33333E-02 0.7002 0 1
16059 B 122.40601 66.000 61.365 1.0000 0.0000 1.51515E-02 0.6992 0 1
16060 B 122.41299 57.000 61.374 1.0000 0.0000 1.75439E-02 0.7002 0 1
16061 B 122.42000 59.000 61.383 1.0000 0.0000 1.69492E-02 0.7002 0 1
16062 B 122.42699 77.000 61.392 1.0000 0.0000 1.29870E-02 0.7002 0 1
16063 B 122.43401 67.000 61.402 1.0000 0.0000 1.49254E-02 0.7002 0 1
16064 B 122.44101 76.000 61.411 1.0000 0.0000 1.31579E-02 0.6992 0 1
16065 B 122.44799 61.000 61.420 1.0000 0.0000 1.63934E-02 0.7002 0 1
16066 B 122.45500 72.000 61.430 1.0000 0.0000 1.38889E-02 0.7002 0 1
16067 B 122.46199 77.000 61.439 1.0000 0.0000 1.29870E-02 0.7002 0 1
16068 B 122.46900 54.000 61.449 1.0000 0.0000 1.85185E-02 0.7002 0 1
16069 B 122.47601 68.000 61.458 1.0000 0.0000 1.47059E-02 0.6992 0 1
16070 B 122.48299 74.000 61.467 1.0000 0.0000 1.35135E-02 0.7002 0 1
16071 B 122.49000 73.000 61.477 1.0000 0.0000 1.36986E-02 0.7002 0 1
16072 B 122.49699 72.000 61.486 1.0000 0.0000 1.38889E-02 0.7002 0 1
16073 B 122.50401 68.000 61.495 1.0000 0.0000 1.47059E-02 0.7002 0 1
16074 B 122.51101 68.000 61.505 1.0000 0.0000 1.47059E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 284
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16075 B 122.51799 73.000 61.514 1.0000 0.0000 1.36986E-02 0.7002 0 1
16076 B 122.52500 75.000 61.523 1.0000 0.0000 1.33333E-02 0.7002 0 1
16077 B 122.53199 63.000 61.533 1.0000 0.0000 1.58730E-02 0.7002 0 1
16078 B 122.53900 74.000 61.542 1.0000 0.0000 1.35135E-02 0.7002 0 1
16079 B 122.54601 67.000 61.552 1.0000 0.0000 1.49254E-02 0.6992 0 1
16080 B 122.55299 61.000 61.561 1.0000 0.0000 1.63934E-02 0.7002 0 1
16081 B 122.56000 74.000 61.570 1.0000 0.0000 1.35135E-02 0.7002 0 1
16082 B 122.56699 71.000 61.580 1.0000 0.0000 1.40845E-02 0.7002 0 1
16083 B 122.57401 78.000 61.589 1.0000 0.0000 1.28205E-02 0.7002 0 1
16084 B 122.58101 72.000 61.598 1.0000 0.0000 1.38889E-02 0.6992 0 1
16085 B 122.58799 66.000 61.608 1.0000 0.0000 1.51515E-02 0.7002 0 1
16086 B 122.59500 64.000 61.617 1.0000 0.0000 1.56250E-02 0.7002 0 1
16087 B 122.60199 64.000 61.627 1.0000 0.0000 1.56250E-02 0.7002 0 1
16088 B 122.60900 64.000 61.636 1.0000 0.0000 1.56250E-02 0.7002 0 1
16089 B 122.61600 56.000 61.646 1.0000 0.0000 1.78571E-02 0.6992 0 1
16090 B 122.62299 76.000 61.655 1.0000 0.0000 1.31579E-02 0.7002 0 1
16091 B 122.63000 70.000 61.664 1.0000 0.0000 1.42857E-02 0.7002 0 1
16092 B 122.63699 71.000 61.674 1.0000 0.0000 1.40845E-02 0.7002 0 1
16093 B 122.64400 64.000 61.683 1.0000 0.0000 1.56250E-02 0.7002 0 1
16094 B 122.65101 68.000 61.693 1.0000 0.0000 1.47059E-02 0.6992 0 1
16095 B 122.65799 75.000 61.702 1.0000 0.0000 1.33333E-02 0.7002 0 1
16096 B 122.66500 74.000 61.711 1.0000 0.0000 1.35135E-02 0.7002 0 1
16097 B 122.67199 58.000 61.721 1.0000 0.0000 1.72414E-02 0.7002 0 1
16098 B 122.67900 67.000 61.730 1.0000 0.0000 1.49254E-02 0.7002 0 1
16099 B 122.68600 75.000 61.740 1.0000 0.0000 1.33333E-02 0.6992 0 1
16100 B 122.69299 65.000 61.749 1.0000 0.0000 1.53846E-02 0.7002 0 1
16101 B 122.70000 67.000 61.759 1.0000 0.0000 1.49254E-02 0.7002 0 1
16102 B 122.70699 66.000 61.768 1.0000 0.0000 1.51515E-02 0.7002 0 1
16103 B 122.71400 66.000 61.778 1.0000 0.0000 1.51515E-02 0.7002 0 1
16104 B 122.72101 71.000 61.787 1.0000 0.0000 1.40845E-02 0.6992 0 1
16105 B 122.72799 73.000 61.796 1.0000 0.0000 1.36986E-02 0.7002 0 1
16106 B 122.73500 66.000 61.806 1.0000 0.0000 1.51515E-02 0.7002 0 1
16107 B 122.74199 75.000 61.815 1.0000 0.0000 1.33333E-02 0.7002 0 1
16108 B 122.74900 67.000 61.825 1.0000 0.0000 1.49254E-02 0.7002 0 1
16109 B 122.75600 66.000 61.834 1.0000 0.0000 1.51515E-02 0.6992 0 1
16110 B 122.76299 66.000 61.844 1.0000 0.0000 1.51515E-02 0.7002 0 1
16111 B 122.77000 65.000 61.853 1.0000 0.0000 1.53846E-02 0.7002 0 1
16112 B 122.77699 63.000 61.863 1.0000 0.0000 1.58730E-02 0.7002 0 1
16113 B 122.78400 58.000 61.872 1.0000 0.0000 1.72414E-02 0.7002 0 1
16114 B 122.79101 66.000 61.882 1.0000 0.0000 1.51515E-02 0.6992 0 1
16115 B 122.79799 60.000 61.891 1.0000 0.0000 1.66667E-02 0.7002 0 1
16116 B 122.80500 74.000 61.901 1.0000 0.0000 1.35135E-02 0.7002 0 1
16117 B 122.81199 62.000 61.910 1.0000 0.0000 1.61290E-02 0.7002 0 1
16118 B 122.81900 63.000 61.920 1.0000 0.0000 1.58730E-02 0.7002 0 1
16119 B 122.82600 62.000 61.929 1.0000 0.0000 1.61290E-02 0.6992 0 1
16120 B 122.83298 69.000 61.939 1.0000 0.0000 1.44928E-02 0.7002 0 1
16121 B 122.84000 77.000 61.948 1.0000 0.0000 1.29870E-02 0.7002 0 1
16122 B 122.84699 81.000 61.958 1.0000 0.0000 1.23457E-02 0.7002 0 1
16123 B 122.85400 74.000 61.967 1.0000 0.0000 1.35135E-02 0.7002 0 1
16124 B 122.86101 67.000 61.977 1.0000 0.0000 1.49254E-02 0.6992 0 1
16125 B 122.86799 73.000 61.986 1.0000 0.0000 1.36986E-02 0.7002 0 1
16126 B 122.87500 74.000 61.996 1.0000 0.0000 1.35135E-02 0.7002 0 1
16127 B 122.88199 78.000 62.005 1.0000 0.0000 1.28205E-02 0.7002 0 1
16128 B 122.88901 60.000 62.015 1.0000 0.0000 1.66667E-02 0.7002 0 1
16129 B 122.89600 60.000 62.024 1.0000 0.0000 1.66667E-02 0.6992 0 1
16130 B 122.90298 72.000 62.034 1.0000 0.0000 1.38889E-02 0.7002 0 1
16131 B 122.91000 64.000 62.044 1.0000 0.0000 1.56250E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 285
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16132 B 122.91699 72.000 62.053 1.0000 0.0000 1.38889E-02 0.7002 0 1
16133 B 122.92400 61.000 62.063 1.0000 0.0000 1.63934E-02 0.7002 0 1
16134 B 122.93101 62.000 62.072 1.0000 0.0000 1.61290E-02 0.6992 0 1
16135 B 122.93799 63.000 62.082 1.0000 0.0000 1.58730E-02 0.7002 0 1
16136 B 122.94500 67.000 62.091 1.0000 0.0000 1.49254E-02 0.7002 0 1
16137 B 122.95200 64.000 62.101 1.0000 0.0000 1.56250E-02 0.7002 0 1
16138 B 122.95901 63.000 62.110 1.0000 0.0000 1.58730E-02 0.7002 0 1
16139 B 122.96600 67.000 62.120 1.0000 0.0000 1.49254E-02 0.6992 0 1
16140 B 122.97299 62.000 62.130 1.0000 0.0000 1.61290E-02 0.7002 0 1
16141 B 122.98000 76.000 62.139 1.0000 0.0000 1.31579E-02 0.7002 0 1
16142 B 122.98699 62.000 62.149 1.0000 0.0000 1.61290E-02 0.7002 0 1
16143 B 122.99400 70.000 62.158 1.0000 0.0000 1.42857E-02 0.7002 0 1
16144 B 123.00101 75.000 62.168 1.0000 0.0000 1.33333E-02 0.6992 0 1
16145 B 123.00799 61.000 62.177 1.0000 0.0000 1.63934E-02 0.7002 0 1
16146 B 123.01500 64.000 62.187 1.0000 0.0000 1.56250E-02 0.7002 0 1
16147 B 123.02200 69.000 62.197 1.0000 0.0000 1.44928E-02 0.7002 0 1
16148 B 123.02901 70.000 62.206 1.0000 0.0000 1.42857E-02 0.7002 0 1
16149 B 123.03600 65.000 62.216 1.0000 0.0000 1.53846E-02 0.6992 0 1
16150 B 123.04299 75.000 62.225 1.0000 0.0000 1.33333E-02 0.7002 0 1
16151 B 123.05000 75.000 62.235 1.0000 0.0000 1.33333E-02 0.7002 0 1
16152 B 123.05699 70.000 62.245 1.0000 0.0000 1.42857E-02 0.7002 0 1
16153 B 123.06400 69.000 62.254 1.0000 0.0000 1.44928E-02 0.7002 0 1
16154 B 123.07101 63.000 62.264 1.0000 0.0000 1.58730E-02 0.6992 0 1
16155 B 123.07799 75.000 62.273 1.0000 0.0000 1.33333E-02 0.7002 0 1
16156 B 123.08500 69.000 62.283 1.0000 0.0000 1.44928E-02 0.7002 0 1
16157 B 123.09200 71.000 62.293 1.0000 0.0000 1.40845E-02 0.7002 0 1
16158 B 123.09901 66.000 62.302 1.0000 0.0000 1.51515E-02 0.7002 0 1
16159 B 123.10600 77.000 62.312 1.0000 0.0000 1.29870E-02 0.6992 0 1
16160 B 123.11299 76.000 62.322 1.0000 0.0000 1.31579E-02 0.7002 0 1
16161 B 123.12000 73.000 62.331 1.0000 0.0000 1.36986E-02 0.7002 0 1
16162 B 123.12699 80.000 62.341 1.0000 0.0000 1.25000E-02 0.7002 0 1
16163 B 123.13400 68.000 62.350 1.0000 0.0000 1.47059E-02 0.7002 0 1
16164 B 123.14101 70.000 62.360 1.0000 0.0000 1.42857E-02 0.6992 0 1
16165 B 123.14799 67.000 62.370 1.0000 0.0000 1.49254E-02 0.7002 0 1
16166 B 123.15500 63.000 62.379 1.0000 0.0000 1.58730E-02 0.7002 0 1
16167 B 123.16199 65.000 62.389 1.0000 0.0000 1.53846E-02 0.7002 0 1
16168 B 123.16901 79.000 62.399 1.0000 0.0000 1.26582E-02 0.7002 0 1
16169 B 123.17600 69.000 62.408 1.0000 0.0000 1.44928E-02 0.6992 0 1
16170 B 123.18299 75.000 62.418 1.0000 0.0000 1.33333E-02 0.7002 0 1
16171 B 123.19000 63.000 62.428 1.0000 0.0000 1.58730E-02 0.7002 0 1
16172 B 123.19699 71.000 62.437 1.0000 0.0000 1.40845E-02 0.7002 0 1
16173 B 123.20400 64.000 62.447 1.0000 0.0000 1.56250E-02 0.7002 0 1
16174 B 123.21101 74.000 62.457 1.0000 0.0000 1.35135E-02 0.6992 0 1
16175 B 123.21799 84.000 62.466 1.0000 0.0000 1.19048E-02 0.7002 0 1
16176 B 123.22500 70.000 62.476 1.0000 0.0000 1.42857E-02 0.7002 0 1
16177 B 123.23199 69.000 62.486 1.0000 0.0000 1.44928E-02 0.7002 0 1
16178 B 123.23901 65.000 62.495 1.0000 0.0000 1.53846E-02 0.7002 0 1
16179 B 123.24600 63.000 62.505 1.0000 0.0000 1.58730E-02 0.6992 0 1
16180 B 123.25299 63.000 62.515 1.0000 0.0000 1.58730E-02 0.7002 0 1
16181 B 123.26000 62.000 62.524 1.0000 0.0000 1.61290E-02 0.7002 0 1
16182 B 123.26699 63.000 62.534 1.0000 0.0000 1.58730E-02 0.7002 0 1
16183 B 123.27400 74.000 62.544 1.0000 0.0000 1.35135E-02 0.7002 0 1
16184 B 123.28101 67.000 62.554 1.0000 0.0000 1.49254E-02 0.6992 0 1
16185 B 123.28799 65.000 62.563 1.0000 0.0000 1.53846E-02 0.7002 0 1
16186 B 123.29500 63.000 62.573 1.0000 0.0000 1.58730E-02 0.7002 0 1
16187 B 123.30199 60.000 62.583 1.0000 0.0000 1.66667E-02 0.7002 0 1
16188 B 123.30901 64.000 62.592 1.0000 0.0000 1.56250E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 286
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16189 B 123.31601 63.000 62.602 1.0000 0.0000 1.58730E-02 0.6992 0 1
16190 B 123.32299 73.000 62.612 1.0000 0.0000 1.36986E-02 0.7002 0 1
16191 B 123.33000 60.000 62.622 1.0000 0.0000 1.66667E-02 0.7002 0 1
16192 B 123.33699 54.000 62.631 1.0000 0.0000 1.85185E-02 0.7002 0 1
16193 B 123.34400 68.000 62.641 1.0000 0.0000 1.47059E-02 0.7002 0 1
16194 B 123.35101 69.000 62.651 1.0000 0.0000 1.44928E-02 0.6992 0 1
16195 B 123.35799 67.000 62.660 1.0000 0.0000 1.49254E-02 0.7002 0 1
16196 B 123.36500 70.000 62.670 1.0000 0.0000 1.42857E-02 0.7002 0 1
16197 B 123.37199 76.000 62.680 1.0000 0.0000 1.31579E-02 0.7002 0 1
16198 B 123.37901 75.000 62.690 1.0000 0.0000 1.33333E-02 0.7002 0 1
16199 B 123.38601 63.000 62.700 1.0000 0.0000 1.58730E-02 0.6992 0 1
16200 B 123.39299 80.000 62.709 1.0000 0.0000 1.25000E-02 0.7002 0 1
16201 B 123.40000 66.000 62.719 1.0000 0.0000 1.51515E-02 0.7002 0 1
16202 B 123.40699 65.000 62.729 1.0000 0.0000 1.53846E-02 0.7002 0 1
16203 B 123.41400 69.000 62.739 1.0000 0.0000 1.44928E-02 0.7002 0 1
16204 . 123.42101 61.000 63.072 1.0000 0.0000 1.63934E-02 0.6992 101 1
16205 . 123.42799 64.000 63.094 1.0000 0.0000 1.56250E-02 0.7002 101 1
16206 . 123.43500 57.000 63.116 1.0000 0.0000 1.75439E-02 0.7002 101 1
16207 . 123.44199 65.000 63.139 1.0000 0.0000 1.53846E-02 0.7002 101 1
16208 . 123.44901 72.000 63.163 1.0000 0.0000 1.38889E-02 0.7002 101 1
16209 . 123.45601 65.000 63.188 1.0000 0.0000 1.53846E-02 0.6992 101 1
16210 . 123.46299 62.000 63.214 1.0000 0.0000 1.61290E-02 0.7002 101 1
16211 . 123.47000 69.000 63.241 1.0000 0.0000 1.44928E-02 0.7002 101 1
16212 . 123.47699 72.000 63.269 1.0000 0.0000 1.38889E-02 0.7002 101 1
16213 . 123.48400 74.000 63.298 1.0000 0.0000 1.35135E-02 0.7002 101 1
16214 . 123.49100 67.000 63.328 1.0000 0.0000 1.49254E-02 0.6992 101 1
16215 . 123.49799 75.000 63.360 1.0000 0.0000 1.33333E-02 0.7002 101 1
16216 . 123.50500 73.000 63.393 1.0000 0.0000 1.36986E-02 0.7002 101 1
16217 . 123.51199 81.000 63.428 1.0000 0.0000 1.23457E-02 0.7002 101 1
16218 . 123.51900 70.000 63.464 1.0000 0.0000 1.42857E-02 0.7002 101 1
16219 . 123.52601 69.000 63.503 1.0000 0.0000 1.44928E-02 0.6992 101 1
16220 . 123.53299 54.000 63.544 1.0000 0.0000 1.85185E-02 0.7002 101 1
16221 . 123.54000 61.000 63.587 1.0000 0.0000 1.63934E-02 0.7002 101 1
16222 . 123.54699 71.000 63.633 1.0000 0.0000 1.40845E-02 0.7002 101 1
16223 . 123.55400 69.000 63.682 1.0000 0.0000 1.44928E-02 0.7002 101 1
16224 . 123.56100 59.000 63.735 1.0000 0.0000 1.69492E-02 0.6992 101 1
16225 . 123.56799 72.000 63.791 1.0000 0.0000 1.38889E-02 0.7002 101 1
16226 . 123.57500 67.000 63.851 1.0000 0.0000 1.49254E-02 0.7002 101 1
16227 . 123.58199 68.000 63.915 1.0000 0.0000 1.47059E-02 0.7002 101 1
16228 . 123.58900 75.000 63.985 1.0000 0.0000 1.33333E-02 0.7002 101 1
16229 . 123.59601 80.000 64.061 1.0000 0.0000 1.25000E-02 0.6992 101 1
16230 . 123.60299 66.000 64.143 1.0000 0.0000 1.51515E-02 0.7002 101 1
16231 . 123.61000 63.000 64.233 1.0000 0.0000 1.58730E-02 0.7002 101 1
16232 . 123.61699 75.000 64.331 1.0000 0.0000 1.33333E-02 0.7002 101 1
16233 . 123.62400 77.000 64.440 1.0000 0.0000 1.29870E-02 0.7002 101 1
16234 . 123.63100 77.000 64.560 1.0000 0.0000 1.29870E-02 0.6992 101 1
16235 . 123.63799 84.000 64.694 1.0000 0.0000 1.19048E-02 0.7002 101 1
16236 . 123.64500 73.000 64.845 1.0000 0.0000 1.36986E-02 0.7002 101 1
16237 . 123.65199 73.000 65.018 1.0000 0.0000 1.36986E-02 0.7002 101 1
16238 . 123.65900 62.000 65.219 1.0000 0.0000 1.61290E-02 0.7002 101 1
16239 . 123.66601 76.000 65.459 1.0000 0.0000 1.31579E-02 0.6992 101 1
16240 . 123.67299 65.000 65.749 1.0000 0.0000 1.53846E-02 0.7002 101 1
16241 . 123.68000 56.000 66.115 1.0000 0.0000 1.78571E-02 0.7002 101 1
16242 . 123.68699 64.000 66.583 1.0000 0.0000 1.56250E-02 0.7002 101 1
16243 . 123.69400 69.000 67.197 1.0000 0.0000 1.44928E-02 0.7002 101 1
16244 . 123.70100 76.000 68.009 1.0000 0.0000 1.31579E-02 0.6992 101 1
16245 . 123.70798 69.000 69.086 1.0000 0.0000 1.44928E-02 0.7002 101 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 287
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16246 . 123.71500 71.000 70.515 1.0000 0.0000 1.40845E-02 0.7002 101 1
16247 . 123.72199 62.000 72.376 1.0000 0.0000 1.61290E-02 0.7002 101 1
16248 . 123.72900 74.000 74.767 1.0000 0.0000 1.35135E-02 0.7002 101 1
16249 . 123.73601 71.000 77.757 1.0000 0.0000 1.40845E-02 0.6992 101 1
16250 . 123.74299 67.000 81.385 1.0000 0.0000 1.49254E-02 0.7002 101 1
16251 . 123.75000 66.000 85.683 1.0000 0.0000 1.51515E-02 0.7002 101 1
16252 . 123.75699 65.000 90.567 1.0000 0.0000 1.53846E-02 0.7002 101 1
16253 . 123.76401 75.000 95.930 1.0000 0.0000 1.33333E-02 0.7002 101 1
16254 . 123.77100 81.000 101.52 1.0000 0.0000 1.23457E-02 0.6992 101 1
16255 . 123.77798 71.000 106.98 1.0000 0.0000 1.40845E-02 0.7002 101 1
16256 . 123.78500 66.000 111.90 1.0000 0.0000 1.51515E-02 0.7002 101 1
16257 . 123.79199 54.000 115.66 1.0000 0.0000 1.85185E-02 0.7002 101 1
16258 .1 123.79900 61.000 117.75 1.0000 0.0000 1.63934E-02 0.7002 101 1
16259 . 123.80601 80.000 117.81 1.0000 0.0000 1.25000E-02 0.6992 101 1
16260 . 123.81299 73.000 115.82 1.0000 0.0000 1.36986E-02 0.7002 101 1
16261 . 123.82000 70.000 112.13 1.0000 0.0000 1.42857E-02 0.7002 101 1
16262 . 123.82700 74.000 107.29 1.0000 0.0000 1.35135E-02 0.7002 101 1
16263 . 123.83401 65.000 101.83 1.0000 0.0000 1.53846E-02 0.7002 101 1
16264 . 123.84100 66.000 96.262 1.0000 0.0000 1.51515E-02 0.6992 101 1
16265 . 123.84799 74.000 90.926 1.0000 0.0000 1.35135E-02 0.7002 101 1
16266 . 123.85500 72.000 86.025 1.0000 0.0000 1.38889E-02 0.7002 101 1
16267 . 123.86199 58.000 81.731 1.0000 0.0000 1.72414E-02 0.7002 101 1
16268 . 123.86900 63.000 78.079 1.0000 0.0000 1.58730E-02 0.7002 101 1
16269 . 123.87601 71.000 75.085 1.0000 0.0000 1.40845E-02 0.6992 101 1
16270 . 123.88299 70.000 72.699 1.0000 0.0000 1.42857E-02 0.7002 101 1
16271 . 123.89000 73.000 70.832 1.0000 0.0000 1.36986E-02 0.7002 101 1
16272 . 123.89700 70.000 69.409 1.0000 0.0000 1.42857E-02 0.7002 101 1
16273 . 123.90401 63.000 68.335 1.0000 0.0000 1.58730E-02 0.7002 101 1
16274 . 123.91100 64.000 67.533 1.0000 0.0000 1.56250E-02 0.6992 101 1
16275 . 123.91799 60.000 66.934 1.0000 0.0000 1.66667E-02 0.7002 101 1
16276 . 123.92500 55.000 66.480 1.0000 0.0000 1.81818E-02 0.7002 101 1
16277 . 123.93199 61.000 66.131 1.0000 0.0000 1.63934E-02 0.7002 101 1
16278 . 123.93900 56.000 65.856 1.0000 0.0000 1.78571E-02 0.7002 101 1
16279 . 123.94601 67.000 65.635 1.0000 0.0000 1.49254E-02 0.6992 101 1
16280 . 123.95299 81.000 65.618 1.0000 0.0000 1.23457E-02 0.7002 101 2
16281 . 123.96000 64.000 65.470 1.0000 0.0000 1.56250E-02 0.7002 101 2
16282 . 123.96700 69.000 65.344 1.0000 0.0000 1.44928E-02 0.7002 101 2
16283 . 123.97401 62.000 65.236 1.0000 0.0000 1.61290E-02 0.7002 101 2
16284 . 123.98100 65.000 65.143 1.0000 0.0000 1.53846E-02 0.6992 101 2
16285 . 123.98799 61.000 65.062 1.0000 0.0000 1.63934E-02 0.7002 101 2
16286 . 123.99500 68.000 64.991 1.0000 0.0000 1.47059E-02 0.7002 101 2
16287 . 124.00199 64.000 64.929 1.0000 0.0000 1.56250E-02 0.7002 101 2
16288 . 124.00900 63.000 64.876 1.0000 0.0000 1.58730E-02 0.7002 101 2
16289 . 124.01601 57.000 64.829 1.0000 0.0000 1.75439E-02 0.6992 101 2
16290 . 124.02299 61.000 64.790 1.0000 0.0000 1.63934E-02 0.7002 101 2
16291 . 124.03000 64.000 64.778 1.0000 0.0000 1.56250E-02 0.7002 101 3
16292 . 124.03699 71.000 64.751 1.0000 0.0000 1.40845E-02 0.7002 101 3
16293 . 124.04401 67.000 64.728 1.0000 0.0000 1.49254E-02 0.7002 101 3
16294 . 124.05100 77.000 64.710 1.0000 0.0000 1.29870E-02 0.6992 101 3
16295 . 124.05799 69.000 64.697 1.0000 0.0000 1.44928E-02 0.7002 101 3
16296 . 124.06500 62.000 64.688 1.0000 0.0000 1.61290E-02 0.7002 101 3
16297 . 124.07199 78.000 64.682 1.0000 0.0000 1.28205E-02 0.7002 101 3
16298 . 124.07900 67.000 64.681 1.0000 0.0000 1.49254E-02 0.7002 101 3
16299 . 124.08601 67.000 64.683 1.0000 0.0000 1.49254E-02 0.6992 101 3
16300 . 124.09299 72.000 64.689 1.0000 0.0000 1.38889E-02 0.7002 101 3
16301 . 124.10000 75.000 64.699 1.0000 0.0000 1.33333E-02 0.7002 101 3
16302 . 124.10699 72.000 64.713 1.0000 0.0000 1.38889E-02 0.7002 101 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 288
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16303 . 124.11401 66.000 64.731 1.0000 0.0000 1.51515E-02 0.7002 101 3
16304 . 124.12100 71.000 64.753 1.0000 0.0000 1.40845E-02 0.6992 101 3
16305 . 124.12799 65.000 64.779 1.0000 0.0000 1.53846E-02 0.7002 101 3
16306 . 124.13500 66.000 64.810 1.0000 0.0000 1.51515E-02 0.7002 101 3
16307 . 124.14199 71.000 64.846 1.0000 0.0000 1.40845E-02 0.7002 101 3
16308 . 124.14900 73.000 64.888 1.0000 0.0000 1.36986E-02 0.7002 101 3
16309 . 124.15601 66.000 64.936 1.0000 0.0000 1.51515E-02 0.6992 101 3
16310 . 124.16299 69.000 64.991 1.0000 0.0000 1.44928E-02 0.7002 101 3
16311 . 124.17000 65.000 65.055 1.0000 0.0000 1.53846E-02 0.7002 101 3
16312 . 124.17699 79.000 65.128 1.0000 0.0000 1.26582E-02 0.7002 101 3
16313 . 124.18401 72.000 64.889 1.0000 0.0000 1.38889E-02 0.7002 102 2
16314 . 124.19101 61.000 65.002 1.0000 0.0000 1.63934E-02 0.6992 102 2
16315 . 124.19799 61.000 65.135 1.0000 0.0000 1.63934E-02 0.7002 102 2
16316 . 124.20500 53.000 65.296 1.0000 0.0000 1.88679E-02 0.7002 102 2
16317 . 124.21199 58.000 65.496 1.0000 0.0000 1.72414E-02 0.7002 102 2
16318 . 124.21900 74.000 65.751 1.0000 0.0000 1.35135E-02 0.7002 102 2
16319 . 124.22601 66.000 66.082 1.0000 0.0000 1.51515E-02 0.6992 102 2
16320 . 124.23299 58.000 66.515 1.0000 0.0000 1.72414E-02 0.7002 102 2
16321 . 124.24000 59.000 67.089 1.0000 0.0000 1.69492E-02 0.7002 102 2
16322 . 124.24699 57.000 67.839 1.0000 0.0000 1.75439E-02 0.7002 102 2
16323 . 124.25401 61.000 68.815 1.0000 0.0000 1.63934E-02 0.7002 102 2
16324 . 124.26101 74.000 70.055 1.0000 0.0000 1.35135E-02 0.6992 102 2
16325 . 124.26799 65.000 71.592 1.0000 0.0000 1.53846E-02 0.7002 102 2
16326 . 124.27500 65.000 73.461 1.0000 0.0000 1.53846E-02 0.7002 102 2
16327 . 124.28199 78.000 75.650 1.0000 0.0000 1.28205E-02 0.7002 102 2
16328 . 124.28900 68.000 78.143 1.0000 0.0000 1.47059E-02 0.7002 102 2
16329 . 124.29601 70.000 80.862 1.0000 0.0000 1.42857E-02 0.6992 102 2
16330 . 124.30299 76.000 83.689 1.0000 0.0000 1.31579E-02 0.7002 102 2
16331 . 124.31000 78.000 86.475 1.0000 0.0000 1.28205E-02 0.7002 102 2
16332 . 124.31699 61.000 88.974 1.0000 0.0000 1.63934E-02 0.7002 102 2
16333 . 124.32401 63.000 90.930 1.0000 0.0000 1.58730E-02 0.7002 102 2
16334 .1 124.33101 74.000 92.073 1.0000 0.0000 1.35135E-02 0.6992 102 2
16335 . 124.33799 72.000 92.246 1.0000 0.0000 1.38889E-02 0.7002 102 2
16336 . 124.34500 71.000 91.456 1.0000 0.0000 1.40845E-02 0.7002 102 2
16337 . 124.35199 65.000 89.902 1.0000 0.0000 1.53846E-02 0.7002 102 3
16338 . 124.35900 64.000 87.796 1.0000 0.0000 1.56250E-02 0.7002 102 3
16339 . 124.36600 73.000 85.437 1.0000 0.0000 1.36986E-02 0.6992 102 3
16340 . 124.37299 55.000 83.046 1.0000 0.0000 1.81818E-02 0.7002 102 3
16341 . 124.38000 92.000 80.758 1.0000 0.0000 1.08696E-02 0.7002 102 3
16342 . 124.38699 80.000 78.678 1.0000 0.0000 1.25000E-02 0.7002 102 3
16343 . 124.39400 69.000 76.828 1.0000 0.0000 1.44928E-02 0.7002 102 3
16344 . 124.40101 61.000 75.208 1.0000 0.0000 1.63934E-02 0.6992 102 3
16345 .1 124.40799 79.000 73.788 1.0000 0.0000 1.26582E-02 0.7002 102 3
16346 . 124.41500 61.000 72.524 1.0000 0.0000 1.63934E-02 0.7002 102 3
16347 . 124.42199 61.000 71.399 1.0000 0.0000 1.63934E-02 0.7002 102 3
16348 . 124.42900 62.000 70.396 1.0000 0.0000 1.61290E-02 0.7002 102 3
16349 . 124.43600 64.000 69.512 1.0000 0.0000 1.56250E-02 0.6992 102 3
16350 . 124.44299 63.000 68.742 1.0000 0.0000 1.58730E-02 0.7002 102 3
16351 . 124.45000 67.000 68.075 1.0000 0.0000 1.49254E-02 0.7002 102 3
16352 . 124.45699 67.000 67.507 1.0000 0.0000 1.49254E-02 0.7002 102 3
16353 . 124.46400 63.000 67.026 1.0000 0.0000 1.58730E-02 0.7002 102 3
16354 . 124.47101 59.000 66.626 1.0000 0.0000 1.69492E-02 0.6992 102 3
16355 . 124.47799 70.000 66.297 1.0000 0.0000 1.42857E-02 0.7002 102 3
16356 . 124.48500 69.000 66.029 1.0000 0.0000 1.44928E-02 0.7002 102 3
16357 . 124.49199 65.000 65.815 1.0000 0.0000 1.53846E-02 0.7002 102 3
16358 . 124.49900 65.000 65.643 1.0000 0.0000 1.53846E-02 0.7002 102 3
16359 . 124.50600 69.000 65.508 1.0000 0.0000 1.44928E-02 0.6992 102 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 289
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16360 . 124.51299 63.000 65.402 1.0000 0.0000 1.58730E-02 0.7002 102 3
16361 . 124.52000 67.000 65.317 1.0000 0.0000 1.49254E-02 0.7002 102 3
16362 . 124.52699 66.000 65.251 1.0000 0.0000 1.51515E-02 0.7002 102 3
16363 . 124.53400 68.000 65.197 1.0000 0.0000 1.47059E-02 0.7002 102 3
16364 . 124.54101 61.000 65.155 1.0000 0.0000 1.63934E-02 0.6992 102 3
16365 . 124.54799 56.000 65.120 1.0000 0.0000 1.78571E-02 0.7002 102 3
16366 . 124.55500 72.000 65.093 1.0000 0.0000 1.38889E-02 0.7002 102 3
16367 . 124.56199 68.000 65.071 1.0000 0.0000 1.47059E-02 0.7002 102 3
16368 . 124.56900 66.000 65.066 1.0000 0.0000 1.51515E-02 0.7002 102 4
16369 . 124.57600 70.000 65.055 1.0000 0.0000 1.42857E-02 0.6992 102 4
16370 . 124.58298 82.000 65.049 1.0000 0.0000 1.21951E-02 0.7002 102 4
16371 . 124.59000 60.000 65.047 1.0000 0.0000 1.66667E-02 0.7002 102 4
16372 . 124.59699 61.000 65.051 1.0000 0.0000 1.63934E-02 0.7002 102 4
16373 . 124.60400 71.000 65.062 1.0000 0.0000 1.40845E-02 0.7002 102 4
16374 . 124.61101 64.000 65.081 1.0000 0.0000 1.56250E-02 0.6992 102 4
16375 . 124.61799 69.000 65.111 1.0000 0.0000 1.44928E-02 0.7002 102 4
16376 . 124.62500 67.000 65.155 1.0000 0.0000 1.49254E-02 0.7002 102 4
16377 . 124.63199 71.000 65.216 1.0000 0.0000 1.40845E-02 0.7002 102 4
16378 . 124.63901 64.000 65.301 1.0000 0.0000 1.56250E-02 0.7002 102 4
16379 . 124.64600 58.000 65.414 1.0000 0.0000 1.72414E-02 0.6992 102 4
16380 . 124.65298 62.000 65.560 1.0000 0.0000 1.61290E-02 0.7002 102 4
16381 . 124.66000 65.000 65.746 1.0000 0.0000 1.53846E-02 0.7002 102 4
16382 . 124.66699 56.000 65.975 1.0000 0.0000 1.78571E-02 0.7002 102 4
16383 . 124.67400 60.000 66.248 1.0000 0.0000 1.66667E-02 0.7002 102 4
16384 . 124.68101 62.000 66.562 1.0000 0.0000 1.61290E-02 0.6992 102 4
16385 . 124.68799 51.000 66.909 1.0000 0.0000 1.96078E-02 0.7002 102 4
16386 . 124.69500 64.000 67.278 1.0000 0.0000 1.56250E-02 0.7002 102 4
16387 . 124.70200 80.000 67.648 1.0000 0.0000 1.25000E-02 0.7002 102 4
16388 . 124.70901 76.000 67.993 1.0000 0.0000 1.31579E-02 0.7002 102 4
16389 . 124.71600 81.000 68.112 1.0000 0.0000 1.23457E-02 0.6992 103 3
16390 .1 124.72299 71.000 68.303 1.0000 0.0000 1.40845E-02 0.7002 103 3
16391 . 124.73000 73.000 68.369 1.0000 0.0000 1.36986E-02 0.7002 103 3
16392 . 124.73699 69.000 68.298 1.0000 0.0000 1.44928E-02 0.7002 103 3
16393 . 124.74400 66.000 68.105 1.0000 0.0000 1.51515E-02 0.7002 103 3
16394 . 124.75101 67.000 67.822 1.0000 0.0000 1.49254E-02 0.6992 103 3
16395 . 124.75799 63.000 67.486 1.0000 0.0000 1.58730E-02 0.7002 103 3
16396 . 124.76500 55.000 67.129 1.0000 0.0000 1.81818E-02 0.7002 103 3
16397 . 124.77200 63.000 66.779 1.0000 0.0000 1.58730E-02 0.7002 103 3
16398 . 124.77901 67.000 66.452 1.0000 0.0000 1.49254E-02 0.7002 103 3
16399 . 124.78600 57.000 66.139 1.0000 0.0000 1.75439E-02 0.6992 104 2
16400 . 124.79299 58.000 65.892 1.0000 0.0000 1.72414E-02 0.7002 104 2
16401 . 124.80000 66.000 65.688 1.0000 0.0000 1.51515E-02 0.7002 104 2
16402 . 124.80699 76.000 65.526 1.0000 0.0000 1.31579E-02 0.7002 104 2
16403 . 124.81400 71.000 65.404 1.0000 0.0000 1.40845E-02 0.7002 104 2
16404 . 124.82101 61.000 65.315 1.0000 0.0000 1.63934E-02 0.6992 104 2
16405 . 124.82799 66.000 65.257 1.0000 0.0000 1.51515E-02 0.7002 104 2
16406 . 124.83500 66.000 65.223 1.0000 0.0000 1.51515E-02 0.7002 104 2
16407 . 124.84200 60.000 65.210 1.0000 0.0000 1.66667E-02 0.7002 104 2
16408 . 124.84901 59.000 65.218 1.0000 0.0000 1.69492E-02 0.7002 104 2
16409 . 124.85600 75.000 65.245 1.0000 0.0000 1.33333E-02 0.6992 104 2
16410 . 124.86299 70.000 65.291 1.0000 0.0000 1.42857E-02 0.7002 104 2
16411 . 124.87000 60.000 65.358 1.0000 0.0000 1.66667E-02 0.7002 104 2
16412 . 124.87699 66.000 65.447 1.0000 0.0000 1.51515E-02 0.7002 104 2
16413 . 124.88400 63.000 65.559 1.0000 0.0000 1.58730E-02 0.7002 104 2
16414 . 124.89101 60.000 65.706 1.0000 0.0000 1.66667E-02 0.6992 104 3
16415 . 124.89799 71.000 65.863 1.0000 0.0000 1.40845E-02 0.7002 104 3
16416 . 124.90500 69.000 66.038 1.0000 0.0000 1.44928E-02 0.7002 104 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 290
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16417 . 124.91199 52.000 66.225 1.0000 0.0000 1.92308E-02 0.7002 104 3
16418 . 124.91901 58.000 66.413 1.0000 0.0000 1.72414E-02 0.7002 104 3
16419 . 124.92600 71.000 66.590 1.0000 0.0000 1.40845E-02 0.6992 104 3
16420 . 124.93299 78.000 66.737 1.0000 0.0000 1.28205E-02 0.7002 104 3
16421 .1 124.94000 68.000 66.837 1.0000 0.0000 1.47059E-02 0.7002 104 3
16422 . 124.94699 67.000 66.875 1.0000 0.0000 1.49254E-02 0.7002 104 3
16423 . 124.95400 55.000 66.845 1.0000 0.0000 1.81818E-02 0.7002 104 3
16424 . 124.96101 60.000 66.755 1.0000 0.0000 1.66667E-02 0.6992 104 3
16425 . 124.96799 60.000 66.618 1.0000 0.0000 1.66667E-02 0.7002 104 3
16426 . 124.97500 63.000 66.454 1.0000 0.0000 1.58730E-02 0.7002 104 3
16427 . 124.98199 63.000 66.278 1.0000 0.0000 1.58730E-02 0.7002 104 3
16428 . 124.98901 69.000 66.105 1.0000 0.0000 1.44928E-02 0.7002 104 3
16429 . 124.99600 71.000 65.942 1.0000 0.0000 1.40845E-02 0.6992 104 3
16430 . 125.00299 69.000 65.798 1.0000 0.0000 1.44928E-02 0.7002 104 3
16431 . 125.01000 64.000 65.674 1.0000 0.0000 1.56250E-02 0.7002 104 3
16432 . 125.01699 65.000 65.572 1.0000 0.0000 1.53846E-02 0.7002 104 3
16433 . 125.02400 67.000 65.491 1.0000 0.0000 1.49254E-02 0.7002 104 3
16434 . 125.03101 74.000 65.428 1.0000 0.0000 1.35135E-02 0.6992 104 3
16435 . 125.03799 66.000 65.382 1.0000 0.0000 1.51515E-02 0.7002 104 3
16436 . 125.04500 67.000 65.350 1.0000 0.0000 1.49254E-02 0.7002 104 3
16437 . 125.05199 61.000 65.328 1.0000 0.0000 1.63934E-02 0.7002 104 3
16438 . 125.05901 60.000 65.315 1.0000 0.0000 1.66667E-02 0.7002 104 3
16439 . 125.06601 50.000 65.308 1.0000 0.0000 2.00000E-02 0.6992 104 3
16440 . 125.07299 58.000 65.306 1.0000 0.0000 1.72414E-02 0.7002 104 3
16441 . 125.08000 64.000 65.307 1.0000 0.0000 1.56250E-02 0.7002 104 3
16442 . 125.08699 60.000 65.310 1.0000 0.0000 1.66667E-02 0.7002 104 3
16443 . 125.09400 66.000 65.316 1.0000 0.0000 1.51515E-02 0.7002 104 3
16444 . 125.10101 61.000 65.323 1.0000 0.0000 1.63934E-02 0.6992 104 3
16445 . 125.10799 67.000 65.309 1.0000 0.0000 1.49254E-02 0.7002 105 2
16446 . 125.11500 62.000 65.320 1.0000 0.0000 1.61290E-02 0.7002 105 2
16447 . 125.12199 64.000 65.333 1.0000 0.0000 1.56250E-02 0.7002 105 2
16448 . 125.12901 68.000 65.347 1.0000 0.0000 1.47059E-02 0.7002 105 2
16449 . 125.13601 59.000 65.363 1.0000 0.0000 1.69492E-02 0.6992 105 2
16450 . 125.14299 59.000 65.381 1.0000 0.0000 1.69492E-02 0.7002 105 2
16451 . 125.15000 61.000 65.402 1.0000 0.0000 1.63934E-02 0.7002 105 2
16452 . 125.15699 63.000 65.427 1.0000 0.0000 1.58730E-02 0.7002 105 2
16453 . 125.16400 64.000 65.459 1.0000 0.0000 1.56250E-02 0.7002 105 2
16454 . 125.17101 71.000 65.498 1.0000 0.0000 1.40845E-02 0.6992 105 2
16455 . 125.17799 75.000 65.546 1.0000 0.0000 1.33333E-02 0.7002 105 2
16456 . 125.18500 68.000 65.607 1.0000 0.0000 1.47059E-02 0.7002 105 2
16457 . 125.19199 60.000 65.684 1.0000 0.0000 1.66667E-02 0.7002 105 2
16458 . 125.19901 59.000 65.779 1.0000 0.0000 1.69492E-02 0.7002 105 2
16459 . 125.20601 65.000 65.894 1.0000 0.0000 1.53846E-02 0.6992 105 2
16460 . 125.21299 73.000 66.029 1.0000 0.0000 1.36986E-02 0.7002 105 2
16461 . 125.22000 76.000 66.186 1.0000 0.0000 1.31579E-02 0.7002 105 2
16462 . 125.22699 58.000 66.361 1.0000 0.0000 1.72414E-02 0.7002 105 2
16463 . 125.23400 66.000 66.550 1.0000 0.0000 1.51515E-02 0.7002 105 2
16464 . 125.24100 69.000 66.744 1.0000 0.0000 1.44928E-02 0.6992 105 2
16465 . 125.24799 62.000 66.930 1.0000 0.0000 1.61290E-02 0.7002 105 2
16466 . 125.25500 73.000 67.095 1.0000 0.0000 1.36986E-02 0.7002 105 2
16467 . 125.26199 54.000 67.219 1.0000 0.0000 1.85185E-02 0.7002 105 2
16468 .1 125.26900 62.000 67.287 1.0000 0.0000 1.61290E-02 0.7002 105 2
16469 . 125.27601 54.000 67.288 1.0000 0.0000 1.85185E-02 0.6992 105 2
16470 . 125.28299 60.000 67.225 1.0000 0.0000 1.66667E-02 0.7002 105 2
16471 . 125.29000 65.000 67.108 1.0000 0.0000 1.53846E-02 0.7002 105 2
16472 . 125.29699 70.000 66.956 1.0000 0.0000 1.42857E-02 0.7002 105 2
16473 . 125.30400 75.000 66.786 1.0000 0.0000 1.33333E-02 0.7002 105 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 291
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16474 . 125.31100 62.000 66.612 1.0000 0.0000 1.61290E-02 0.6992 105 2
16475 . 125.31799 69.000 66.447 1.0000 0.0000 1.44928E-02 0.7002 105 2
16476 . 125.32500 70.000 66.284 1.0000 0.0000 1.42857E-02 0.7002 106 1
16477 . 125.33199 70.000 66.152 1.0000 0.0000 1.42857E-02 0.7002 106 1
16478 . 125.33900 65.000 66.041 1.0000 0.0000 1.53846E-02 0.7002 106 1
16479 . 125.34601 74.000 65.952 1.0000 0.0000 1.35135E-02 0.6992 106 1
16480 . 125.35299 76.000 65.882 1.0000 0.0000 1.31579E-02 0.7002 106 1
16481 . 125.36000 72.000 65.829 1.0000 0.0000 1.38889E-02 0.7002 106 1
16482 . 125.36699 64.000 65.791 1.0000 0.0000 1.56250E-02 0.7002 106 1
16483 . 125.37400 57.000 65.764 1.0000 0.0000 1.75439E-02 0.7002 106 1
16484 . 125.38100 65.000 65.746 1.0000 0.0000 1.53846E-02 0.6992 106 1
16485 . 125.38799 61.000 65.736 1.0000 0.0000 1.63934E-02 0.7002 106 1
16486 . 125.39500 50.000 65.730 1.0000 0.0000 2.00000E-02 0.7002 106 1
16487 . 125.40199 64.000 65.728 1.0000 0.0000 1.56250E-02 0.7002 106 1
16488 . 125.40900 72.000 65.729 1.0000 0.0000 1.38889E-02 0.7002 106 1
16489 . 125.41601 72.000 65.731 1.0000 0.0000 1.38889E-02 0.6992 106 1
16490 . 125.42299 76.000 65.735 1.0000 0.0000 1.31579E-02 0.7002 106 1
16491 . 125.43000 78.000 65.740 1.0000 0.0000 1.28205E-02 0.7002 106 1
16492 . 125.43699 70.000 65.746 1.0000 0.0000 1.42857E-02 0.7002 106 1
16493 . 125.44400 54.000 65.752 1.0000 0.0000 1.85185E-02 0.7002 106 1
16494 . 125.45100 70.000 65.759 1.0000 0.0000 1.42857E-02 0.6992 106 1
16495 . 125.45798 69.000 65.766 1.0000 0.0000 1.44928E-02 0.7002 106 1
16496 . 125.46500 69.000 65.774 1.0000 0.0000 1.44928E-02 0.7002 106 1
16497 . 125.47199 66.000 65.782 1.0000 0.0000 1.51515E-02 0.7002 106 1
16498 . 125.47900 74.000 65.790 1.0000 0.0000 1.35135E-02 0.7002 106 1
16499 . 125.48601 68.000 65.798 1.0000 0.0000 1.47059E-02 0.6992 106 1
16500 . 125.49299 73.000 65.807 1.0000 0.0000 1.36986E-02 0.7002 106 1
16501 . 125.50000 72.000 65.816 1.0000 0.0000 1.38889E-02 0.7002 106 1
16502 . 125.50699 71.000 65.825 1.0000 0.0000 1.40845E-02 0.7002 106 1
16503 . 125.51401 69.000 65.834 1.0000 0.0000 1.44928E-02 0.7002 106 1
16504 . 125.52100 65.000 65.843 1.0000 0.0000 1.53846E-02 0.6992 106 1
16505 . 125.52798 67.000 65.852 1.0000 0.0000 1.49254E-02 0.7002 106 1
16506 . 125.53500 66.000 65.862 1.0000 0.0000 1.51515E-02 0.7002 106 1
16507 . 125.54199 59.000 65.871 1.0000 0.0000 1.69492E-02 0.7002 106 1
16508 . 125.54900 62.000 65.881 1.0000 0.0000 1.61290E-02 0.7002 106 1
16509 . 125.55601 68.000 65.890 1.0000 0.0000 1.47059E-02 0.6992 106 1
16510 . 125.56299 82.000 65.900 1.0000 0.0000 1.21951E-02 0.7002 106 1
16511 . 125.57000 60.000 65.910 1.0000 0.0000 1.66667E-02 0.7002 106 1
16512 . 125.57700 67.000 65.920 1.0000 0.0000 1.49254E-02 0.7002 106 1
16513 . 125.58401 72.000 65.930 1.0000 0.0000 1.38889E-02 0.7002 106 1
16514 . 125.59100 65.000 65.940 1.0000 0.0000 1.53846E-02 0.6992 106 1
16515 . 125.59799 81.000 65.950 1.0000 0.0000 1.23457E-02 0.7002 106 1
16516 . 125.60500 78.000 65.960 1.0000 0.0000 1.28205E-02 0.7002 106 1
16517 . 125.61199 73.000 65.970 1.0000 0.0000 1.36986E-02 0.7002 106 1
16518 . 125.61900 65.000 65.980 1.0000 0.0000 1.53846E-02 0.7002 106 1
16519 . 125.62601 63.000 65.990 1.0000 0.0000 1.58730E-02 0.6992 106 1
16520 . 125.63299 73.000 66.001 1.0000 0.0000 1.36986E-02 0.7002 106 1
16521 . 125.64000 72.000 66.011 1.0000 0.0000 1.38889E-02 0.7002 106 1
16522 . 125.64700 86.000 66.021 1.0000 0.0000 1.16279E-02 0.7002 106 1
16523 B 125.65401 55.000 66.020 1.0000 0.0000 1.81818E-02 0.7002 0 1
16524 B 125.66100 57.000 66.031 1.0000 0.0000 1.75439E-02 0.6992 0 1
16525 B 125.66799 62.000 66.042 1.0000 0.0000 1.61290E-02 0.7002 0 1
16526 B 125.67500 60.000 66.052 1.0000 0.0000 1.66667E-02 0.7002 0 1
16527 B 125.68199 76.000 66.063 1.0000 0.0000 1.31579E-02 0.7002 0 1
16528 B 125.68900 69.000 66.074 1.0000 0.0000 1.44928E-02 0.7002 0 1
16529 B 125.69601 66.000 66.085 1.0000 0.0000 1.51515E-02 0.6992 0 1
16530 B 125.70299 72.000 66.095 1.0000 0.0000 1.38889E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 292
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16531 B 125.71000 71.000 66.106 1.0000 0.0000 1.40845E-02 0.7002 0 1
16532 B 125.71700 66.000 66.117 1.0000 0.0000 1.51515E-02 0.7002 0 1
16533 B 125.72401 61.000 66.128 1.0000 0.0000 1.63934E-02 0.7002 0 1
16534 B 125.73100 59.000 66.139 1.0000 0.0000 1.69492E-02 0.6992 0 1
16535 B 125.73799 69.000 66.149 1.0000 0.0000 1.44928E-02 0.7002 0 1
16536 B 125.74500 74.000 66.160 1.0000 0.0000 1.35135E-02 0.7002 0 1
16537 B 125.75199 65.000 66.171 1.0000 0.0000 1.53846E-02 0.7002 0 1
16538 B 125.75900 68.000 66.182 1.0000 0.0000 1.47059E-02 0.7002 0 1
16539 B 125.76601 59.000 66.193 1.0000 0.0000 1.69492E-02 0.6992 0 1
16540 B 125.77299 60.000 66.203 1.0000 0.0000 1.66667E-02 0.7002 0 1
16541 B 125.78000 73.000 66.214 1.0000 0.0000 1.36986E-02 0.7002 0 1
16542 B 125.78699 80.000 66.225 1.0000 0.0000 1.25000E-02 0.7002 0 1
16543 B 125.79401 68.000 66.236 1.0000 0.0000 1.47059E-02 0.7002 0 1
16544 B 125.80100 61.000 66.247 1.0000 0.0000 1.63934E-02 0.6992 0 1
16545 B 125.80799 58.000 66.257 1.0000 0.0000 1.72414E-02 0.7002 0 1
16546 B 125.81500 65.000 66.268 1.0000 0.0000 1.53846E-02 0.7002 0 1
16547 B 125.82199 58.000 66.279 1.0000 0.0000 1.72414E-02 0.7002 0 1
16548 B 125.82900 60.000 66.290 1.0000 0.0000 1.66667E-02 0.7002 0 1
16549 B 125.83601 68.000 66.301 1.0000 0.0000 1.47059E-02 0.6992 0 1
16550 B 125.84299 59.000 66.311 1.0000 0.0000 1.69492E-02 0.7002 0 1
16551 B 125.85000 61.000 66.322 1.0000 0.0000 1.63934E-02 0.7002 0 1
16552 B 125.85699 59.000 66.333 1.0000 0.0000 1.69492E-02 0.7002 0 1
16553 B 125.86401 69.000 66.344 1.0000 0.0000 1.44928E-02 0.7002 0 1
16554 B 125.87100 59.000 66.355 1.0000 0.0000 1.69492E-02 0.6992 0 1
16555 B 125.87799 69.000 66.366 1.0000 0.0000 1.44928E-02 0.7002 0 1
16556 B 125.88500 57.000 66.377 1.0000 0.0000 1.75439E-02 0.7002 0 1
16557 B 125.89199 70.000 66.387 1.0000 0.0000 1.42857E-02 0.7002 0 1
16558 B 125.89900 63.000 66.398 1.0000 0.0000 1.58730E-02 0.7002 0 1
16559 B 125.90601 65.000 66.409 1.0000 0.0000 1.53846E-02 0.6992 0 1
16560 B 125.91299 71.000 66.420 1.0000 0.0000 1.40845E-02 0.7002 0 1
16561 B 125.92000 70.000 66.431 1.0000 0.0000 1.42857E-02 0.7002 0 1
16562 B 125.92699 71.000 66.442 1.0000 0.0000 1.40845E-02 0.7002 0 1
16563 B 125.93401 71.000 66.453 1.0000 0.0000 1.40845E-02 0.7002 0 1
16564 B 125.94101 69.000 66.463 1.0000 0.0000 1.44928E-02 0.6992 0 1
16565 B 125.94799 71.000 66.474 1.0000 0.0000 1.40845E-02 0.7002 0 1
16566 B 125.95500 69.000 66.485 1.0000 0.0000 1.44928E-02 0.7002 0 1
16567 B 125.96199 77.000 66.496 1.0000 0.0000 1.29870E-02 0.7002 0 1
16568 B 125.96900 75.000 66.507 1.0000 0.0000 1.33333E-02 0.7002 0 1
16569 B 125.97601 55.000 66.518 1.0000 0.0000 1.81818E-02 0.6992 0 1
16570 B 125.98299 60.000 66.529 1.0000 0.0000 1.66667E-02 0.7002 0 1
16571 B 125.99000 75.000 66.540 1.0000 0.0000 1.33333E-02 0.7002 0 1
16572 B 125.99699 59.000 66.550 1.0000 0.0000 1.69492E-02 0.7002 0 1
16573 B 126.00401 64.000 66.561 1.0000 0.0000 1.56250E-02 0.7002 0 1
16574 B 126.01101 62.000 66.572 1.0000 0.0000 1.61290E-02 0.6992 0 1
16575 B 126.01799 71.000 66.583 1.0000 0.0000 1.40845E-02 0.7002 0 1
16576 B 126.02500 79.000 66.594 1.0000 0.0000 1.26582E-02 0.7002 0 1
16577 B 126.03199 80.000 66.605 1.0000 0.0000 1.25000E-02 0.7002 0 1
16578 B 126.03900 67.000 66.616 1.0000 0.0000 1.49254E-02 0.7002 0 1
16579 B 126.04601 59.000 66.627 1.0000 0.0000 1.69492E-02 0.6992 0 1
16580 B 126.05299 67.000 66.638 1.0000 0.0000 1.49254E-02 0.7002 0 1
16581 B 126.06000 65.000 66.649 1.0000 0.0000 1.53846E-02 0.7002 0 1
16582 B 126.06699 65.000 66.660 1.0000 0.0000 1.53846E-02 0.7002 0 1
16583 B 126.07401 65.000 66.671 1.0000 0.0000 1.53846E-02 0.7002 0 1
16584 B 126.08101 66.000 66.682 1.0000 0.0000 1.51515E-02 0.6992 0 1
16585 B 126.08799 62.000 66.692 1.0000 0.0000 1.61290E-02 0.7002 0 1
16586 B 126.09500 70.000 66.703 1.0000 0.0000 1.42857E-02 0.7002 0 1
16587 B 126.10199 74.000 66.714 1.0000 0.0000 1.35135E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 293
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16588 B 126.10900 82.000 66.725 1.0000 0.0000 1.21951E-02 0.7002 0 1
16589 B 126.11600 60.000 66.736 1.0000 0.0000 1.66667E-02 0.6992 0 1
16590 B 126.12299 60.000 66.747 1.0000 0.0000 1.66667E-02 0.7002 0 1
16591 B 126.13000 67.000 66.758 1.0000 0.0000 1.49254E-02 0.7002 0 1
16592 B 126.13699 62.000 66.769 1.0000 0.0000 1.61290E-02 0.7002 0 1
16593 B 126.14400 66.000 66.780 1.0000 0.0000 1.51515E-02 0.7002 0 1
16594 B 126.15101 63.000 66.791 1.0000 0.0000 1.58730E-02 0.6992 0 1
16595 B 126.15799 62.000 66.802 1.0000 0.0000 1.61290E-02 0.7002 0 1
16596 B 126.16500 75.000 66.813 1.0000 0.0000 1.33333E-02 0.7002 0 1
16597 B 126.17199 68.000 66.824 1.0000 0.0000 1.47059E-02 0.7002 0 1
16598 B 126.17900 70.000 66.835 1.0000 0.0000 1.42857E-02 0.7002 0 1
16599 B 126.18600 59.000 66.846 1.0000 0.0000 1.69492E-02 0.6992 0 1
16600 B 126.19299 70.000 66.857 1.0000 0.0000 1.42857E-02 0.7002 0 1
16601 B 126.20000 72.000 66.868 1.0000 0.0000 1.38889E-02 0.7002 0 1
16602 B 126.20699 69.000 66.879 1.0000 0.0000 1.44928E-02 0.7002 0 1
16603 B 126.21400 76.000 66.890 1.0000 0.0000 1.31579E-02 0.7002 0 1
16604 B 126.22101 70.000 66.901 1.0000 0.0000 1.42857E-02 0.6992 0 1
16605 B 126.22799 73.000 66.912 1.0000 0.0000 1.36986E-02 0.7002 0 1
16606 B 126.23500 70.000 66.923 1.0000 0.0000 1.42857E-02 0.7002 0 1
16607 B 126.24199 67.000 66.934 1.0000 0.0000 1.49254E-02 0.7002 0 1
16608 B 126.24900 70.000 66.945 1.0000 0.0000 1.42857E-02 0.7002 0 1
16609 B 126.25600 71.000 66.956 1.0000 0.0000 1.40845E-02 0.6992 0 1
16610 B 126.26299 65.000 66.967 1.0000 0.0000 1.53846E-02 0.7002 0 1
16611 B 126.27000 62.000 66.978 1.0000 0.0000 1.61290E-02 0.7002 0 1
16612 B 126.27699 55.000 66.989 1.0000 0.0000 1.81818E-02 0.7002 0 1
16613 B 126.28400 61.000 67.000 1.0000 0.0000 1.63934E-02 0.7002 0 1
16614 B 126.29101 63.000 67.011 1.0000 0.0000 1.58730E-02 0.6992 0 1
16615 B 126.29799 60.000 67.022 1.0000 0.0000 1.66667E-02 0.7002 0 1
16616 B 126.30500 71.000 67.033 1.0000 0.0000 1.40845E-02 0.7002 0 1
16617 B 126.31199 80.000 67.044 1.0000 0.0000 1.25000E-02 0.7002 0 1
16618 B 126.31900 51.000 67.055 1.0000 0.0000 1.96078E-02 0.7002 0 1
16619 B 126.32600 78.000 67.066 1.0000 0.0000 1.28205E-02 0.6992 0 1
16620 B 126.33298 66.000 67.077 1.0000 0.0000 1.51515E-02 0.7002 0 1
16621 B 126.34000 68.000 67.088 1.0000 0.0000 1.47059E-02 0.7002 0 1
16622 B 126.34699 65.000 67.099 1.0000 0.0000 1.53846E-02 0.7002 0 1
16623 B 126.35400 65.000 67.110 1.0000 0.0000 1.53846E-02 0.7002 0 1
16624 B 126.36101 68.000 67.121 1.0000 0.0000 1.47059E-02 0.6992 0 1
16625 B 126.36799 72.000 67.132 1.0000 0.0000 1.38889E-02 0.7002 0 1
16626 B 126.37500 71.000 67.143 1.0000 0.0000 1.40845E-02 0.7002 0 1
16627 B 126.38199 69.000 67.155 1.0000 0.0000 1.44928E-02 0.7002 0 1
16628 B 126.38901 59.000 67.166 1.0000 0.0000 1.69492E-02 0.7002 0 1
16629 B 126.39600 64.000 67.177 1.0000 0.0000 1.56250E-02 0.6992 0 1
16630 B 126.40298 75.000 67.188 1.0000 0.0000 1.33333E-02 0.7002 0 1
16631 B 126.41000 66.000 67.199 1.0000 0.0000 1.51515E-02 0.7002 0 1
16632 B 126.41699 58.000 67.210 1.0000 0.0000 1.72414E-02 0.7002 0 1
16633 B 126.42400 76.000 67.221 1.0000 0.0000 1.31579E-02 0.7002 0 1
16634 B 126.43101 63.000 67.232 1.0000 0.0000 1.58730E-02 0.6992 0 1
16635 B 126.43799 69.000 67.243 1.0000 0.0000 1.44928E-02 0.7002 0 1
16636 B 126.44500 84.000 67.254 1.0000 0.0000 1.19048E-02 0.7002 0 1
16637 B 126.45200 72.000 67.265 1.0000 0.0000 1.38889E-02 0.7002 0 1
16638 B 126.45901 63.000 67.276 1.0000 0.0000 1.58730E-02 0.7002 0 1
16639 B 126.46600 67.000 67.288 1.0000 0.0000 1.49254E-02 0.6992 0 1
16640 B 126.47299 67.000 67.299 1.0000 0.0000 1.49254E-02 0.7002 0 1
16641 B 126.48000 57.000 67.310 1.0000 0.0000 1.75439E-02 0.7002 0 1
16642 B 126.48699 61.000 67.321 1.0000 0.0000 1.63934E-02 0.7002 0 1
16643 B 126.49400 72.000 67.332 1.0000 0.0000 1.38889E-02 0.7002 0 1
16644 B 126.50101 69.000 67.343 1.0000 0.0000 1.44928E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 294
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16645 B 126.50799 58.000 67.354 1.0000 0.0000 1.72414E-02 0.7002 0 1
16646 B 126.51500 62.000 67.365 1.0000 0.0000 1.61290E-02 0.7002 0 1
16647 B 126.52200 68.000 67.376 1.0000 0.0000 1.47059E-02 0.7002 0 1
16648 B 126.52901 78.000 67.388 1.0000 0.0000 1.28205E-02 0.7002 0 1
16649 B 126.53600 69.000 67.399 1.0000 0.0000 1.44928E-02 0.6992 0 1
16650 B 126.54299 84.000 67.410 1.0000 0.0000 1.19048E-02 0.7002 0 1
16651 B 126.55000 66.000 67.421 1.0000 0.0000 1.51515E-02 0.7002 0 1
16652 B 126.55699 60.000 67.432 1.0000 0.0000 1.66667E-02 0.7002 0 1
16653 B 126.56400 60.000 67.443 1.0000 0.0000 1.66667E-02 0.7002 0 1
16654 B 126.57101 68.000 67.454 1.0000 0.0000 1.47059E-02 0.6992 0 1
16655 B 126.57799 75.000 67.466 1.0000 0.0000 1.33333E-02 0.7002 0 1
16656 B 126.58500 66.000 67.477 1.0000 0.0000 1.51515E-02 0.7002 0 1
16657 B 126.59200 58.000 67.488 1.0000 0.0000 1.72414E-02 0.7002 0 1
16658 B 126.59901 61.000 67.499 1.0000 0.0000 1.63934E-02 0.7002 0 1
16659 B 126.60600 61.000 67.510 1.0000 0.0000 1.63934E-02 0.6992 0 1
16660 B 126.61299 74.000 67.521 1.0000 0.0000 1.35135E-02 0.7002 0 1
16661 B 126.62000 72.000 67.533 1.0000 0.0000 1.38889E-02 0.7002 0 1
16662 B 126.62699 70.000 67.544 1.0000 0.0000 1.42857E-02 0.7002 0 1
16663 B 126.63400 65.000 67.555 1.0000 0.0000 1.53846E-02 0.7002 0 1
16664 B 126.64101 58.000 67.566 1.0000 0.0000 1.72414E-02 0.6992 0 1
16665 B 126.64799 65.000 67.577 1.0000 0.0000 1.53846E-02 0.7002 0 1
16666 B 126.65500 64.000 67.588 1.0000 0.0000 1.56250E-02 0.7002 0 1
16667 B 126.66199 76.000 67.600 1.0000 0.0000 1.31579E-02 0.7002 0 1
16668 B 126.66901 66.000 67.611 1.0000 0.0000 1.51515E-02 0.7002 0 1
16669 B 126.67600 68.000 67.622 1.0000 0.0000 1.47059E-02 0.6992 0 1
16670 B 126.68299 65.000 67.633 1.0000 0.0000 1.53846E-02 0.7002 0 1
16671 B 126.69000 62.000 67.644 1.0000 0.0000 1.61290E-02 0.7002 0 1
16672 B 126.69699 59.000 67.656 1.0000 0.0000 1.69492E-02 0.7002 0 1
16673 B 126.70400 63.000 67.667 1.0000 0.0000 1.58730E-02 0.7002 0 1
16674 B 126.71101 68.000 67.678 1.0000 0.0000 1.47059E-02 0.6992 0 1
16675 B 126.71799 53.000 67.689 1.0000 0.0000 1.88679E-02 0.7002 0 1
16676 B 126.72500 72.000 67.701 1.0000 0.0000 1.38889E-02 0.7002 0 1
16677 B 126.73199 56.000 67.712 1.0000 0.0000 1.78571E-02 0.7002 0 1
16678 B 126.73901 67.000 67.723 1.0000 0.0000 1.49254E-02 0.7002 0 1
16679 B 126.74600 72.000 67.734 1.0000 0.0000 1.38889E-02 0.6992 0 1
16680 B 126.75299 73.000 67.745 1.0000 0.0000 1.36986E-02 0.7002 0 1
16681 B 126.76000 77.000 67.757 1.0000 0.0000 1.29870E-02 0.7002 0 1
16682 B 126.76699 71.000 67.768 1.0000 0.0000 1.40845E-02 0.7002 0 1
16683 B 126.77400 79.000 67.779 1.0000 0.0000 1.26582E-02 0.7002 0 1
16684 B 126.78101 74.000 67.790 1.0000 0.0000 1.35135E-02 0.6992 0 1
16685 B 126.78799 67.000 67.802 1.0000 0.0000 1.49254E-02 0.7002 0 1
16686 B 126.79500 68.000 67.813 1.0000 0.0000 1.47059E-02 0.7002 0 1
16687 B 126.80199 65.000 67.824 1.0000 0.0000 1.53846E-02 0.7002 0 1
16688 B 126.80901 64.000 67.835 1.0000 0.0000 1.56250E-02 0.7002 0 1
16689 B 126.81601 67.000 67.847 1.0000 0.0000 1.49254E-02 0.6992 0 1
16690 B 126.82299 68.000 67.858 1.0000 0.0000 1.47059E-02 0.7002 0 1
16691 B 126.83000 70.000 67.869 1.0000 0.0000 1.42857E-02 0.7002 0 1
16692 B 126.83699 56.000 67.880 1.0000 0.0000 1.78571E-02 0.7002 0 1
16693 B 126.84400 51.000 67.892 1.0000 0.0000 1.96078E-02 0.7002 0 1
16694 B 126.85101 64.000 67.903 1.0000 0.0000 1.56250E-02 0.6992 0 1
16695 B 126.85799 81.000 67.914 1.0000 0.0000 1.23457E-02 0.7002 0 1
16696 B 126.86500 69.000 67.925 1.0000 0.0000 1.44928E-02 0.7002 0 1
16697 B 126.87199 60.000 67.937 1.0000 0.0000 1.66667E-02 0.7002 0 1
16698 B 126.87901 67.000 67.948 1.0000 0.0000 1.49254E-02 0.7002 0 1
16699 B 126.88601 54.000 67.959 1.0000 0.0000 1.85185E-02 0.6992 0 1
16700 B 126.89299 75.000 67.971 1.0000 0.0000 1.33333E-02 0.7002 0 1
16701 B 126.90000 84.000 67.982 1.0000 0.0000 1.19048E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 295
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16702 B 126.90699 74.000 67.993 1.0000 0.0000 1.35135E-02 0.7002 0 1
16703 B 126.91400 66.000 68.005 1.0000 0.0000 1.51515E-02 0.7002 0 1
16704 B 126.92101 73.000 68.016 1.0000 0.0000 1.36986E-02 0.6992 0 1
16705 B 126.92799 71.000 68.027 1.0000 0.0000 1.40845E-02 0.7002 0 1
16706 B 126.93500 71.000 68.038 1.0000 0.0000 1.40845E-02 0.7002 0 1
16707 B 126.94199 58.000 68.050 1.0000 0.0000 1.72414E-02 0.7002 0 1
16708 B 126.94901 76.000 68.061 1.0000 0.0000 1.31579E-02 0.7002 0 1
16709 B 126.95601 60.000 68.072 1.0000 0.0000 1.66667E-02 0.6992 0 1
16710 B 126.96299 74.000 68.084 1.0000 0.0000 1.35135E-02 0.7002 0 1
16711 B 126.97000 58.000 68.095 1.0000 0.0000 1.72414E-02 0.7002 0 1
16712 B 126.97699 76.000 68.106 1.0000 0.0000 1.31579E-02 0.7002 0 1
16713 B 126.98400 66.000 68.118 1.0000 0.0000 1.51515E-02 0.7002 0 1
16714 . 126.99100 67.000 68.448 1.0000 0.0000 1.49254E-02 0.6992 107 1
16715 . 126.99799 73.000 68.472 1.0000 0.0000 1.36986E-02 0.7002 107 1
16716 . 127.00500 62.000 68.496 1.0000 0.0000 1.61290E-02 0.7002 107 1
16717 . 127.01199 78.000 68.520 1.0000 0.0000 1.28205E-02 0.7002 107 1
16718 . 127.01900 66.000 68.546 1.0000 0.0000 1.51515E-02 0.7002 107 1
16719 . 127.02601 56.000 68.572 1.0000 0.0000 1.78571E-02 0.6992 107 1
16720 . 127.03299 64.000 68.600 1.0000 0.0000 1.56250E-02 0.7002 107 1
16721 . 127.04000 80.000 68.628 1.0000 0.0000 1.25000E-02 0.7002 107 1
16722 . 127.04699 71.000 68.658 1.0000 0.0000 1.40845E-02 0.7002 107 1
16723 . 127.05400 70.000 68.688 1.0000 0.0000 1.42857E-02 0.7002 107 1
16724 . 127.06100 54.000 68.720 1.0000 0.0000 1.85185E-02 0.6992 107 1
16725 . 127.06799 64.000 68.754 1.0000 0.0000 1.56250E-02 0.7002 107 1
16726 . 127.07500 67.000 68.789 1.0000 0.0000 1.49254E-02 0.7002 107 1
16727 . 127.08199 83.000 68.825 1.0000 0.0000 1.20482E-02 0.7002 107 1
16728 . 127.08900 67.000 68.864 1.0000 0.0000 1.49254E-02 0.7002 107 1
16729 . 127.09601 68.000 68.904 1.0000 0.0000 1.47059E-02 0.6992 107 1
16730 . 127.10299 65.000 68.947 1.0000 0.0000 1.53846E-02 0.7002 107 1
16731 . 127.11000 69.000 68.992 1.0000 0.0000 1.44928E-02 0.7002 107 1
16732 . 127.11699 75.000 69.040 1.0000 0.0000 1.33333E-02 0.7002 107 1
16733 . 127.12400 64.000 69.091 1.0000 0.0000 1.56250E-02 0.7002 107 1
16734 . 127.13100 63.000 69.145 1.0000 0.0000 1.58730E-02 0.6992 107 1
16735 . 127.13799 71.000 69.203 1.0000 0.0000 1.40845E-02 0.7002 107 1
16736 . 127.14500 58.000 69.266 1.0000 0.0000 1.72414E-02 0.7002 107 1
16737 . 127.15199 61.000 69.333 1.0000 0.0000 1.63934E-02 0.7002 107 1
16738 . 127.15900 74.000 69.405 1.0000 0.0000 1.35135E-02 0.7002 107 1
16739 . 127.16601 73.000 69.484 1.0000 0.0000 1.36986E-02 0.6992 107 1
16740 . 127.17299 72.000 69.569 1.0000 0.0000 1.38889E-02 0.7002 107 1
16741 . 127.18000 64.000 69.662 1.0000 0.0000 1.56250E-02 0.7002 107 1
16742 . 127.18699 60.000 69.765 1.0000 0.0000 1.66667E-02 0.7002 107 1
16743 . 127.19400 60.000 69.878 1.0000 0.0000 1.66667E-02 0.7002 107 1
16744 . 127.20100 60.000 70.005 1.0000 0.0000 1.66667E-02 0.6992 107 1
16745 . 127.20798 68.000 70.148 1.0000 0.0000 1.47059E-02 0.7002 107 1
16746 . 127.21500 65.000 70.312 1.0000 0.0000 1.53846E-02 0.7002 107 1
16747 . 127.22199 57.000 70.504 1.0000 0.0000 1.75439E-02 0.7002 107 1
16748 . 127.22900 66.000 70.734 1.0000 0.0000 1.51515E-02 0.7002 107 1
16749 . 127.23601 65.000 71.015 1.0000 0.0000 1.53846E-02 0.6992 107 1
16750 . 127.24299 72.000 71.366 1.0000 0.0000 1.38889E-02 0.7002 107 1
16751 . 127.25000 70.000 71.817 1.0000 0.0000 1.42857E-02 0.7002 107 1
16752 . 127.25699 72.000 72.398 1.0000 0.0000 1.38889E-02 0.7002 107 1
16753 . 127.26401 62.000 73.160 1.0000 0.0000 1.61290E-02 0.7002 107 1
16754 . 127.27100 54.000 74.152 1.0000 0.0000 1.85185E-02 0.6992 107 1
16755 . 127.27798 71.000 75.432 1.0000 0.0000 1.40845E-02 0.7002 107 1
16756 . 127.28500 61.000 77.075 1.0000 0.0000 1.63934E-02 0.7002 107 1
16757 . 127.29199 68.000 79.131 1.0000 0.0000 1.47059E-02 0.7002 107 1
16758 . 127.29900 66.000 81.664 1.0000 0.0000 1.51515E-02 0.7002 107 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 296
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16759 . 127.30601 62.000 84.692 1.0000 0.0000 1.61290E-02 0.6992 107 1
16760 . 127.31299 70.000 88.206 1.0000 0.0000 1.42857E-02 0.7002 107 1
16761 . 127.32000 64.000 92.185 1.0000 0.0000 1.56250E-02 0.7002 107 1
16762 . 127.32700 62.000 96.503 1.0000 0.0000 1.61290E-02 0.7002 107 1
16763 . 127.33401 64.000 101.02 1.0000 0.0000 1.56250E-02 0.7002 107 1
16764 . 127.34100 63.000 105.46 1.0000 0.0000 1.58730E-02 0.6992 107 1
16765 . 127.34799 68.000 109.51 1.0000 0.0000 1.47059E-02 0.7002 107 1
16766 . 127.35500 80.000 112.78 1.0000 0.0000 1.25000E-02 0.7002 107 1
16767 .1 127.36199 67.000 114.84 1.0000 0.0000 1.49254E-02 0.7002 107 1
16768 . 127.36900 55.000 115.40 1.0000 0.0000 1.81818E-02 0.7002 107 1
16769 . 127.37601 67.000 114.36 1.0000 0.0000 1.49254E-02 0.6992 107 1
16770 . 127.38299 68.000 111.90 1.0000 0.0000 1.47059E-02 0.7002 107 1
16771 . 127.39000 68.000 108.36 1.0000 0.0000 1.47059E-02 0.7002 107 1
16772 . 127.39700 61.000 104.16 1.0000 0.0000 1.63934E-02 0.7002 107 1
16773 . 127.40401 69.000 99.683 1.0000 0.0000 1.44928E-02 0.7002 107 1
16774 . 127.41100 64.000 95.235 1.0000 0.0000 1.56250E-02 0.6992 107 1
16775 . 127.41799 69.000 91.042 1.0000 0.0000 1.44928E-02 0.7002 107 1
16776 . 127.42500 67.000 87.221 1.0000 0.0000 1.49254E-02 0.7002 107 1
16777 . 127.43199 75.000 83.880 1.0000 0.0000 1.33333E-02 0.7002 107 1
16778 . 127.43900 69.000 81.032 1.0000 0.0000 1.44928E-02 0.7002 107 1
16779 . 127.44601 57.000 78.681 1.0000 0.0000 1.75439E-02 0.6992 107 1
16780 . 127.45299 58.000 76.790 1.0000 0.0000 1.72414E-02 0.7002 107 1
16781 . 127.46000 67.000 75.291 1.0000 0.0000 1.49254E-02 0.7002 107 1
16782 . 127.46700 73.000 74.132 1.0000 0.0000 1.36986E-02 0.7002 107 1
16783 . 127.47401 79.000 73.242 1.0000 0.0000 1.26582E-02 0.7002 107 1
16784 . 127.48100 71.000 72.567 1.0000 0.0000 1.40845E-02 0.6992 107 1
16785 . 127.48799 63.000 72.056 1.0000 0.0000 1.58730E-02 0.7002 107 1
16786 . 127.49500 49.000 71.663 1.0000 0.0000 2.04082E-02 0.7002 107 1
16787 . 127.50199 70.000 71.360 1.0000 0.0000 1.42857E-02 0.7002 107 1
16788 . 127.50900 54.000 71.119 1.0000 0.0000 1.85185E-02 0.7002 107 1
16789 . 127.51601 49.000 70.926 1.0000 0.0000 2.04082E-02 0.6992 107 1
16790 . 127.52299 58.000 70.767 1.0000 0.0000 1.72414E-02 0.7002 107 1
16791 . 127.53000 71.000 70.633 1.0000 0.0000 1.40845E-02 0.7002 107 1
16792 . 127.53699 71.000 70.519 1.0000 0.0000 1.40845E-02 0.7002 107 1
16793 . 127.54401 64.000 70.419 1.0000 0.0000 1.56250E-02 0.7002 107 1
16794 . 127.55100 67.000 70.332 1.0000 0.0000 1.49254E-02 0.6992 107 1
16795 . 127.55799 63.000 70.256 1.0000 0.0000 1.58730E-02 0.7002 107 1
16796 . 127.56500 61.000 70.352 1.0000 0.0000 1.63934E-02 0.7002 107 2
16797 . 127.57199 74.000 70.298 1.0000 0.0000 1.35135E-02 0.7002 107 2
16798 . 127.57900 72.000 70.251 1.0000 0.0000 1.38889E-02 0.7002 107 2
16799 . 127.58601 62.000 70.210 1.0000 0.0000 1.61290E-02 0.6992 107 2
16800 . 127.59299 81.000 70.175 1.0000 0.0000 1.23457E-02 0.7002 107 2
16801 . 127.60000 65.000 70.144 1.0000 0.0000 1.53846E-02 0.7002 107 2
16802 . 127.60699 62.000 70.119 1.0000 0.0000 1.61290E-02 0.7002 107 2
16803 . 127.61401 70.000 70.097 1.0000 0.0000 1.42857E-02 0.7002 107 2
16804 . 127.62100 66.000 70.079 1.0000 0.0000 1.51515E-02 0.6992 107 2
16805 . 127.62799 62.000 70.065 1.0000 0.0000 1.61290E-02 0.7002 107 2
16806 . 127.63500 76.000 70.054 1.0000 0.0000 1.31579E-02 0.7002 107 2
16807 . 127.64199 83.000 70.047 1.0000 0.0000 1.20482E-02 0.7002 107 2
16808 . 127.64900 73.000 70.042 1.0000 0.0000 1.36986E-02 0.7002 107 2
16809 . 127.65601 60.000 70.040 1.0000 0.0000 1.66667E-02 0.6992 107 2
16810 . 127.66299 64.000 70.040 1.0000 0.0000 1.56250E-02 0.7002 107 2
16811 . 127.67000 59.000 70.044 1.0000 0.0000 1.69492E-02 0.7002 107 2
16812 . 127.67699 66.000 70.050 1.0000 0.0000 1.51515E-02 0.7002 107 2
16813 . 127.68401 64.000 70.059 1.0000 0.0000 1.56250E-02 0.7002 107 2
16814 . 127.69101 70.000 70.070 1.0000 0.0000 1.42857E-02 0.6992 107 2
16815 . 127.69799 59.000 70.084 1.0000 0.0000 1.69492E-02 0.7002 107 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 297
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16816 . 127.70500 71.000 70.101 1.0000 0.0000 1.40845E-02 0.7002 107 2
16817 . 127.71199 69.000 70.120 1.0000 0.0000 1.44928E-02 0.7002 107 2
16818 . 127.71900 72.000 70.143 1.0000 0.0000 1.38889E-02 0.7002 107 2
16819 . 127.72601 71.000 70.169 1.0000 0.0000 1.40845E-02 0.6992 107 2
16820 . 127.73299 57.000 70.199 1.0000 0.0000 1.75439E-02 0.7002 107 2
16821 . 127.74000 59.000 70.232 1.0000 0.0000 1.69492E-02 0.7002 107 2
16822 . 127.74699 62.000 69.954 1.0000 0.0000 1.61290E-02 0.7002 108 1
16823 . 127.75401 70.000 70.007 1.0000 0.0000 1.42857E-02 0.7002 108 1
16824 . 127.76101 59.000 70.065 1.0000 0.0000 1.69492E-02 0.6992 108 1
16825 . 127.76799 66.000 70.128 1.0000 0.0000 1.51515E-02 0.7002 108 1
16826 . 127.77500 71.000 70.199 1.0000 0.0000 1.40845E-02 0.7002 108 1
16827 . 127.78199 67.000 70.277 1.0000 0.0000 1.49254E-02 0.7002 108 1
16828 . 127.78900 66.000 70.367 1.0000 0.0000 1.51515E-02 0.7002 108 1
16829 . 127.79601 67.000 70.471 1.0000 0.0000 1.49254E-02 0.6992 108 1
16830 . 127.80299 68.000 70.594 1.0000 0.0000 1.47059E-02 0.7002 108 1
16831 . 127.81000 78.000 70.743 1.0000 0.0000 1.28205E-02 0.7002 108 1
16832 . 127.81699 78.000 70.928 1.0000 0.0000 1.28205E-02 0.7002 108 1
16833 . 127.82401 55.000 71.164 1.0000 0.0000 1.81818E-02 0.7002 108 1
16834 . 127.83101 68.000 71.467 1.0000 0.0000 1.47059E-02 0.6992 108 1
16835 . 127.83799 58.000 71.858 1.0000 0.0000 1.72414E-02 0.7002 108 1
16836 . 127.84500 64.000 72.366 1.0000 0.0000 1.56250E-02 0.7002 108 1
16837 . 127.85199 66.000 73.019 1.0000 0.0000 1.51515E-02 0.7002 108 1
16838 . 127.85900 69.000 73.851 1.0000 0.0000 1.44928E-02 0.7002 108 1
16839 . 127.86600 70.000 74.890 1.0000 0.0000 1.42857E-02 0.6992 108 1
16840 . 127.87299 59.000 76.156 1.0000 0.0000 1.69492E-02 0.7002 108 1
16841 . 127.88000 62.000 77.674 1.0000 0.0000 1.61290E-02 0.7002 108 1
16842 . 127.88699 69.000 79.431 1.0000 0.0000 1.44928E-02 0.7002 108 1
16843 . 127.89400 71.000 81.414 1.0000 0.0000 1.40845E-02 0.7002 108 1
16844 . 127.90101 75.000 83.567 1.0000 0.0000 1.33333E-02 0.6992 108 1
16845 . 127.90799 73.000 85.805 1.0000 0.0000 1.36986E-02 0.7002 108 1
16846 . 127.91500 68.000 88.024 1.0000 0.0000 1.47059E-02 0.7002 108 1
16847 . 127.92199 65.000 90.050 1.0000 0.0000 1.53846E-02 0.7002 108 1
16848 . 127.92900 64.000 91.700 1.0000 0.0000 1.56250E-02 0.7002 108 1
16849 .1 127.93600 69.000 92.765 1.0000 0.0000 1.44928E-02 0.6992 108 1
16850 . 127.94299 62.000 93.094 1.0000 0.0000 1.61290E-02 0.7002 108 1
16851 . 127.95000 60.000 92.636 1.0000 0.0000 1.66667E-02 0.7002 108 1
16852 . 127.95699 56.000 91.468 1.0000 0.0000 1.78571E-02 0.7002 108 1
16853 . 127.96400 55.000 89.750 1.0000 0.0000 1.81818E-02 0.7002 108 1
16854 . 127.97101 67.000 87.694 1.0000 0.0000 1.49254E-02 0.6992 108 1
16855 . 127.97799 67.000 85.490 1.0000 0.0000 1.49254E-02 0.7002 108 1
16856 . 127.98500 58.000 83.277 1.0000 0.0000 1.72414E-02 0.7002 108 1
16857 . 127.99199 65.000 81.179 1.0000 0.0000 1.53846E-02 0.7002 108 1
16858 . 127.99900 60.000 79.259 1.0000 0.0000 1.66667E-02 0.7002 108 1
16859 . 128.00601 73.000 77.570 1.0000 0.0000 1.36986E-02 0.6992 108 1
16860 . 128.01299 69.000 76.130 1.0000 0.0000 1.44928E-02 0.7002 108 1
16861 . 128.02000 65.000 74.929 1.0000 0.0000 1.53846E-02 0.7002 108 1
16862 . 128.02699 53.000 73.958 1.0000 0.0000 1.88679E-02 0.7002 108 1
16863 . 128.03400 58.000 73.186 1.0000 0.0000 1.72414E-02 0.7002 108 1
16864 . 128.04100 65.000 72.587 1.0000 0.0000 1.53846E-02 0.6992 108 1
16865 . 128.04799 57.000 72.129 1.0000 0.0000 1.75439E-02 0.7002 108 1
16866 . 128.05499 54.000 71.779 1.0000 0.0000 1.85185E-02 0.7002 108 1
16867 . 128.06200 59.000 71.515 1.0000 0.0000 1.69492E-02 0.7002 108 1
16868 . 128.06900 56.000 71.314 1.0000 0.0000 1.78571E-02 0.7002 108 1
16869 . 128.07600 63.000 71.160 1.0000 0.0000 1.58730E-02 0.6992 108 1
16870 . 128.08299 61.000 71.040 1.0000 0.0000 1.63934E-02 0.7002 108 1
16871 . 128.09000 63.000 70.945 1.0000 0.0000 1.58730E-02 0.7002 108 1
16872 . 128.09698 67.000 70.868 1.0000 0.0000 1.49254E-02 0.7002 108 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 298
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16873 . 128.10400 68.000 70.804 1.0000 0.0000 1.47059E-02 0.7002 108 1
16874 . 128.11101 58.000 70.751 1.0000 0.0000 1.72414E-02 0.6992 108 1
16875 . 128.11798 68.000 70.705 1.0000 0.0000 1.47059E-02 0.7002 108 1
16876 . 128.12500 73.000 70.667 1.0000 0.0000 1.36986E-02 0.7002 108 1
16877 . 128.13199 73.000 70.633 1.0000 0.0000 1.36986E-02 0.7002 108 1
16878 . 128.13901 66.000 70.604 1.0000 0.0000 1.51515E-02 0.7002 108 1
16879 . 128.14601 68.000 70.579 1.0000 0.0000 1.47059E-02 0.6992 108 1
16880 . 128.15298 65.000 70.558 1.0000 0.0000 1.53846E-02 0.7002 108 1
16881 . 128.16000 65.000 70.539 1.0000 0.0000 1.53846E-02 0.7002 108 1
16882 . 128.16699 75.000 70.523 1.0000 0.0000 1.33333E-02 0.7002 108 1
16883 . 128.17401 70.000 70.510 1.0000 0.0000 1.42857E-02 0.7002 108 1
16884 . 128.18100 69.000 70.498 1.0000 0.0000 1.44928E-02 0.6992 108 1
16885 . 128.18799 70.000 70.488 1.0000 0.0000 1.42857E-02 0.7002 108 1
16886 . 128.19501 61.000 70.480 1.0000 0.0000 1.63934E-02 0.7002 108 1
16887 . 128.20200 61.000 70.474 1.0000 0.0000 1.63934E-02 0.7002 108 1
16888 . 128.20900 61.000 70.469 1.0000 0.0000 1.63934E-02 0.7002 108 1
16889 . 128.21600 64.000 70.465 1.0000 0.0000 1.56250E-02 0.6992 108 1
16890 . 128.22299 76.000 70.462 1.0000 0.0000 1.31579E-02 0.7002 108 1
16891 . 128.23000 63.000 70.461 1.0000 0.0000 1.58730E-02 0.7002 108 1
16892 . 128.23700 57.000 70.460 1.0000 0.0000 1.75439E-02 0.7002 108 1
16893 . 128.24400 67.000 70.460 1.0000 0.0000 1.49254E-02 0.7002 108 1
16894 . 128.25101 63.000 70.461 1.0000 0.0000 1.58730E-02 0.6992 108 1
16895 . 128.25800 63.000 70.462 1.0000 0.0000 1.58730E-02 0.7002 108 1
16896 . 128.26500 61.000 70.464 1.0000 0.0000 1.63934E-02 0.7002 108 1
16897 . 128.27199 71.000 70.467 1.0000 0.0000 1.40845E-02 0.7002 108 1
16898 . 128.27901 62.000 70.471 1.0000 0.0000 1.61290E-02 0.7002 108 1
16899 . 128.28601 56.000 70.474 1.0000 0.0000 1.78571E-02 0.6992 108 1
16900 . 128.29298 62.000 70.479 1.0000 0.0000 1.61290E-02 0.7002 108 1
16901 . 128.30000 61.000 70.483 1.0000 0.0000 1.63934E-02 0.7002 108 1
16902 . 128.30699 52.000 70.489 1.0000 0.0000 1.92308E-02 0.7002 108 1
16903 . 128.31401 61.000 70.494 1.0000 0.0000 1.63934E-02 0.7002 108 1
16904 B 128.32100 58.000 70.338 1.0000 0.0000 1.72414E-02 0.6992 0 1
16905 B 128.32799 60.000 70.350 1.0000 0.0000 1.66667E-02 0.7002 0 1
16906 B 128.33501 69.000 70.362 1.0000 0.0000 1.44928E-02 0.7002 0 1
16907 B 128.34200 64.000 70.374 1.0000 0.0000 1.56250E-02 0.7002 0 1
16908 B 128.34900 58.000 70.386 1.0000 0.0000 1.72414E-02 0.7002 0 1
16909 B 128.35600 52.000 70.398 1.0000 0.0000 1.92308E-02 0.6992 0 1
16910 B 128.36299 62.000 70.410 1.0000 0.0000 1.61290E-02 0.7002 0 1
16911 B 128.37000 60.000 70.422 1.0000 0.0000 1.66667E-02 0.7002 0 1
16912 B 128.37700 60.000 70.434 1.0000 0.0000 1.66667E-02 0.7002 0 1
16913 B 128.38400 63.000 70.446 1.0000 0.0000 1.58730E-02 0.7002 0 1
16914 B 128.39101 70.000 70.457 1.0000 0.0000 1.42857E-02 0.6992 0 1
16915 B 128.39799 75.000 70.469 1.0000 0.0000 1.33333E-02 0.7002 0 1
16916 B 128.40500 71.000 70.481 1.0000 0.0000 1.40845E-02 0.7002 0 1
16917 B 128.41199 60.000 70.493 1.0000 0.0000 1.66667E-02 0.7002 0 1
16918 B 128.41901 53.000 70.505 1.0000 0.0000 1.88679E-02 0.7002 0 1
16919 B 128.42601 58.000 70.517 1.0000 0.0000 1.72414E-02 0.6992 0 1
16920 B 128.43298 65.000 70.529 1.0000 0.0000 1.53846E-02 0.7002 0 1
16921 B 128.44000 59.000 70.541 1.0000 0.0000 1.69492E-02 0.7002 0 1
16922 B 128.44699 61.000 70.553 1.0000 0.0000 1.63934E-02 0.7002 0 1
16923 B 128.45401 64.000 70.565 1.0000 0.0000 1.56250E-02 0.7002 0 1
16924 B 128.46100 64.000 70.577 1.0000 0.0000 1.56250E-02 0.6992 0 1
16925 B 128.46799 76.000 70.589 1.0000 0.0000 1.31579E-02 0.7002 0 1
16926 B 128.47501 70.000 70.601 1.0000 0.0000 1.42857E-02 0.7002 0 1
16927 B 128.48199 75.000 70.613 1.0000 0.0000 1.33333E-02 0.7002 0 1
16928 B 128.48900 60.000 70.625 1.0000 0.0000 1.66667E-02 0.7002 0 1
16929 B 128.49600 57.000 70.637 1.0000 0.0000 1.75439E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 299
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16930 B 128.50299 60.000 70.649 1.0000 0.0000 1.66667E-02 0.7002 0 1
16931 B 128.50999 64.000 70.661 1.0000 0.0000 1.56250E-02 0.7002 0 1
16932 B 128.51700 70.000 70.673 1.0000 0.0000 1.42857E-02 0.7002 0 1
16933 B 128.52400 67.000 70.685 1.0000 0.0000 1.49254E-02 0.7002 0 1
16934 B 128.53101 58.000 70.697 1.0000 0.0000 1.72414E-02 0.6992 0 1
16935 B 128.53799 65.000 70.709 1.0000 0.0000 1.53846E-02 0.7002 0 1
16936 B 128.54500 70.000 70.721 1.0000 0.0000 1.42857E-02 0.7002 0 1
16937 B 128.55199 72.000 70.733 1.0000 0.0000 1.38889E-02 0.7002 0 1
16938 B 128.55901 66.000 70.745 1.0000 0.0000 1.51515E-02 0.7002 0 1
16939 B 128.56601 85.000 70.757 1.0000 0.0000 1.17647E-02 0.6992 0 1
16940 B 128.57298 82.000 70.769 1.0000 0.0000 1.21951E-02 0.7002 0 1
16941 B 128.58000 63.000 70.781 1.0000 0.0000 1.58730E-02 0.7002 0 1
16942 B 128.58699 72.000 70.793 1.0000 0.0000 1.38889E-02 0.7002 0 1
16943 B 128.59401 70.000 70.805 1.0000 0.0000 1.42857E-02 0.7002 0 1
16944 B 128.60101 75.000 70.817 1.0000 0.0000 1.33333E-02 0.6992 0 1
16945 B 128.60799 65.000 70.829 1.0000 0.0000 1.53846E-02 0.7002 0 1
16946 B 128.61501 61.000 70.841 1.0000 0.0000 1.63934E-02 0.7002 0 1
16947 B 128.62199 57.000 70.853 1.0000 0.0000 1.75439E-02 0.7002 0 1
16948 B 128.62900 62.000 70.866 1.0000 0.0000 1.61290E-02 0.7002 0 1
16949 B 128.63600 68.000 70.878 1.0000 0.0000 1.47059E-02 0.6992 0 1
16950 B 128.64299 73.000 70.890 1.0000 0.0000 1.36986E-02 0.7002 0 1
16951 B 128.64999 63.000 70.902 1.0000 0.0000 1.58730E-02 0.7002 0 1
16952 B 128.65700 53.000 70.914 1.0000 0.0000 1.88679E-02 0.7002 0 1
16953 B 128.66400 51.000 70.926 1.0000 0.0000 1.96078E-02 0.7002 0 1
16954 B 128.67101 73.000 70.938 1.0000 0.0000 1.36986E-02 0.6992 0 1
16955 B 128.67799 68.000 70.950 1.0000 0.0000 1.47059E-02 0.7002 0 1
16956 B 128.68500 56.000 70.962 1.0000 0.0000 1.78571E-02 0.7002 0 1
16957 B 128.69199 70.000 70.974 1.0000 0.0000 1.42857E-02 0.7002 0 1
16958 B 128.69901 69.000 70.986 1.0000 0.0000 1.44928E-02 0.7002 0 1
16959 B 128.70601 64.000 70.998 1.0000 0.0000 1.56250E-02 0.6992 0 1
16960 B 128.71298 76.000 71.010 1.0000 0.0000 1.31579E-02 0.7002 0 1
16961 B 128.72000 73.000 71.023 1.0000 0.0000 1.36986E-02 0.7002 0 1
16962 B 128.72699 68.000 71.035 1.0000 0.0000 1.47059E-02 0.7002 0 1
16963 B 128.73401 71.000 71.047 1.0000 0.0000 1.40845E-02 0.7002 0 1
16964 B 128.74101 76.000 71.059 1.0000 0.0000 1.31579E-02 0.6992 0 1
16965 B 128.74799 77.000 71.071 1.0000 0.0000 1.29870E-02 0.7002 0 1
16966 B 128.75500 70.000 71.083 1.0000 0.0000 1.42857E-02 0.7002 0 1
16967 B 128.76199 60.000 71.095 1.0000 0.0000 1.66667E-02 0.7002 0 1
16968 B 128.76900 68.000 71.107 1.0000 0.0000 1.47059E-02 0.7002 0 1
16969 B 128.77600 57.000 71.119 1.0000 0.0000 1.75439E-02 0.6992 0 1
16970 B 128.78299 68.000 71.131 1.0000 0.0000 1.47059E-02 0.7002 0 1
16971 B 128.78999 65.000 71.144 1.0000 0.0000 1.53846E-02 0.7002 0 1
16972 B 128.79700 67.000 71.156 1.0000 0.0000 1.49254E-02 0.7002 0 1
16973 B 128.80400 63.000 71.168 1.0000 0.0000 1.58730E-02 0.7002 0 1
16974 B 128.81100 68.000 71.180 1.0000 0.0000 1.47059E-02 0.6992 0 1
16975 B 128.81799 68.000 71.192 1.0000 0.0000 1.47059E-02 0.7002 0 1
16976 B 128.82500 80.000 71.204 1.0000 0.0000 1.25000E-02 0.7002 0 1
16977 B 128.83199 65.000 71.216 1.0000 0.0000 1.53846E-02 0.7002 0 1
16978 B 128.83900 64.000 71.229 1.0000 0.0000 1.56250E-02 0.7002 0 1
16979 B 128.84601 67.000 71.241 1.0000 0.0000 1.49254E-02 0.6992 0 1
16980 B 128.85298 71.000 71.253 1.0000 0.0000 1.40845E-02 0.7002 0 1
16981 B 128.86000 61.000 71.265 1.0000 0.0000 1.63934E-02 0.7002 0 1
16982 B 128.86699 64.000 71.277 1.0000 0.0000 1.56250E-02 0.7002 0 1
16983 B 128.87401 67.000 71.289 1.0000 0.0000 1.49254E-02 0.7002 0 1
16984 B 128.88101 61.000 71.302 1.0000 0.0000 1.63934E-02 0.6992 0 1
16985 B 128.88799 63.000 71.314 1.0000 0.0000 1.58730E-02 0.7002 0 1
16986 B 128.89500 69.000 71.326 1.0000 0.0000 1.44928E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 300
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
16987 . 128.90199 65.000 71.338 1.0000 0.0000 1.53846E-02 0.7002 109 1
16988 . 128.90900 66.000 71.350 1.0000 0.0000 1.51515E-02 0.7002 109 1
16989 . 128.91600 66.000 71.362 1.0000 0.0000 1.51515E-02 0.6992 109 1
16990 . 128.92299 72.000 71.375 1.0000 0.0000 1.38889E-02 0.7002 109 1
16991 . 128.92999 73.000 71.387 1.0000 0.0000 1.36986E-02 0.7002 109 1
16992 . 128.93700 69.000 71.399 1.0000 0.0000 1.44928E-02 0.7002 109 1
16993 . 128.94400 64.000 71.411 1.0000 0.0000 1.56250E-02 0.7002 109 1
16994 . 128.95100 65.000 71.423 1.0000 0.0000 1.53846E-02 0.6992 109 1
16995 . 128.95799 67.000 71.435 1.0000 0.0000 1.49254E-02 0.7002 109 1
16996 . 128.96500 51.000 71.448 1.0000 0.0000 1.96078E-02 0.7002 109 1
16997 . 128.97198 63.000 71.460 1.0000 0.0000 1.58730E-02 0.7002 109 1
16998 . 128.97900 65.000 71.472 1.0000 0.0000 1.53846E-02 0.7002 109 1
16999 . 128.98601 64.000 71.484 1.0000 0.0000 1.56250E-02 0.6992 109 1
17000 . 128.99298 73.000 71.497 1.0000 0.0000 1.36986E-02 0.7002 109 1
17001 . 129.00000 66.000 71.509 1.0000 0.0000 1.51515E-02 0.7002 109 1
17002 . 129.00699 77.000 71.521 1.0000 0.0000 1.29870E-02 0.7002 109 1
17003 . 129.01401 69.000 71.533 1.0000 0.0000 1.44928E-02 0.7002 109 1
17004 . 129.02101 69.000 71.545 1.0000 0.0000 1.44928E-02 0.6992 109 1
17005 . 129.02798 59.000 71.558 1.0000 0.0000 1.69492E-02 0.7002 109 1
17006 . 129.03500 78.000 71.570 1.0000 0.0000 1.28205E-02 0.7002 109 1
17007 . 129.04199 61.000 71.582 1.0000 0.0000 1.63934E-02 0.7002 109 1
17008 . 129.04901 68.000 71.594 1.0000 0.0000 1.47059E-02 0.7002 109 1
17009 . 129.05600 71.000 71.607 1.0000 0.0000 1.40845E-02 0.6992 109 1
17010 . 129.06299 61.000 71.619 1.0000 0.0000 1.63934E-02 0.7002 109 1
17011 . 129.07001 57.000 71.631 1.0000 0.0000 1.75439E-02 0.7002 109 1
17012 . 129.07700 71.000 71.643 1.0000 0.0000 1.40845E-02 0.7002 109 1
17013 . 129.08400 55.000 71.656 1.0000 0.0000 1.81818E-02 0.7002 109 1
17014 . 129.09100 67.000 71.668 1.0000 0.0000 1.49254E-02 0.6992 109 1
17015 . 129.09799 81.000 71.680 1.0000 0.0000 1.23457E-02 0.7002 109 1
17016 . 129.10500 61.000 71.692 1.0000 0.0000 1.63934E-02 0.7002 109 1
17017 . 129.11200 60.000 71.705 1.0000 0.0000 1.66667E-02 0.7002 109 1
17018 . 129.11900 66.000 71.717 1.0000 0.0000 1.51515E-02 0.7002 109 1
17019 . 129.12601 57.000 71.729 1.0000 0.0000 1.75439E-02 0.6992 109 1
17020 . 129.13300 61.000 71.741 1.0000 0.0000 1.63934E-02 0.7002 109 1
17021 . 129.14000 70.000 71.754 1.0000 0.0000 1.42857E-02 0.7002 109 1
17022 . 129.14699 70.000 71.766 1.0000 0.0000 1.42857E-02 0.7002 109 1
17023 . 129.15401 67.000 71.778 1.0000 0.0000 1.49254E-02 0.7002 109 1
17024 . 129.16101 71.000 71.791 1.0000 0.0000 1.40845E-02 0.6992 109 1
17025 . 129.16798 63.000 71.803 1.0000 0.0000 1.58730E-02 0.7002 109 1
17026 . 129.17500 58.000 71.815 1.0000 0.0000 1.72414E-02 0.7002 109 1
17027 . 129.18199 63.000 71.827 1.0000 0.0000 1.58730E-02 0.7002 109 1
17028 . 129.18901 57.000 71.840 1.0000 0.0000 1.75439E-02 0.7002 109 1
17029 . 129.19600 54.000 71.852 1.0000 0.0000 1.85185E-02 0.6992 109 1
17030 . 129.20299 53.000 71.864 1.0000 0.0000 1.88679E-02 0.7002 109 1
17031 . 129.21001 64.000 71.877 1.0000 0.0000 1.56250E-02 0.7002 109 1
17032 . 129.21700 55.000 71.889 1.0000 0.0000 1.81818E-02 0.7002 109 1
17033 . 129.22400 55.000 71.901 1.0000 0.0000 1.81818E-02 0.7002 109 1
17034 . 129.23100 47.000 71.914 1.0000 0.0000 2.12766E-02 0.6992 109 1
17035 . 129.23799 66.000 71.926 1.0000 0.0000 1.51515E-02 0.7002 109 1
17036 . 129.24500 83.000 71.938 1.0000 0.0000 1.20482E-02 0.7002 109 1
17037 . 129.25200 79.000 71.951 1.0000 0.0000 1.26582E-02 0.7002 109 1
17038 . 129.25900 63.000 71.963 1.0000 0.0000 1.58730E-02 0.7002 109 1
17039 . 129.26601 63.000 71.975 1.0000 0.0000 1.58730E-02 0.6992 109 1
17040 .1 129.27299 62.000 71.988 1.0000 0.0000 1.61290E-02 0.7002 109 1
17041 . 129.28000 67.000 72.000 1.0000 0.0000 1.49254E-02 0.7002 109 1
17042 . 129.28699 62.000 72.012 1.0000 0.0000 1.61290E-02 0.7002 109 1
17043 . 129.29401 60.000 72.025 1.0000 0.0000 1.66667E-02 0.7002 109 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 301
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17044 . 129.30101 69.000 72.037 1.0000 0.0000 1.44928E-02 0.6992 109 1
17045 . 129.30798 71.000 72.049 1.0000 0.0000 1.40845E-02 0.7002 109 1
17046 . 129.31500 51.000 72.062 1.0000 0.0000 1.96078E-02 0.7002 109 1
17047 . 129.32199 56.000 72.074 1.0000 0.0000 1.78571E-02 0.7002 109 1
17048 . 129.32901 54.000 72.086 1.0000 0.0000 1.85185E-02 0.7002 109 1
17049 . 129.33600 64.000 72.099 1.0000 0.0000 1.56250E-02 0.6992 109 1
17050 . 129.34299 55.000 72.111 1.0000 0.0000 1.81818E-02 0.7002 109 1
17051 . 129.35001 63.000 72.123 1.0000 0.0000 1.58730E-02 0.7002 109 1
17052 . 129.35699 65.000 72.136 1.0000 0.0000 1.53846E-02 0.7002 109 1
17053 . 129.36400 60.000 72.148 1.0000 0.0000 1.66667E-02 0.7002 109 1
17054 . 129.37100 65.000 72.161 1.0000 0.0000 1.53846E-02 0.6992 109 1
17055 . 129.37799 56.000 72.173 1.0000 0.0000 1.78571E-02 0.7002 109 1
17056 . 129.38499 61.000 72.185 1.0000 0.0000 1.63934E-02 0.7002 109 1
17057 . 129.39200 65.000 72.198 1.0000 0.0000 1.53846E-02 0.7002 109 1
17058 . 129.39900 56.000 72.210 1.0000 0.0000 1.78571E-02 0.7002 109 1
17059 . 129.40601 55.000 72.223 1.0000 0.0000 1.81818E-02 0.6992 109 1
17060 . 129.41299 70.000 72.235 1.0000 0.0000 1.42857E-02 0.7002 109 1
17061 . 129.42000 67.000 72.247 1.0000 0.0000 1.49254E-02 0.7002 109 1
17062 . 129.42699 68.000 72.260 1.0000 0.0000 1.47059E-02 0.7002 109 1
17063 . 129.43401 77.000 72.272 1.0000 0.0000 1.29870E-02 0.7002 109 1
17064 . 129.44101 64.000 72.285 1.0000 0.0000 1.56250E-02 0.6992 109 1
17065 . 129.44798 62.000 72.297 1.0000 0.0000 1.61290E-02 0.7002 109 1
17066 . 129.45500 63.000 72.309 1.0000 0.0000 1.58730E-02 0.7002 109 1
17067 . 129.46199 58.000 72.322 1.0000 0.0000 1.72414E-02 0.7002 109 1
17068 . 129.46901 62.000 72.334 1.0000 0.0000 1.61290E-02 0.7002 109 1
17069 . 129.47601 59.000 72.347 1.0000 0.0000 1.69492E-02 0.6992 109 1
17070 . 129.48299 58.000 72.359 1.0000 0.0000 1.72414E-02 0.7002 109 1
17071 . 129.49001 61.000 72.372 1.0000 0.0000 1.63934E-02 0.7002 109 1
17072 . 129.49699 62.000 72.384 1.0000 0.0000 1.61290E-02 0.7002 109 2
17073 . 129.50400 65.000 72.396 1.0000 0.0000 1.53846E-02 0.7002 109 2
17074 . 129.51100 60.000 72.409 1.0000 0.0000 1.66667E-02 0.6992 109 2
17075 . 129.51799 82.000 72.421 1.0000 0.0000 1.21951E-02 0.7002 109 2
17076 . 129.52499 66.000 72.434 1.0000 0.0000 1.51515E-02 0.7002 109 2
17077 . 129.53200 66.000 72.446 1.0000 0.0000 1.51515E-02 0.7002 109 2
17078 . 129.53900 67.000 72.459 1.0000 0.0000 1.49254E-02 0.7002 109 2
17079 . 129.54601 75.000 72.533 1.0000 0.0000 1.33333E-02 0.6992 109 3
17080 . 129.55299 70.000 72.548 1.0000 0.0000 1.42857E-02 0.7002 109 3
17081 . 129.56000 66.000 72.563 1.0000 0.0000 1.51515E-02 0.7002 109 3
17082 . 129.56699 59.000 72.578 1.0000 0.0000 1.69492E-02 0.7002 109 3
17083 . 129.57401 66.000 72.593 1.0000 0.0000 1.51515E-02 0.7002 109 3
17084 . 129.58101 60.000 72.609 1.0000 0.0000 1.66667E-02 0.6992 109 3
17085 . 129.58798 61.000 72.624 1.0000 0.0000 1.63934E-02 0.7002 109 3
17086 . 129.59500 53.000 72.640 1.0000 0.0000 1.88679E-02 0.7002 109 3
17087 . 129.60199 60.000 72.656 1.0000 0.0000 1.66667E-02 0.7002 109 3
17088 . 129.60901 60.000 72.672 1.0000 0.0000 1.66667E-02 0.7002 109 3
17089 . 129.61601 75.000 72.689 1.0000 0.0000 1.33333E-02 0.6992 109 3
17090 . 129.62299 58.000 72.705 1.0000 0.0000 1.72414E-02 0.7002 109 3
17091 . 129.63000 70.000 72.722 1.0000 0.0000 1.42857E-02 0.7002 109 3
17092 . 129.63699 59.000 72.740 1.0000 0.0000 1.69492E-02 0.7002 109 3
17093 . 129.64400 63.000 72.757 1.0000 0.0000 1.58730E-02 0.7002 109 3
17094 . 129.65100 75.000 72.776 1.0000 0.0000 1.33333E-02 0.6992 109 3
17095 . 129.65799 64.000 72.794 1.0000 0.0000 1.56250E-02 0.7002 110 2
17096 . 129.66499 56.000 72.813 1.0000 0.0000 1.78571E-02 0.7002 110 2
17097 . 129.67200 70.000 72.833 1.0000 0.0000 1.42857E-02 0.7002 110 2
17098 . 129.67900 66.000 72.853 1.0000 0.0000 1.51515E-02 0.7002 110 2
17099 . 129.68600 64.000 72.874 1.0000 0.0000 1.56250E-02 0.6992 110 2
17100 . 129.69299 62.000 72.895 1.0000 0.0000 1.61290E-02 0.7002 110 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 302
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17101 . 129.70000 60.000 72.917 1.0000 0.0000 1.66667E-02 0.7002 110 2
17102 . 129.70699 59.000 72.940 1.0000 0.0000 1.69492E-02 0.7002 110 2
17103 . 129.71400 59.000 72.965 1.0000 0.0000 1.69492E-02 0.7002 110 2
17104 . 129.72101 64.000 72.990 1.0000 0.0000 1.56250E-02 0.6992 110 2
17105 . 129.72798 64.000 73.017 1.0000 0.0000 1.56250E-02 0.7002 110 2
17106 . 129.73500 67.000 73.045 1.0000 0.0000 1.49254E-02 0.7002 110 2
17107 . 129.74199 71.000 73.075 1.0000 0.0000 1.40845E-02 0.7002 110 2
17108 . 129.74901 49.000 73.107 1.0000 0.0000 2.04082E-02 0.7002 110 2
17109 . 129.75601 51.000 73.142 1.0000 0.0000 1.96078E-02 0.6992 110 2
17110 . 129.76299 55.000 73.180 1.0000 0.0000 1.81818E-02 0.7002 110 2
17111 . 129.77000 60.000 73.222 1.0000 0.0000 1.66667E-02 0.7002 110 2
17112 . 129.77699 49.000 73.270 1.0000 0.0000 2.04082E-02 0.7002 110 2
17113 . 129.78400 57.000 73.325 1.0000 0.0000 1.75439E-02 0.7002 110 2
17114 . 129.79100 60.000 73.391 1.0000 0.0000 1.66667E-02 0.6992 110 2
17115 . 129.79799 62.000 73.471 1.0000 0.0000 1.61290E-02 0.7002 110 2
17116 . 129.80499 56.000 73.570 1.0000 0.0000 1.78571E-02 0.7002 110 2
17117 . 129.81200 66.000 73.694 1.0000 0.0000 1.51515E-02 0.7002 110 2
17118 . 129.81900 66.000 73.851 1.0000 0.0000 1.51515E-02 0.7002 110 2
17119 . 129.82600 74.000 74.049 1.0000 0.0000 1.35135E-02 0.6992 110 2
17120 . 129.83299 68.000 74.299 1.0000 0.0000 1.47059E-02 0.7002 110 2
17121 . 129.84000 79.000 74.612 1.0000 0.0000 1.26582E-02 0.7002 110 2
17122 . 129.84698 61.000 74.995 1.0000 0.0000 1.63934E-02 0.7002 110 2
17123 . 129.85400 59.000 75.457 1.0000 0.0000 1.69492E-02 0.7002 110 2
17124 . 129.86101 61.000 76.002 1.0000 0.0000 1.63934E-02 0.6992 110 2
17125 . 129.86798 60.000 76.625 1.0000 0.0000 1.66667E-02 0.7002 110 2
17126 .1 129.87500 68.000 77.323 1.0000 0.0000 1.47059E-02 0.7002 110 2
17127 . 129.88199 68.000 78.076 1.0000 0.0000 1.47059E-02 0.7002 110 2
17128 . 129.88901 58.000 78.860 1.0000 0.0000 1.72414E-02 0.7002 110 2
17129 . 129.89601 56.000 79.634 1.0000 0.0000 1.78571E-02 0.6992 110 2
17130 . 129.90298 65.000 80.345 1.0000 0.0000 1.53846E-02 0.7002 110 2
17131 . 129.91000 60.000 80.937 1.0000 0.0000 1.66667E-02 0.7002 110 2
17132 . 129.91699 69.000 81.338 1.0000 0.0000 1.44928E-02 0.7002 110 2
17133 .1 129.92401 65.000 81.500 1.0000 0.0000 1.53846E-02 0.7002 110 2
17134 . 129.93100 51.000 81.397 1.0000 0.0000 1.96078E-02 0.6992 110 2
17135 . 129.93799 56.000 81.050 1.0000 0.0000 1.78571E-02 0.7002 110 2
17136 . 129.94501 61.000 80.505 1.0000 0.0000 1.63934E-02 0.7002 110 2
17137 . 129.95200 63.000 79.830 1.0000 0.0000 1.58730E-02 0.7002 110 2
17138 . 129.95900 71.000 79.085 1.0000 0.0000 1.40845E-02 0.7002 110 2
17139 . 129.96600 75.000 78.326 1.0000 0.0000 1.33333E-02 0.6992 110 2
17140 . 129.97299 64.000 77.594 1.0000 0.0000 1.56250E-02 0.7002 110 2
17141 . 129.98000 64.000 76.913 1.0000 0.0000 1.56250E-02 0.7002 110 2
17142 . 129.98700 68.000 76.304 1.0000 0.0000 1.47059E-02 0.7002 110 2
17143 . 129.99400 64.000 75.773 1.0000 0.0000 1.56250E-02 0.7002 110 2
17144 . 130.00101 62.000 75.326 1.0000 0.0000 1.61290E-02 0.6992 110 2
17145 . 130.00800 67.000 74.959 1.0000 0.0000 1.49254E-02 0.7002 110 2
17146 . 130.01500 62.000 74.663 1.0000 0.0000 1.61290E-02 0.7002 110 2
17147 . 130.02199 68.000 74.431 1.0000 0.0000 1.47059E-02 0.7002 110 2
17148 . 130.02901 61.000 74.251 1.0000 0.0000 1.63934E-02 0.7002 110 2
17149 . 130.03601 60.000 74.114 1.0000 0.0000 1.66667E-02 0.6992 110 2
17150 . 130.04298 47.000 74.012 1.0000 0.0000 2.12766E-02 0.7002 110 2
17151 . 130.05000 56.000 73.935 1.0000 0.0000 1.78571E-02 0.7002 110 2
17152 . 130.05699 69.000 73.879 1.0000 0.0000 1.44928E-02 0.7002 110 2
17153 . 130.06401 60.000 73.837 1.0000 0.0000 1.66667E-02 0.7002 110 2
17154 . 130.07100 59.000 73.805 1.0000 0.0000 1.69492E-02 0.6992 110 2
17155 . 130.07799 60.000 73.782 1.0000 0.0000 1.66667E-02 0.7002 110 2
17156 . 130.08501 63.000 73.764 1.0000 0.0000 1.58730E-02 0.7002 110 2
17157 . 130.09200 72.000 73.751 1.0000 0.0000 1.38889E-02 0.7002 110 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 303
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17158 . 130.09900 67.000 73.741 1.0000 0.0000 1.49254E-02 0.7002 110 2
17159 . 130.10600 74.000 73.734 1.0000 0.0000 1.35135E-02 0.6992 110 2
17160 . 130.11299 69.000 73.729 1.0000 0.0000 1.44928E-02 0.7002 110 2
17161 . 130.12000 65.000 73.725 1.0000 0.0000 1.53846E-02 0.7002 110 2
17162 . 130.12700 61.000 73.724 1.0000 0.0000 1.63934E-02 0.7002 110 2
17163 . 130.13400 58.000 73.724 1.0000 0.0000 1.72414E-02 0.7002 110 2
17164 . 130.14101 59.000 73.725 1.0000 0.0000 1.69492E-02 0.6992 110 2
17165 . 130.14799 62.000 73.727 1.0000 0.0000 1.61290E-02 0.7002 110 2
17166 . 130.15500 60.000 73.761 1.0000 0.0000 1.66667E-02 0.7002 110 3
17167 . 130.16199 56.000 73.766 1.0000 0.0000 1.78571E-02 0.7002 110 3
17168 . 130.16901 64.000 73.772 1.0000 0.0000 1.56250E-02 0.7002 110 3
17169 . 130.17601 56.000 73.778 1.0000 0.0000 1.78571E-02 0.6992 110 3
17170 . 130.18298 46.000 73.785 1.0000 0.0000 2.17391E-02 0.7002 110 3
17171 . 130.19000 60.000 73.793 1.0000 0.0000 1.66667E-02 0.7002 110 3
17172 . 130.19699 68.000 73.801 1.0000 0.0000 1.47059E-02 0.7002 110 3
17173 . 130.20401 57.000 73.810 1.0000 0.0000 1.75439E-02 0.7002 110 3
17174 . 130.21100 55.000 73.819 1.0000 0.0000 1.81818E-02 0.6992 110 3
17175 . 130.21799 60.000 73.829 1.0000 0.0000 1.66667E-02 0.7002 110 3
17176 . 130.22501 54.000 73.839 1.0000 0.0000 1.85185E-02 0.7002 110 3
17177 . 130.23199 58.000 73.850 1.0000 0.0000 1.72414E-02 0.7002 110 3
17178 . 130.23900 61.000 73.861 1.0000 0.0000 1.63934E-02 0.7002 110 3
17179 . 130.24600 69.000 73.873 1.0000 0.0000 1.44928E-02 0.6992 110 3
17180 . 130.25299 53.000 73.884 1.0000 0.0000 1.88679E-02 0.7002 110 3
17181 . 130.25999 67.000 73.897 1.0000 0.0000 1.49254E-02 0.7002 111 2
17182 . 130.26700 60.000 73.910 1.0000 0.0000 1.66667E-02 0.7002 111 2
17183 . 130.27400 58.000 73.923 1.0000 0.0000 1.72414E-02 0.7002 111 2
17184 . 130.28101 60.000 73.936 1.0000 0.0000 1.66667E-02 0.6992 111 2
17185 . 130.28799 62.000 73.950 1.0000 0.0000 1.61290E-02 0.7002 111 2
17186 . 130.29500 56.000 73.965 1.0000 0.0000 1.78571E-02 0.7002 111 2
17187 . 130.30199 58.000 73.918 1.0000 0.0000 1.72414E-02 0.7002 112 1
17188 . 130.30901 68.000 73.935 1.0000 0.0000 1.47059E-02 0.7002 112 1
17189 . 130.31601 63.000 73.954 1.0000 0.0000 1.58730E-02 0.6992 112 1
17190 . 130.32298 61.000 73.972 1.0000 0.0000 1.63934E-02 0.7002 112 1
17191 . 130.33000 67.000 73.992 1.0000 0.0000 1.49254E-02 0.7002 112 1
17192 . 130.33699 66.000 74.012 1.0000 0.0000 1.51515E-02 0.7002 112 1
17193 . 130.34401 60.000 74.033 1.0000 0.0000 1.66667E-02 0.7002 112 1
17194 . 130.35101 68.000 74.055 1.0000 0.0000 1.47059E-02 0.6992 112 1
17195 . 130.35799 59.000 74.078 1.0000 0.0000 1.69492E-02 0.7002 112 1
17196 . 130.36501 63.000 74.102 1.0000 0.0000 1.58730E-02 0.7002 112 1
17197 . 130.37199 68.000 74.128 1.0000 0.0000 1.47059E-02 0.7002 112 1
17198 . 130.37900 76.000 74.156 1.0000 0.0000 1.31579E-02 0.7002 112 1
17199 . 130.38600 72.000 74.188 1.0000 0.0000 1.38889E-02 0.6992 112 1
17200 . 130.39299 68.000 74.223 1.0000 0.0000 1.47059E-02 0.7002 112 1
17201 . 130.39999 58.000 74.264 1.0000 0.0000 1.72414E-02 0.7002 112 1
17202 . 130.40700 60.000 74.312 1.0000 0.0000 1.66667E-02 0.7002 112 1
17203 . 130.41400 63.000 74.371 1.0000 0.0000 1.58730E-02 0.7002 112 1
17204 . 130.42101 62.000 74.442 1.0000 0.0000 1.61290E-02 0.6992 112 1
17205 . 130.42799 60.000 74.531 1.0000 0.0000 1.66667E-02 0.7002 112 1
17206 . 130.43500 61.000 74.641 1.0000 0.0000 1.63934E-02 0.7002 112 1
17207 . 130.44199 63.000 74.778 1.0000 0.0000 1.58730E-02 0.7002 112 1
17208 . 130.44901 65.000 74.946 1.0000 0.0000 1.53846E-02 0.7002 112 1
17209 . 130.45601 65.000 75.149 1.0000 0.0000 1.53846E-02 0.6992 112 1
17210 . 130.46298 61.000 75.391 1.0000 0.0000 1.63934E-02 0.7002 112 1
17211 . 130.47000 58.000 75.675 1.0000 0.0000 1.72414E-02 0.7002 112 1
17212 . 130.47699 65.000 75.996 1.0000 0.0000 1.53846E-02 0.7002 112 1
17213 . 130.48401 63.000 76.354 1.0000 0.0000 1.58730E-02 0.7002 112 1
17214 . 130.49101 59.000 76.737 1.0000 0.0000 1.69492E-02 0.6992 112 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 304
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17215 . 130.49799 72.000 77.131 1.0000 0.0000 1.38889E-02 0.7002 112 1
17216 . 130.50500 62.000 77.521 1.0000 0.0000 1.61290E-02 0.7002 112 1
17217 . 130.51199 69.000 77.876 1.0000 0.0000 1.44928E-02 0.7002 112 1
17218 . 130.51900 50.000 78.170 1.0000 0.0000 2.00000E-02 0.7002 112 1
17219 . 130.52600 56.000 78.368 1.0000 0.0000 1.78571E-02 0.6992 112 1
17220 .1 130.53299 47.000 78.446 1.0000 0.0000 2.12766E-02 0.7002 112 1
17221 . 130.53999 61.000 78.395 1.0000 0.0000 1.63934E-02 0.7002 112 1
17222 . 130.54700 64.000 78.225 1.0000 0.0000 1.56250E-02 0.7002 112 1
17223 . 130.55400 75.000 77.958 1.0000 0.0000 1.33333E-02 0.7002 112 1
17224 . 130.56100 70.000 77.628 1.0000 0.0000 1.42857E-02 0.6992 112 1
17225 . 130.56799 66.000 77.267 1.0000 0.0000 1.51515E-02 0.7002 112 1
17226 . 130.57500 62.000 76.896 1.0000 0.0000 1.61290E-02 0.7002 112 1
17227 . 130.58199 60.000 76.539 1.0000 0.0000 1.66667E-02 0.7002 112 1
17228 . 130.58900 58.000 76.207 1.0000 0.0000 1.72414E-02 0.7002 112 1
17229 . 130.59601 81.000 75.910 1.0000 0.0000 1.23457E-02 0.6992 112 1
17230 . 130.60298 50.000 75.653 1.0000 0.0000 2.00000E-02 0.7002 112 1
17231 . 130.61000 56.000 75.436 1.0000 0.0000 1.78571E-02 0.7002 112 1
17232 . 130.61699 67.000 75.257 1.0000 0.0000 1.49254E-02 0.7002 112 1
17233 . 130.62401 70.000 75.115 1.0000 0.0000 1.42857E-02 0.7002 112 1
17234 . 130.63101 67.000 75.003 1.0000 0.0000 1.49254E-02 0.6992 112 1
17235 . 130.63799 63.000 74.919 1.0000 0.0000 1.58730E-02 0.7002 112 1
17236 . 130.64500 57.000 74.856 1.0000 0.0000 1.75439E-02 0.7002 112 1
17237 . 130.65199 61.000 74.810 1.0000 0.0000 1.63934E-02 0.7002 112 1
17238 . 130.65900 62.000 74.777 1.0000 0.0000 1.61290E-02 0.7002 112 1
17239 . 130.66600 64.000 74.754 1.0000 0.0000 1.56250E-02 0.6992 112 1
17240 . 130.67299 56.000 74.739 1.0000 0.0000 1.78571E-02 0.7002 112 1
17241 . 130.67999 58.000 74.729 1.0000 0.0000 1.72414E-02 0.7002 112 1
17242 . 130.68700 58.000 74.724 1.0000 0.0000 1.72414E-02 0.7002 112 1
17243 . 130.69400 49.000 74.721 1.0000 0.0000 2.04082E-02 0.7002 112 1
17244 . 130.70100 72.000 74.721 1.0000 0.0000 1.38889E-02 0.6992 112 1
17245 . 130.70799 46.000 74.722 1.0000 0.0000 2.17391E-02 0.7002 112 1
17246 . 130.71500 60.000 74.725 1.0000 0.0000 1.66667E-02 0.7002 112 1
17247 . 130.72198 64.000 74.729 1.0000 0.0000 1.56250E-02 0.7002 112 1
17248 . 130.72900 71.000 74.734 1.0000 0.0000 1.40845E-02 0.7002 112 1
17249 . 130.73601 63.000 74.740 1.0000 0.0000 1.58730E-02 0.6992 112 1
17250 . 130.74298 69.000 74.746 1.0000 0.0000 1.44928E-02 0.7002 112 1
17251 . 130.75000 65.000 74.753 1.0000 0.0000 1.53846E-02 0.7002 112 1
17252 . 130.75699 68.000 74.760 1.0000 0.0000 1.47059E-02 0.7002 112 1
17253 . 130.76401 74.000 74.768 1.0000 0.0000 1.35135E-02 0.7002 112 1
17254 . 130.77101 59.000 74.777 1.0000 0.0000 1.69492E-02 0.6992 112 1
17255 . 130.77798 57.000 74.786 1.0000 0.0000 1.75439E-02 0.7002 112 1
17256 . 130.78500 54.000 74.795 1.0000 0.0000 1.85185E-02 0.7002 112 1
17257 . 130.79199 71.000 74.804 1.0000 0.0000 1.40845E-02 0.7002 112 1
17258 . 130.79901 55.000 74.814 1.0000 0.0000 1.81818E-02 0.7002 112 1
17259 . 130.80600 60.000 74.824 1.0000 0.0000 1.66667E-02 0.6992 112 1
17260 . 130.81299 56.000 74.834 1.0000 0.0000 1.78571E-02 0.7002 112 1
17261 . 130.82001 58.000 74.844 1.0000 0.0000 1.72414E-02 0.7002 112 1
17262 . 130.82700 68.000 74.855 1.0000 0.0000 1.47059E-02 0.7002 112 1
17263 . 130.83400 65.000 74.865 1.0000 0.0000 1.53846E-02 0.7002 112 1
17264 . 130.84100 52.000 74.876 1.0000 0.0000 1.92308E-02 0.6992 112 1
17265 . 130.84799 63.000 74.887 1.0000 0.0000 1.58730E-02 0.7002 112 1
17266 . 130.85500 72.000 74.898 1.0000 0.0000 1.38889E-02 0.7002 112 1
17267 . 130.86200 73.000 74.909 1.0000 0.0000 1.36986E-02 0.7002 112 1
17268 . 130.86900 66.000 74.921 1.0000 0.0000 1.51515E-02 0.7002 112 1
17269 . 130.87601 58.000 74.932 1.0000 0.0000 1.72414E-02 0.6992 112 1
17270 . 130.88300 58.000 74.944 1.0000 0.0000 1.72414E-02 0.7002 112 1
17271 . 130.89000 62.000 74.955 1.0000 0.0000 1.61290E-02 0.7002 112 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 305
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17272 . 130.89699 60.000 74.967 1.0000 0.0000 1.66667E-02 0.7002 112 1
17273 . 130.90401 69.000 74.979 1.0000 0.0000 1.44928E-02 0.7002 112 1
17274 B 130.91101 66.000 74.959 1.0000 0.0000 1.51515E-02 0.6992 0 1
17275 B 130.91798 72.000 74.972 1.0000 0.0000 1.38889E-02 0.7002 0 1
17276 B 130.92500 43.000 74.985 1.0000 0.0000 2.32558E-02 0.7002 0 1
17277 B 130.93199 63.000 74.998 1.0000 0.0000 1.58730E-02 0.7002 0 1
17278 B 130.93901 67.000 75.011 1.0000 0.0000 1.49254E-02 0.7002 0 1
17279 B 130.94600 65.000 75.024 1.0000 0.0000 1.53846E-02 0.6992 0 1
17280 B 130.95299 62.000 75.037 1.0000 0.0000 1.61290E-02 0.7002 0 1
17281 B 130.96001 65.000 75.050 1.0000 0.0000 1.53846E-02 0.7002 0 1
17282 B 130.96700 60.000 75.063 1.0000 0.0000 1.66667E-02 0.7002 0 1
17283 B 130.97400 60.000 75.076 1.0000 0.0000 1.66667E-02 0.7002 0 1
17284 B 130.98100 62.000 75.089 1.0000 0.0000 1.61290E-02 0.6992 0 1
17285 B 130.98799 60.000 75.103 1.0000 0.0000 1.66667E-02 0.7002 0 1
17286 B 130.99500 65.000 75.116 1.0000 0.0000 1.53846E-02 0.7002 0 1
17287 B 131.00200 68.000 75.129 1.0000 0.0000 1.47059E-02 0.7002 0 1
17288 B 131.00900 64.000 75.142 1.0000 0.0000 1.56250E-02 0.7002 0 1
17289 B 131.01601 71.000 75.155 1.0000 0.0000 1.40845E-02 0.6992 0 1
17290 B 131.02299 75.000 75.168 1.0000 0.0000 1.33333E-02 0.7002 0 1
17291 B 131.03000 68.000 75.181 1.0000 0.0000 1.47059E-02 0.7002 0 1
17292 B 131.03699 59.000 75.194 1.0000 0.0000 1.69492E-02 0.7002 0 1
17293 B 131.04401 60.000 75.207 1.0000 0.0000 1.66667E-02 0.7002 0 1
17294 B 131.05101 63.000 75.220 1.0000 0.0000 1.58730E-02 0.6992 0 1
17295 B 131.05798 76.000 75.234 1.0000 0.0000 1.31579E-02 0.7002 0 1
17296 B 131.06500 87.000 75.247 1.0000 0.0000 1.14943E-02 0.7002 0 1
17297 B 131.07199 67.000 75.260 1.0000 0.0000 1.49254E-02 0.7002 0 1
17298 B 131.07901 62.000 75.273 1.0000 0.0000 1.61290E-02 0.7002 0 1
17299 B 131.08600 68.000 75.286 1.0000 0.0000 1.47059E-02 0.6992 0 1
17300 B 131.09299 66.000 75.299 1.0000 0.0000 1.51515E-02 0.7002 0 1
17301 B 131.10001 61.000 75.312 1.0000 0.0000 1.63934E-02 0.7002 0 1
17302 B 131.10699 61.000 75.326 1.0000 0.0000 1.63934E-02 0.7002 0 1
17303 B 131.11400 55.000 75.339 1.0000 0.0000 1.81818E-02 0.7002 0 1
17304 B 131.12100 51.000 75.352 1.0000 0.0000 1.96078E-02 0.6992 0 1
17305 B 131.12799 51.000 75.365 1.0000 0.0000 1.96078E-02 0.7002 0 1
17306 B 131.13499 65.000 75.378 1.0000 0.0000 1.53846E-02 0.7002 0 1
17307 B 131.14200 58.000 75.391 1.0000 0.0000 1.72414E-02 0.7002 0 1
17308 B 131.14900 52.000 75.404 1.0000 0.0000 1.92308E-02 0.7002 0 1
17309 B 131.15601 59.000 75.418 1.0000 0.0000 1.69492E-02 0.6992 0 1
17310 B 131.16299 67.000 75.431 1.0000 0.0000 1.49254E-02 0.7002 0 1
17311 B 131.17000 79.000 75.444 1.0000 0.0000 1.26582E-02 0.7002 0 1
17312 B 131.17699 63.000 75.457 1.0000 0.0000 1.58730E-02 0.7002 0 1
17313 B 131.18401 59.000 75.470 1.0000 0.0000 1.69492E-02 0.7002 0 1
17314 B 131.19101 59.000 75.483 1.0000 0.0000 1.69492E-02 0.6992 0 1
17315 B 131.19798 64.000 75.497 1.0000 0.0000 1.56250E-02 0.7002 0 1
17316 B 131.20500 67.000 75.510 1.0000 0.0000 1.49254E-02 0.7002 0 1
17317 B 131.21199 66.000 75.523 1.0000 0.0000 1.51515E-02 0.7002 0 1
17318 B 131.21901 57.000 75.536 1.0000 0.0000 1.75439E-02 0.7002 0 1
17319 B 131.22601 60.000 75.549 1.0000 0.0000 1.66667E-02 0.6992 0 1
17320 B 131.23299 66.000 75.563 1.0000 0.0000 1.51515E-02 0.7002 0 1
17321 B 131.24001 70.000 75.576 1.0000 0.0000 1.42857E-02 0.7002 0 1
17322 B 131.24699 58.000 75.589 1.0000 0.0000 1.72414E-02 0.7002 0 1
17323 B 131.25400 56.000 75.602 1.0000 0.0000 1.78571E-02 0.7002 0 1
17324 B 131.26100 69.000 75.615 1.0000 0.0000 1.44928E-02 0.6992 0 1
17325 B 131.26799 58.000 75.629 1.0000 0.0000 1.72414E-02 0.7002 0 1
17326 B 131.27499 60.000 75.642 1.0000 0.0000 1.66667E-02 0.7002 0 1
17327 B 131.28200 63.000 75.655 1.0000 0.0000 1.58730E-02 0.7002 0 1
17328 B 131.28900 61.000 75.668 1.0000 0.0000 1.63934E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 306
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17329 B 131.29601 63.000 75.682 1.0000 0.0000 1.58730E-02 0.6992 0 1
17330 B 131.30299 60.000 75.695 1.0000 0.0000 1.66667E-02 0.7002 0 1
17331 B 131.31000 67.000 75.708 1.0000 0.0000 1.49254E-02 0.7002 0 1
17332 B 131.31699 64.000 75.721 1.0000 0.0000 1.56250E-02 0.7002 0 1
17333 B 131.32401 60.000 75.734 1.0000 0.0000 1.66667E-02 0.7002 0 1
17334 B 131.33101 61.000 75.748 1.0000 0.0000 1.63934E-02 0.6992 0 1
17335 B 131.33798 53.000 75.761 1.0000 0.0000 1.88679E-02 0.7002 0 1
17336 B 131.34500 84.000 75.774 1.0000 0.0000 1.19048E-02 0.7002 0 1
17337 B 131.35199 66.000 75.787 1.0000 0.0000 1.51515E-02 0.7002 0 1
17338 B 131.35901 64.000 75.801 1.0000 0.0000 1.56250E-02 0.7002 0 1
17339 B 131.36601 77.000 75.814 1.0000 0.0000 1.29870E-02 0.6992 0 1
17340 B 131.37299 64.000 75.827 1.0000 0.0000 1.56250E-02 0.7002 0 1
17341 B 131.38000 62.000 75.840 1.0000 0.0000 1.61290E-02 0.7002 0 1
17342 B 131.38699 55.000 75.854 1.0000 0.0000 1.81818E-02 0.7002 0 1
17343 B 131.39400 51.000 75.867 1.0000 0.0000 1.96078E-02 0.7002 0 1
17344 B 131.40100 56.000 75.880 1.0000 0.0000 1.78571E-02 0.6992 0 1
17345 B 131.40799 65.000 75.894 1.0000 0.0000 1.53846E-02 0.7002 0 1
17346 B 131.41499 67.000 75.907 1.0000 0.0000 1.49254E-02 0.7002 0 1
17347 B 131.42200 67.000 75.920 1.0000 0.0000 1.49254E-02 0.7002 0 1
17348 B 131.42900 61.000 75.933 1.0000 0.0000 1.63934E-02 0.7002 0 1
17349 B 131.43600 55.000 75.947 1.0000 0.0000 1.81818E-02 0.6992 0 1
17350 B 131.44299 63.000 75.960 1.0000 0.0000 1.58730E-02 0.7002 0 1
17351 B 131.45000 66.000 75.973 1.0000 0.0000 1.51515E-02 0.7002 0 1
17352 B 131.45699 50.000 75.986 1.0000 0.0000 2.00000E-02 0.7002 0 1
17353 B 131.46400 47.000 76.000 1.0000 0.0000 2.12766E-02 0.7002 0 1
17354 B 131.47101 56.000 76.013 1.0000 0.0000 1.78571E-02 0.6992 0 1
17355 B 131.47798 56.000 76.026 1.0000 0.0000 1.78571E-02 0.7002 0 1
17356 B 131.48500 68.000 76.040 1.0000 0.0000 1.47059E-02 0.7002 0 1
17357 B 131.49199 61.000 76.053 1.0000 0.0000 1.63934E-02 0.7002 0 1
17358 B 131.49901 52.000 76.066 1.0000 0.0000 1.92308E-02 0.7002 0 1
17359 B 131.50601 59.000 76.080 1.0000 0.0000 1.69492E-02 0.6992 0 1
17360 B 131.51299 61.000 76.093 1.0000 0.0000 1.63934E-02 0.7002 0 1
17361 B 131.52000 59.000 76.106 1.0000 0.0000 1.69492E-02 0.7002 0 1
17362 B 131.52699 68.000 76.120 1.0000 0.0000 1.47059E-02 0.7002 0 1
17363 B 131.53400 78.000 76.133 1.0000 0.0000 1.28205E-02 0.7002 0 1
17364 B 131.54100 71.000 76.146 1.0000 0.0000 1.40845E-02 0.6992 0 1
17365 B 131.54799 55.000 76.160 1.0000 0.0000 1.81818E-02 0.7002 0 1
17366 B 131.55499 57.000 76.173 1.0000 0.0000 1.75439E-02 0.7002 0 1
17367 B 131.56200 70.000 76.186 1.0000 0.0000 1.42857E-02 0.7002 0 1
17368 B 131.56900 54.000 76.200 1.0000 0.0000 1.85185E-02 0.7002 0 1
17369 B 131.57600 54.000 76.213 1.0000 0.0000 1.85185E-02 0.6992 0 1
17370 B 131.58299 80.000 76.226 1.0000 0.0000 1.25000E-02 0.7002 0 1
17371 B 131.59000 57.000 76.240 1.0000 0.0000 1.75439E-02 0.7002 0 1
17372 B 131.59698 65.000 76.253 1.0000 0.0000 1.53846E-02 0.7002 0 1
17373 B 131.60400 68.000 76.266 1.0000 0.0000 1.47059E-02 0.7002 0 1
17374 B 131.61101 70.000 76.280 1.0000 0.0000 1.42857E-02 0.6992 0 1
17375 B 131.61798 60.000 76.293 1.0000 0.0000 1.66667E-02 0.7002 0 1
17376 B 131.62500 59.000 76.307 1.0000 0.0000 1.69492E-02 0.7002 0 1
17377 B 131.63199 55.000 76.320 1.0000 0.0000 1.81818E-02 0.7002 0 1
17378 B 131.63901 65.000 76.333 1.0000 0.0000 1.53846E-02 0.7002 0 1
17379 B 131.64601 62.000 76.347 1.0000 0.0000 1.61290E-02 0.6992 0 1
17380 B 131.65298 58.000 76.360 1.0000 0.0000 1.72414E-02 0.7002 0 1
17381 B 131.66000 59.000 76.373 1.0000 0.0000 1.69492E-02 0.7002 0 1
17382 B 131.66699 61.000 76.387 1.0000 0.0000 1.63934E-02 0.7002 0 1
17383 B 131.67401 66.000 76.400 1.0000 0.0000 1.51515E-02 0.7002 0 1
17384 B 131.68100 69.000 76.414 1.0000 0.0000 1.44928E-02 0.6992 0 1
17385 B 131.68799 58.000 76.427 1.0000 0.0000 1.72414E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 307
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17386 B 131.69501 53.000 76.440 1.0000 0.0000 1.88679E-02 0.7002 0 1
17387 B 131.70200 65.000 76.454 1.0000 0.0000 1.53846E-02 0.7002 0 1
17388 B 131.70900 60.000 76.467 1.0000 0.0000 1.66667E-02 0.7002 0 1
17389 B 131.71600 67.000 76.481 1.0000 0.0000 1.49254E-02 0.6992 0 1
17390 B 131.72299 56.000 76.494 1.0000 0.0000 1.78571E-02 0.7002 0 1
17391 B 131.73000 65.000 76.507 1.0000 0.0000 1.53846E-02 0.7002 0 1
17392 B 131.73700 77.000 76.521 1.0000 0.0000 1.29870E-02 0.7002 0 1
17393 B 131.74400 61.000 76.534 1.0000 0.0000 1.63934E-02 0.7002 0 1
17394 B 131.75101 66.000 76.548 1.0000 0.0000 1.51515E-02 0.6992 0 1
17395 B 131.75800 62.000 76.561 1.0000 0.0000 1.61290E-02 0.7002 0 1
17396 B 131.76500 61.000 76.575 1.0000 0.0000 1.63934E-02 0.7002 0 1
17397 B 131.77199 72.000 76.588 1.0000 0.0000 1.38889E-02 0.7002 0 1
17398 B 131.77901 65.000 76.601 1.0000 0.0000 1.53846E-02 0.7002 0 1
17399 B 131.78601 83.000 76.615 1.0000 0.0000 1.20482E-02 0.6992 0 1
17400 B 131.79298 65.000 76.628 1.0000 0.0000 1.53846E-02 0.7002 0 1
17401 B 131.80000 56.000 76.642 1.0000 0.0000 1.78571E-02 0.7002 0 1
17402 B 131.80699 54.000 76.655 1.0000 0.0000 1.85185E-02 0.7002 0 1
17403 B 131.81401 53.000 76.669 1.0000 0.0000 1.88679E-02 0.7002 0 1
17404 B 131.82100 57.000 76.682 1.0000 0.0000 1.75439E-02 0.6992 0 1
17405 B 131.82799 62.000 76.696 1.0000 0.0000 1.61290E-02 0.7002 0 1
17406 B 131.83501 61.000 76.709 1.0000 0.0000 1.63934E-02 0.7002 0 1
17407 B 131.84200 60.000 76.722 1.0000 0.0000 1.66667E-02 0.7002 0 1
17408 B 131.84900 61.000 76.736 1.0000 0.0000 1.63934E-02 0.7002 0 1
17409 B 131.85600 66.000 76.749 1.0000 0.0000 1.51515E-02 0.6992 0 1
17410 B 131.86299 66.000 76.763 1.0000 0.0000 1.51515E-02 0.7002 0 1
17411 B 131.87000 65.000 76.776 1.0000 0.0000 1.53846E-02 0.7002 0 1
17412 B 131.87700 61.000 76.790 1.0000 0.0000 1.63934E-02 0.7002 0 1
17413 B 131.88400 71.000 76.803 1.0000 0.0000 1.40845E-02 0.7002 0 1
17414 B 131.89101 66.000 76.817 1.0000 0.0000 1.51515E-02 0.6992 0 1
17415 B 131.89799 52.000 76.830 1.0000 0.0000 1.92308E-02 0.7002 0 1
17416 B 131.90500 54.000 76.844 1.0000 0.0000 1.85185E-02 0.7002 0 1
17417 B 131.91199 54.000 76.857 1.0000 0.0000 1.85185E-02 0.7002 0 1
17418 B 131.91901 70.000 76.871 1.0000 0.0000 1.42857E-02 0.7002 0 1
17419 B 131.92601 63.000 76.884 1.0000 0.0000 1.58730E-02 0.6992 0 1
17420 B 131.93298 60.000 76.898 1.0000 0.0000 1.66667E-02 0.7002 0 1
17421 B 131.94000 52.000 76.911 1.0000 0.0000 1.92308E-02 0.7002 0 1
17422 B 131.94699 57.000 76.925 1.0000 0.0000 1.75439E-02 0.7002 0 1
17423 B 131.95401 68.000 76.938 1.0000 0.0000 1.47059E-02 0.7002 0 1
17424 B 131.96100 66.000 76.952 1.0000 0.0000 1.51515E-02 0.6992 0 1
17425 B 131.96799 61.000 76.965 1.0000 0.0000 1.63934E-02 0.7002 0 1
17426 B 131.97501 67.000 76.979 1.0000 0.0000 1.49254E-02 0.7002 0 1
17427 B 131.98199 54.000 76.992 1.0000 0.0000 1.85185E-02 0.7002 0 1
17428 B 131.98900 65.000 77.006 1.0000 0.0000 1.53846E-02 0.7002 0 1
17429 B 131.99600 58.000 77.020 1.0000 0.0000 1.72414E-02 0.6992 0 1
17430 B 132.00299 63.000 77.033 1.0000 0.0000 1.58730E-02 0.7002 0 1
17431 B 132.00999 48.000 77.047 1.0000 0.0000 2.08333E-02 0.7002 0 1
17432 B 132.01700 57.000 77.060 1.0000 0.0000 1.75439E-02 0.7002 0 1
17433 B 132.02400 50.000 77.074 1.0000 0.0000 2.00000E-02 0.7002 0 1
17434 B 132.03101 52.000 77.087 1.0000 0.0000 1.92308E-02 0.6992 0 1
17435 B 132.03799 58.000 77.101 1.0000 0.0000 1.72414E-02 0.7002 0 1
17436 B 132.04500 63.000 77.114 1.0000 0.0000 1.58730E-02 0.7002 0 1
17437 B 132.05199 52.000 77.128 1.0000 0.0000 1.92308E-02 0.7002 0 1
17438 B 132.05901 63.000 77.141 1.0000 0.0000 1.58730E-02 0.7002 0 1
17439 B 132.06601 70.000 77.155 1.0000 0.0000 1.42857E-02 0.6992 0 1
17440 B 132.07298 61.000 77.169 1.0000 0.0000 1.63934E-02 0.7002 0 1
17441 B 132.08000 68.000 77.182 1.0000 0.0000 1.47059E-02 0.7002 0 1
17442 B 132.08699 64.000 77.196 1.0000 0.0000 1.56250E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 308
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17443 B 132.09401 59.000 77.209 1.0000 0.0000 1.69492E-02 0.7002 0 1
17444 B 132.10101 66.000 77.223 1.0000 0.0000 1.51515E-02 0.6992 0 1
17445 B 132.10799 50.000 77.236 1.0000 0.0000 2.00000E-02 0.7002 0 1
17446 B 132.11501 61.000 77.250 1.0000 0.0000 1.63934E-02 0.7002 0 1
17447 B 132.12199 58.000 77.264 1.0000 0.0000 1.72414E-02 0.7002 0 1
17448 B 132.12900 59.000 77.277 1.0000 0.0000 1.69492E-02 0.7002 0 1
17449 B 132.13600 62.000 77.291 1.0000 0.0000 1.61290E-02 0.6992 0 1
17450 B 132.14299 65.000 77.304 1.0000 0.0000 1.53846E-02 0.7002 0 1
17451 B 132.14999 64.000 77.318 1.0000 0.0000 1.56250E-02 0.7002 0 1
17452 B 132.15700 52.000 77.332 1.0000 0.0000 1.92308E-02 0.7002 0 1
17453 B 132.16400 54.000 77.345 1.0000 0.0000 1.85185E-02 0.7002 0 1
17454 B 132.17101 60.000 77.359 1.0000 0.0000 1.66667E-02 0.6992 0 1
17455 B 132.17799 55.000 77.372 1.0000 0.0000 1.81818E-02 0.7002 0 1
17456 B 132.18500 61.000 77.386 1.0000 0.0000 1.63934E-02 0.7002 0 1
17457 B 132.19199 57.000 77.400 1.0000 0.0000 1.75439E-02 0.7002 0 1
17458 B 132.19901 56.000 77.413 1.0000 0.0000 1.78571E-02 0.7002 0 1
17459 B 132.20601 72.000 77.427 1.0000 0.0000 1.38889E-02 0.6992 0 1
17460 B 132.21298 58.000 77.440 1.0000 0.0000 1.72414E-02 0.7002 0 1
17461 B 132.22000 52.000 77.454 1.0000 0.0000 1.92308E-02 0.7002 0 1
17462 B 132.22699 67.000 77.468 1.0000 0.0000 1.49254E-02 0.7002 0 1
17463 B 132.23401 62.000 77.481 1.0000 0.0000 1.61290E-02 0.7002 0 1
17464 B 132.24101 67.000 77.495 1.0000 0.0000 1.49254E-02 0.6992 0 1
17465 B 132.24799 65.000 77.509 1.0000 0.0000 1.53846E-02 0.7002 0 1
17466 B 132.25500 69.000 77.522 1.0000 0.0000 1.44928E-02 0.7002 0 1
17467 B 132.26199 69.000 77.536 1.0000 0.0000 1.44928E-02 0.7002 0 1
17468 B 132.26900 56.000 77.550 1.0000 0.0000 1.78571E-02 0.7002 0 1
17469 B 132.27600 56.000 77.563 1.0000 0.0000 1.78571E-02 0.6992 0 1
17470 B 132.28299 60.000 77.577 1.0000 0.0000 1.66667E-02 0.7002 0 1
17471 B 132.28999 58.000 77.591 1.0000 0.0000 1.72414E-02 0.7002 0 1
17472 B 132.29700 56.000 77.604 1.0000 0.0000 1.78571E-02 0.7002 0 1
17473 B 132.30400 57.000 77.618 1.0000 0.0000 1.75439E-02 0.7002 0 1
17474 B 132.31100 67.000 77.632 1.0000 0.0000 1.49254E-02 0.6992 0 1
17475 B 132.31799 55.000 77.645 1.0000 0.0000 1.81818E-02 0.7002 0 1
17476 B 132.32500 49.000 77.659 1.0000 0.0000 2.04082E-02 0.7002 0 1
17477 B 132.33199 54.000 77.673 1.0000 0.0000 1.85185E-02 0.7002 0 1
17478 B 132.33900 73.000 77.686 1.0000 0.0000 1.36986E-02 0.7002 0 1
17479 B 132.34601 66.000 77.700 1.0000 0.0000 1.51515E-02 0.6992 0 1
17480 B 132.35298 59.000 77.714 1.0000 0.0000 1.69492E-02 0.7002 0 1
17481 B 132.36000 62.000 77.727 1.0000 0.0000 1.61290E-02 0.7002 0 1
17482 B 132.36699 63.000 77.741 1.0000 0.0000 1.58730E-02 0.7002 0 1
17483 B 132.37401 59.000 77.755 1.0000 0.0000 1.69492E-02 0.7002 0 1
17484 B 132.38101 63.000 77.769 1.0000 0.0000 1.58730E-02 0.6992 0 1
17485 B 132.38799 59.000 77.782 1.0000 0.0000 1.69492E-02 0.7002 0 1
17486 B 132.39500 67.000 77.796 1.0000 0.0000 1.49254E-02 0.7002 0 1
17487 B 132.40199 62.000 77.810 1.0000 0.0000 1.61290E-02 0.7002 0 1
17488 B 132.40900 70.000 77.823 1.0000 0.0000 1.42857E-02 0.7002 0 1
17489 B 132.41600 67.000 77.837 1.0000 0.0000 1.49254E-02 0.6992 0 1
17490 B 132.42299 65.000 77.851 1.0000 0.0000 1.53846E-02 0.7002 0 1
17491 B 132.42999 63.000 77.864 1.0000 0.0000 1.58730E-02 0.7002 0 1
17492 B 132.43700 72.000 77.878 1.0000 0.0000 1.38889E-02 0.7002 0 1
17493 B 132.44400 68.000 77.892 1.0000 0.0000 1.47059E-02 0.7002 0 1
17494 B 132.45100 54.000 77.906 1.0000 0.0000 1.85185E-02 0.6992 0 1
17495 B 132.45799 64.000 77.919 1.0000 0.0000 1.56250E-02 0.7002 0 1
17496 B 132.46500 61.000 77.933 1.0000 0.0000 1.63934E-02 0.7002 0 1
17497 B 132.47198 68.000 77.947 1.0000 0.0000 1.47059E-02 0.7002 0 1
17498 B 132.47900 68.000 77.961 1.0000 0.0000 1.47059E-02 0.7002 0 1
17499 B 132.48601 66.000 77.974 1.0000 0.0000 1.51515E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 309
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17500 B 132.49298 56.000 77.988 1.0000 0.0000 1.78571E-02 0.7002 0 1
17501 B 132.50000 66.000 78.002 1.0000 0.0000 1.51515E-02 0.7002 0 1
17502 B 132.50699 69.000 78.016 1.0000 0.0000 1.44928E-02 0.7002 0 1
17503 B 132.51401 57.000 78.029 1.0000 0.0000 1.75439E-02 0.7002 0 1
17504 B 132.52101 55.000 78.043 1.0000 0.0000 1.81818E-02 0.6992 0 1
17505 B 132.52798 56.000 78.057 1.0000 0.0000 1.78571E-02 0.7002 0 1
17506 B 132.53500 42.000 78.071 1.0000 0.0000 2.38095E-02 0.7002 0 1
17507 B 132.54199 55.000 78.084 1.0000 0.0000 1.81818E-02 0.7002 0 1
17508 B 132.54901 63.000 78.098 1.0000 0.0000 1.58730E-02 0.7002 0 1
17509 B 132.55600 65.000 78.112 1.0000 0.0000 1.53846E-02 0.6992 0 1
17510 B 132.56299 62.000 78.126 1.0000 0.0000 1.61290E-02 0.7002 0 1
17511 B 132.57001 75.000 78.140 1.0000 0.0000 1.33333E-02 0.7002 0 1
17512 B 132.57700 67.000 78.153 1.0000 0.0000 1.49254E-02 0.7002 0 1
17513 B 132.58400 61.000 78.167 1.0000 0.0000 1.63934E-02 0.7002 0 1
17514 B 132.59100 65.000 78.181 1.0000 0.0000 1.53846E-02 0.6992 0 1
17515 B 132.59799 60.000 78.195 1.0000 0.0000 1.66667E-02 0.7002 0 1
17516 B 132.60500 68.000 78.209 1.0000 0.0000 1.47059E-02 0.7002 0 1
17517 B 132.61200 74.000 78.222 1.0000 0.0000 1.35135E-02 0.7002 0 1
17518 B 132.61900 49.000 78.236 1.0000 0.0000 2.04082E-02 0.7002 0 1
17519 B 132.62601 66.000 78.250 1.0000 0.0000 1.51515E-02 0.6992 0 1
17520 B 132.63300 68.000 78.264 1.0000 0.0000 1.47059E-02 0.7002 0 1
17521 B 132.64000 74.000 78.278 1.0000 0.0000 1.35135E-02 0.7002 0 1
17522 B 132.64699 60.000 78.291 1.0000 0.0000 1.66667E-02 0.7002 0 1
17523 B 132.65401 58.000 78.305 1.0000 0.0000 1.72414E-02 0.7002 0 1
17524 B 132.66101 59.000 78.319 1.0000 0.0000 1.69492E-02 0.6992 0 1
17525 B 132.66798 59.000 78.333 1.0000 0.0000 1.69492E-02 0.7002 0 1
17526 B 132.67500 56.000 78.347 1.0000 0.0000 1.78571E-02 0.7002 0 1
17527 B 132.68199 57.000 78.361 1.0000 0.0000 1.75439E-02 0.7002 0 1
17528 B 132.68901 65.000 78.374 1.0000 0.0000 1.53846E-02 0.7002 0 1
17529 B 132.69600 57.000 78.388 1.0000 0.0000 1.75439E-02 0.6992 0 1
17530 B 132.70299 54.000 78.402 1.0000 0.0000 1.85185E-02 0.7002 0 1
17531 B 132.71001 74.000 78.416 1.0000 0.0000 1.35135E-02 0.7002 0 1
17532 B 132.71700 65.000 78.430 1.0000 0.0000 1.53846E-02 0.7002 0 1
17533 B 132.72400 64.000 78.444 1.0000 0.0000 1.56250E-02 0.7002 0 1
17534 B 132.73100 69.000 78.458 1.0000 0.0000 1.44928E-02 0.6992 0 1
17535 B 132.73799 62.000 78.471 1.0000 0.0000 1.61290E-02 0.7002 0 1
17536 B 132.74500 51.000 78.485 1.0000 0.0000 1.96078E-02 0.7002 0 1
17537 B 132.75200 62.000 78.499 1.0000 0.0000 1.61290E-02 0.7002 0 1
17538 B 132.75900 63.000 78.513 1.0000 0.0000 1.58730E-02 0.7002 0 1
17539 B 132.76601 62.000 78.527 1.0000 0.0000 1.61290E-02 0.6992 0 1
17540 B 132.77299 68.000 78.541 1.0000 0.0000 1.47059E-02 0.7002 0 1
17541 B 132.78000 63.000 78.555 1.0000 0.0000 1.58730E-02 0.7002 0 1
17542 B 132.78699 67.000 78.568 1.0000 0.0000 1.49254E-02 0.7002 0 1
17543 B 132.79401 59.000 78.582 1.0000 0.0000 1.69492E-02 0.7002 0 1
17544 B 132.80101 47.000 78.596 1.0000 0.0000 2.12766E-02 0.6992 0 1
17545 B 132.80798 59.000 78.610 1.0000 0.0000 1.69492E-02 0.7002 0 1
17546 B 132.81500 65.000 78.624 1.0000 0.0000 1.53846E-02 0.7002 0 1
17547 B 132.82199 69.000 78.638 1.0000 0.0000 1.44928E-02 0.7002 0 1
17548 B 132.82901 67.000 78.652 1.0000 0.0000 1.49254E-02 0.7002 0 1
17549 B 132.83600 67.000 78.666 1.0000 0.0000 1.49254E-02 0.6992 0 1
17550 B 132.84299 59.000 78.680 1.0000 0.0000 1.69492E-02 0.7002 0 1
17551 B 132.85001 69.000 78.694 1.0000 0.0000 1.44928E-02 0.7002 0 1
17552 B 132.85699 60.000 78.707 1.0000 0.0000 1.66667E-02 0.7002 0 1
17553 B 132.86400 69.000 78.721 1.0000 0.0000 1.44928E-02 0.7002 0 1
17554 B 132.87100 65.000 78.735 1.0000 0.0000 1.53846E-02 0.6992 0 1
17555 B 132.87799 68.000 78.749 1.0000 0.0000 1.47059E-02 0.7002 0 1
17556 B 132.88499 54.000 78.763 1.0000 0.0000 1.85185E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 310
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17557 B 132.89200 71.000 78.777 1.0000 0.0000 1.40845E-02 0.7002 0 1
17558 B 132.89900 74.000 78.791 1.0000 0.0000 1.35135E-02 0.7002 0 1
17559 B 132.90601 63.000 78.805 1.0000 0.0000 1.58730E-02 0.6992 0 1
17560 B 132.91299 63.000 78.819 1.0000 0.0000 1.58730E-02 0.7002 0 1
17561 B 132.92000 64.000 78.833 1.0000 0.0000 1.56250E-02 0.7002 0 1
17562 B 132.92699 58.000 78.847 1.0000 0.0000 1.72414E-02 0.7002 0 1
17563 B 132.93401 59.000 78.861 1.0000 0.0000 1.69492E-02 0.7002 0 1
17564 B 132.94101 67.000 78.875 1.0000 0.0000 1.49254E-02 0.6992 0 1
17565 B 132.94798 59.000 78.888 1.0000 0.0000 1.69492E-02 0.7002 0 1
17566 B 132.95500 54.000 78.902 1.0000 0.0000 1.85185E-02 0.7002 0 1
17567 B 132.96199 69.000 78.916 1.0000 0.0000 1.44928E-02 0.7002 0 1
17568 B 132.96901 62.000 78.930 1.0000 0.0000 1.61290E-02 0.7002 0 1
17569 B 132.97601 56.000 78.944 1.0000 0.0000 1.78571E-02 0.6992 0 1
17570 B 132.98299 62.000 78.958 1.0000 0.0000 1.61290E-02 0.7002 0 1
17571 B 132.99001 61.000 78.972 1.0000 0.0000 1.63934E-02 0.7002 0 1
17572 B 132.99699 67.000 78.986 1.0000 0.0000 1.49254E-02 0.7002 0 1
17573 B 133.00400 60.000 79.000 1.0000 0.0000 1.66667E-02 0.7002 0 1
17574 B 133.01100 56.000 79.014 1.0000 0.0000 1.78571E-02 0.6992 0 1
17575 B 133.01799 56.000 79.028 1.0000 0.0000 1.78571E-02 0.7002 0 1
17576 B 133.02499 70.000 79.042 1.0000 0.0000 1.42857E-02 0.7002 0 1
17577 B 133.03200 75.000 79.056 1.0000 0.0000 1.33333E-02 0.7002 0 1
17578 B 133.03900 64.000 79.070 1.0000 0.0000 1.56250E-02 0.7002 0 1
17579 B 133.04601 67.000 79.084 1.0000 0.0000 1.49254E-02 0.6992 0 1
17580 B 133.05299 60.000 79.098 1.0000 0.0000 1.66667E-02 0.7002 0 1
17581 B 133.06000 67.000 79.112 1.0000 0.0000 1.49254E-02 0.7002 0 1
17582 B 133.06699 65.000 79.126 1.0000 0.0000 1.53846E-02 0.7002 0 1
17583 B 133.07401 66.000 79.140 1.0000 0.0000 1.51515E-02 0.7002 0 1
17584 B 133.08101 69.000 79.154 1.0000 0.0000 1.44928E-02 0.6992 0 1
17585 B 133.08798 56.000 79.168 1.0000 0.0000 1.78571E-02 0.7002 0 1
17586 B 133.09500 68.000 79.182 1.0000 0.0000 1.47059E-02 0.7002 0 1
17587 B 133.10199 60.000 79.196 1.0000 0.0000 1.66667E-02 0.7002 0 1
17588 B 133.10901 61.000 79.210 1.0000 0.0000 1.63934E-02 0.7002 0 1
17589 B 133.11601 70.000 79.224 1.0000 0.0000 1.42857E-02 0.6992 0 1
17590 B 133.12299 65.000 79.238 1.0000 0.0000 1.53846E-02 0.7002 0 1
17591 B 133.13000 68.000 79.252 1.0000 0.0000 1.47059E-02 0.7002 0 1
17592 B 133.13699 61.000 79.266 1.0000 0.0000 1.63934E-02 0.7002 0 1
17593 B 133.14400 52.000 79.280 1.0000 0.0000 1.92308E-02 0.7002 0 1
17594 B 133.15100 53.000 79.294 1.0000 0.0000 1.88679E-02 0.6992 0 1
17595 B 133.15799 65.000 79.308 1.0000 0.0000 1.53846E-02 0.7002 0 1
17596 B 133.16499 71.000 79.323 1.0000 0.0000 1.40845E-02 0.7002 0 1
17597 B 133.17200 83.000 79.337 1.0000 0.0000 1.20482E-02 0.7002 0 1
17598 B 133.17900 65.000 79.351 1.0000 0.0000 1.53846E-02 0.7002 0 1
17599 B 133.18600 59.000 79.365 1.0000 0.0000 1.69492E-02 0.6992 0 1
17600 B 133.19299 51.000 79.379 1.0000 0.0000 1.96078E-02 0.7002 0 1
17601 B 133.20000 55.000 79.393 1.0000 0.0000 1.81818E-02 0.7002 0 1
17602 B 133.20699 55.000 79.407 1.0000 0.0000 1.81818E-02 0.7002 0 1
17603 B 133.21400 68.000 79.421 1.0000 0.0000 1.47059E-02 0.7002 0 1
17604 B 133.22101 66.000 79.435 1.0000 0.0000 1.51515E-02 0.6992 0 1
17605 B 133.22798 68.000 79.449 1.0000 0.0000 1.47059E-02 0.7002 0 1
17606 B 133.23500 66.000 79.463 1.0000 0.0000 1.51515E-02 0.7002 0 1
17607 B 133.24199 71.000 79.477 1.0000 0.0000 1.40845E-02 0.7002 0 1
17608 B 133.24901 64.000 79.491 1.0000 0.0000 1.56250E-02 0.7002 0 1
17609 B 133.25601 64.000 79.505 1.0000 0.0000 1.56250E-02 0.6992 0 1
17610 B 133.26299 67.000 79.519 1.0000 0.0000 1.49254E-02 0.7002 0 1
17611 B 133.27000 53.000 79.534 1.0000 0.0000 1.88679E-02 0.7002 0 1
17612 B 133.27699 71.000 79.548 1.0000 0.0000 1.40845E-02 0.7002 0 1
17613 B 133.28400 62.000 79.562 1.0000 0.0000 1.61290E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 311
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17614 B 133.29100 80.000 79.576 1.0000 0.0000 1.25000E-02 0.6992 0 1
17615 B 133.29799 62.000 79.590 1.0000 0.0000 1.61290E-02 0.7002 0 1
17616 B 133.30499 71.000 79.604 1.0000 0.0000 1.40845E-02 0.7002 0 1
17617 B 133.31200 70.000 79.618 1.0000 0.0000 1.42857E-02 0.7002 0 1
17618 B 133.31900 63.000 79.632 1.0000 0.0000 1.58730E-02 0.7002 0 1
17619 B 133.32600 58.000 79.646 1.0000 0.0000 1.72414E-02 0.6992 0 1
17620 B 133.33299 61.000 79.661 1.0000 0.0000 1.63934E-02 0.7002 0 1
17621 B 133.34000 63.000 79.675 1.0000 0.0000 1.58730E-02 0.7002 0 1
17622 B 133.34698 66.000 79.689 1.0000 0.0000 1.51515E-02 0.7002 0 1
17623 B 133.35400 72.000 79.703 1.0000 0.0000 1.38889E-02 0.7002 0 1
17624 B 133.36101 72.000 79.717 1.0000 0.0000 1.38889E-02 0.6992 0 1
17625 B 133.36798 70.000 79.731 1.0000 0.0000 1.42857E-02 0.7002 0 1
17626 B 133.37500 62.000 79.745 1.0000 0.0000 1.61290E-02 0.7002 0 1
17627 B 133.38199 75.000 79.759 1.0000 0.0000 1.33333E-02 0.7002 0 1
17628 B 133.38901 61.000 79.774 1.0000 0.0000 1.63934E-02 0.7002 0 1
17629 B 133.39601 66.000 79.788 1.0000 0.0000 1.51515E-02 0.6992 0 1
17630 B 133.40298 49.000 79.802 1.0000 0.0000 2.04082E-02 0.7002 0 1
17631 B 133.41000 58.000 79.816 1.0000 0.0000 1.72414E-02 0.7002 0 1
17632 B 133.41699 72.000 79.830 1.0000 0.0000 1.38889E-02 0.7002 0 1
17633 B 133.42401 73.000 79.844 1.0000 0.0000 1.36986E-02 0.7002 0 1
17634 B 133.43100 76.000 79.859 1.0000 0.0000 1.31579E-02 0.6992 0 1
17635 B 133.43799 74.000 79.873 1.0000 0.0000 1.35135E-02 0.7002 0 1
17636 B 133.44501 69.000 79.887 1.0000 0.0000 1.44928E-02 0.7002 0 1
17637 B 133.45200 63.000 79.901 1.0000 0.0000 1.58730E-02 0.7002 0 1
17638 B 133.45900 56.000 79.915 1.0000 0.0000 1.78571E-02 0.7002 0 1
17639 B 133.46600 55.000 79.929 1.0000 0.0000 1.81818E-02 0.6992 0 1
17640 B 133.47299 72.000 79.944 1.0000 0.0000 1.38889E-02 0.7002 0 1
17641 B 133.48000 75.000 79.958 1.0000 0.0000 1.33333E-02 0.7002 0 1
17642 B 133.48700 77.000 79.972 1.0000 0.0000 1.29870E-02 0.7002 0 1
17643 B 133.49400 58.000 79.986 1.0000 0.0000 1.72414E-02 0.7002 0 1
17644 B 133.50101 60.000 80.000 1.0000 0.0000 1.66667E-02 0.6992 0 1
17645 B 133.50800 54.000 80.015 1.0000 0.0000 1.85185E-02 0.7002 0 1
17646 B 133.51500 58.000 80.029 1.0000 0.0000 1.72414E-02 0.7002 0 1
17647 B 133.52199 52.000 80.043 1.0000 0.0000 1.92308E-02 0.7002 0 1
17648 B 133.52901 60.000 80.057 1.0000 0.0000 1.66667E-02 0.7002 0 1
17649 B 133.53601 59.000 80.071 1.0000 0.0000 1.69492E-02 0.6992 0 1
17650 B 133.54298 62.000 80.086 1.0000 0.0000 1.61290E-02 0.7002 0 1
17651 B 133.55000 67.000 80.100 1.0000 0.0000 1.49254E-02 0.7002 0 1
17652 B 133.55699 74.000 80.114 1.0000 0.0000 1.35135E-02 0.7002 0 1
17653 B 133.56401 74.000 80.128 1.0000 0.0000 1.35135E-02 0.7002 0 1
17654 B 133.57100 80.000 80.142 1.0000 0.0000 1.25000E-02 0.6992 0 1
17655 B 133.57799 68.000 80.157 1.0000 0.0000 1.47059E-02 0.7002 0 1
17656 B 133.58501 57.000 80.171 1.0000 0.0000 1.75439E-02 0.7002 0 1
17657 B 133.59200 69.000 80.185 1.0000 0.0000 1.44928E-02 0.7002 0 1
17658 B 133.59900 62.000 80.199 1.0000 0.0000 1.61290E-02 0.7002 0 1
17659 B 133.60600 64.000 80.214 1.0000 0.0000 1.56250E-02 0.6992 0 1
17660 B 133.61299 68.000 80.228 1.0000 0.0000 1.47059E-02 0.7002 0 1
17661 B 133.62000 60.000 80.242 1.0000 0.0000 1.66667E-02 0.7002 0 1
17662 B 133.62700 80.000 80.256 1.0000 0.0000 1.25000E-02 0.7002 0 1
17663 B 133.63400 68.000 80.271 1.0000 0.0000 1.47059E-02 0.7002 0 1
17664 B 133.64101 62.000 80.285 1.0000 0.0000 1.61290E-02 0.6992 0 1
17665 B 133.64799 77.000 80.299 1.0000 0.0000 1.29870E-02 0.7002 0 1
17666 B 133.65500 71.000 80.313 1.0000 0.0000 1.40845E-02 0.7002 0 1
17667 B 133.66199 72.000 80.328 1.0000 0.0000 1.38889E-02 0.7002 0 1
17668 B 133.66901 73.000 80.342 1.0000 0.0000 1.36986E-02 0.7002 0 1
17669 B 133.67601 68.000 80.356 1.0000 0.0000 1.47059E-02 0.6992 0 1
17670 B 133.68298 76.000 80.370 1.0000 0.0000 1.31579E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 312
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17671 B 133.69000 63.000 80.385 1.0000 0.0000 1.58730E-02 0.7002 0 1
17672 B 133.69699 73.000 80.399 1.0000 0.0000 1.36986E-02 0.7002 0 1
17673 B 133.70401 63.000 80.413 1.0000 0.0000 1.58730E-02 0.7002 0 1
17674 B 133.71100 62.000 80.428 1.0000 0.0000 1.61290E-02 0.6992 0 1
17675 B 133.71799 77.000 80.442 1.0000 0.0000 1.29870E-02 0.7002 0 1
17676 B 133.72501 55.000 80.456 1.0000 0.0000 1.81818E-02 0.7002 0 1
17677 B 133.73199 77.000 80.470 1.0000 0.0000 1.29870E-02 0.7002 0 1
17678 B 133.73900 66.000 80.485 1.0000 0.0000 1.51515E-02 0.7002 0 1
17679 B 133.74600 70.000 80.499 1.0000 0.0000 1.42857E-02 0.6992 0 1
17680 B 133.75299 63.000 80.513 1.0000 0.0000 1.58730E-02 0.7002 0 1
17681 B 133.75999 62.000 80.528 1.0000 0.0000 1.61290E-02 0.7002 0 1
17682 B 133.76700 73.000 80.542 1.0000 0.0000 1.36986E-02 0.7002 0 1
17683 B 133.77400 70.000 80.556 1.0000 0.0000 1.42857E-02 0.7002 0 1
17684 B 133.78101 79.000 80.571 1.0000 0.0000 1.26582E-02 0.6992 0 1
17685 B 133.78799 76.000 80.585 1.0000 0.0000 1.31579E-02 0.7002 0 1
17686 B 133.79500 72.000 80.599 1.0000 0.0000 1.38889E-02 0.7002 0 1
17687 B 133.80199 69.000 80.614 1.0000 0.0000 1.44928E-02 0.7002 0 1
17688 B 133.80901 72.000 80.628 1.0000 0.0000 1.38889E-02 0.7002 0 1
17689 B 133.81601 66.000 80.642 1.0000 0.0000 1.51515E-02 0.6992 0 1
17690 B 133.82298 51.000 80.657 1.0000 0.0000 1.96078E-02 0.7002 0 1
17691 B 133.83000 62.000 80.671 1.0000 0.0000 1.61290E-02 0.7002 0 1
17692 B 133.83699 73.000 80.685 1.0000 0.0000 1.36986E-02 0.7002 0 1
17693 B 133.84401 67.000 80.700 1.0000 0.0000 1.49254E-02 0.7002 0 1
17694 B 133.85101 75.000 80.714 1.0000 0.0000 1.33333E-02 0.6992 0 1
17695 B 133.85799 75.000 80.728 1.0000 0.0000 1.33333E-02 0.7002 0 1
17696 B 133.86501 64.000 80.743 1.0000 0.0000 1.56250E-02 0.7002 0 1
17697 B 133.87199 60.000 80.757 1.0000 0.0000 1.66667E-02 0.7002 0 1
17698 B 133.87900 58.000 80.771 1.0000 0.0000 1.72414E-02 0.7002 0 1
17699 B 133.88600 62.000 80.786 1.0000 0.0000 1.61290E-02 0.6992 0 1
17700 B 133.89299 70.000 80.800 1.0000 0.0000 1.42857E-02 0.7002 0 1
17701 B 133.89999 74.000 80.814 1.0000 0.0000 1.35135E-02 0.7002 0 1
17702 B 133.90700 74.000 80.829 1.0000 0.0000 1.35135E-02 0.7002 0 1
17703 B 133.91400 65.000 80.843 1.0000 0.0000 1.53846E-02 0.7002 0 1
17704 B 133.92101 71.000 80.858 1.0000 0.0000 1.40845E-02 0.6992 0 1
17705 B 133.92799 60.000 80.872 1.0000 0.0000 1.66667E-02 0.7002 0 1
17706 B 133.93500 80.000 80.886 1.0000 0.0000 1.25000E-02 0.7002 0 1
17707 B 133.94199 65.000 80.901 1.0000 0.0000 1.53846E-02 0.7002 0 1
17708 B 133.94901 68.000 80.915 1.0000 0.0000 1.47059E-02 0.7002 0 1
17709 B 133.95601 60.000 80.930 1.0000 0.0000 1.66667E-02 0.6992 0 1
17710 B 133.96298 75.000 80.944 1.0000 0.0000 1.33333E-02 0.7002 0 1
17711 B 133.97000 73.000 80.958 1.0000 0.0000 1.36986E-02 0.7002 0 1
17712 B 133.97699 72.000 80.973 1.0000 0.0000 1.38889E-02 0.7002 0 1
17713 B 133.98401 65.000 80.987 1.0000 0.0000 1.53846E-02 0.7002 0 1
17714 B 133.99101 74.000 81.002 1.0000 0.0000 1.35135E-02 0.6992 0 1
17715 B 133.99799 83.000 81.016 1.0000 0.0000 1.20482E-02 0.7002 0 1
17716 B 134.00500 70.000 81.030 1.0000 0.0000 1.42857E-02 0.7002 0 1
17717 B 134.01199 75.000 81.045 1.0000 0.0000 1.33333E-02 0.7002 0 1
17718 B 134.01900 76.000 81.059 1.0000 0.0000 1.31579E-02 0.7002 0 1
17719 B 134.02600 69.000 81.074 1.0000 0.0000 1.44928E-02 0.6992 0 1
17720 B 134.03299 79.000 81.088 1.0000 0.0000 1.26582E-02 0.7002 0 1
17721 B 134.03999 89.000 81.102 1.0000 0.0000 1.12360E-02 0.7002 0 1
17722 B 134.04700 68.000 81.117 1.0000 0.0000 1.47059E-02 0.7002 0 1
17723 B 134.05400 62.000 81.131 1.0000 0.0000 1.61290E-02 0.7002 0 1
17724 B 134.06100 73.000 81.146 1.0000 0.0000 1.36986E-02 0.6992 0 1
17725 B 134.06799 70.000 81.160 1.0000 0.0000 1.42857E-02 0.7002 0 1
17726 B 134.07500 73.000 81.175 1.0000 0.0000 1.36986E-02 0.7002 0 1
17727 B 134.08199 69.000 81.189 1.0000 0.0000 1.44928E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 313
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17728 B 134.08900 61.000 81.204 1.0000 0.0000 1.63934E-02 0.7002 0 1
17729 B 134.09601 63.000 81.218 1.0000 0.0000 1.58730E-02 0.6992 0 1
17730 B 134.10298 65.000 81.232 1.0000 0.0000 1.53846E-02 0.7002 0 1
17731 B 134.11000 57.000 81.247 1.0000 0.0000 1.75439E-02 0.7002 0 1
17732 B 134.11699 56.000 81.261 1.0000 0.0000 1.78571E-02 0.7002 0 1
17733 B 134.12401 56.000 81.276 1.0000 0.0000 1.78571E-02 0.7002 0 1
17734 B 134.13101 68.000 81.290 1.0000 0.0000 1.47059E-02 0.6992 0 1
17735 B 134.13799 81.000 81.305 1.0000 0.0000 1.23457E-02 0.7002 0 1
17736 B 134.14500 53.000 81.319 1.0000 0.0000 1.88679E-02 0.7002 0 1
17737 B 134.15199 71.000 81.334 1.0000 0.0000 1.40845E-02 0.7002 0 1
17738 B 134.15900 72.000 81.348 1.0000 0.0000 1.38889E-02 0.7002 0 1
17739 B 134.16600 78.000 81.363 1.0000 0.0000 1.28205E-02 0.6992 0 1
17740 B 134.17299 66.000 81.377 1.0000 0.0000 1.51515E-02 0.7002 0 1
17741 B 134.17999 72.000 81.392 1.0000 0.0000 1.38889E-02 0.7002 0 1
17742 B 134.18700 71.000 81.406 1.0000 0.0000 1.40845E-02 0.7002 0 1
17743 B 134.19400 75.000 81.421 1.0000 0.0000 1.33333E-02 0.7002 0 1
17744 B 134.20100 70.000 81.435 1.0000 0.0000 1.42857E-02 0.6992 0 1
17745 B 134.20799 68.000 81.450 1.0000 0.0000 1.47059E-02 0.7002 0 1
17746 B 134.21500 68.000 81.464 1.0000 0.0000 1.47059E-02 0.7002 0 1
17747 B 134.22198 71.000 81.479 1.0000 0.0000 1.40845E-02 0.7002 0 1
17748 B 134.22900 73.000 81.493 1.0000 0.0000 1.36986E-02 0.7002 0 1
17749 B 134.23601 88.000 81.508 1.0000 0.0000 1.13636E-02 0.6992 0 1
17750 B 134.24298 75.000 81.522 1.0000 0.0000 1.33333E-02 0.7002 0 1
17751 B 134.25000 75.000 81.537 1.0000 0.0000 1.33333E-02 0.7002 0 1
17752 B 134.25699 71.000 81.551 1.0000 0.0000 1.40845E-02 0.7002 0 1
17753 B 134.26401 91.000 81.566 1.0000 0.0000 1.09890E-02 0.7002 0 1
17754 B 134.27101 67.000 81.580 1.0000 0.0000 1.49254E-02 0.6992 0 1
17755 B 134.27798 85.000 81.595 1.0000 0.0000 1.17647E-02 0.7002 0 1
17756 B 134.28500 80.000 81.609 1.0000 0.0000 1.25000E-02 0.7002 0 1
17757 B 134.29199 79.000 81.624 1.0000 0.0000 1.26582E-02 0.7002 0 1
17758 B 134.29901 72.000 81.639 1.0000 0.0000 1.38889E-02 0.7002 0 1
17759 B 134.30600 67.000 81.653 1.0000 0.0000 1.49254E-02 0.6992 0 1
17760 B 134.31299 70.000 81.668 1.0000 0.0000 1.42857E-02 0.7002 0 1
17761 B 134.32001 73.000 81.682 1.0000 0.0000 1.36986E-02 0.7002 0 1
17762 B 134.32700 77.000 81.697 1.0000 0.0000 1.29870E-02 0.7002 0 1
17763 B 134.33400 78.000 81.711 1.0000 0.0000 1.28205E-02 0.7002 0 1
17764 B 134.34100 62.000 81.726 1.0000 0.0000 1.61290E-02 0.6992 0 1
17765 B 134.34799 81.000 81.740 1.0000 0.0000 1.23457E-02 0.7002 0 1
17766 B 134.35500 73.000 81.755 1.0000 0.0000 1.36986E-02 0.7002 0 1
17767 B 134.36200 67.000 81.770 1.0000 0.0000 1.49254E-02 0.7002 0 1
17768 B 134.36900 70.000 81.784 1.0000 0.0000 1.42857E-02 0.7002 0 1
17769 B 134.37601 85.000 81.799 1.0000 0.0000 1.17647E-02 0.6992 0 1
17770 B 134.38300 74.000 81.813 1.0000 0.0000 1.35135E-02 0.7002 0 1
17771 B 134.39000 81.000 81.828 1.0000 0.0000 1.23457E-02 0.7002 0 1
17772 B 134.39699 68.000 81.842 1.0000 0.0000 1.47059E-02 0.7002 0 1
17773 B 134.40401 76.000 81.857 1.0000 0.0000 1.31579E-02 0.7002 0 1
17774 B 134.41101 75.000 81.872 1.0000 0.0000 1.33333E-02 0.6992 0 1
17775 B 134.41798 63.000 81.886 1.0000 0.0000 1.58730E-02 0.7002 0 1
17776 B 134.42500 63.000 81.901 1.0000 0.0000 1.58730E-02 0.7002 0 1
17777 B 134.43199 78.000 81.915 1.0000 0.0000 1.28205E-02 0.7002 0 1
17778 B 134.43901 83.000 81.930 1.0000 0.0000 1.20482E-02 0.7002 0 1
17779 B 134.44600 78.000 81.945 1.0000 0.0000 1.28205E-02 0.6992 0 1
17780 B 134.45299 74.000 81.959 1.0000 0.0000 1.35135E-02 0.7002 0 1
17781 B 134.46001 72.000 81.974 1.0000 0.0000 1.38889E-02 0.7002 0 1
17782 B 134.46700 73.000 81.989 1.0000 0.0000 1.36986E-02 0.7002 0 1
17783 B 134.47400 58.000 82.003 1.0000 0.0000 1.72414E-02 0.7002 0 1
17784 B 134.48100 74.000 82.018 1.0000 0.0000 1.35135E-02 0.6992 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 314
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17785 B 134.48799 79.000 82.032 1.0000 0.0000 1.26582E-02 0.7002 0 1
17786 B 134.49500 70.000 82.047 1.0000 0.0000 1.42857E-02 0.7002 0 1
17787 B 134.50200 68.000 82.062 1.0000 0.0000 1.47059E-02 0.7002 0 1
17788 B 134.50900 67.000 82.076 1.0000 0.0000 1.49254E-02 0.7002 0 1
17789 B 134.51601 68.000 82.091 1.0000 0.0000 1.47059E-02 0.6992 0 1
17790 B 134.52299 67.000 82.106 1.0000 0.0000 1.49254E-02 0.7002 0 1
17791 B 134.53000 67.000 82.120 1.0000 0.0000 1.49254E-02 0.7002 0 1
17792 B 134.53699 69.000 82.135 1.0000 0.0000 1.44928E-02 0.7002 0 1
17793 B 134.54401 59.000 82.150 1.0000 0.0000 1.69492E-02 0.7002 0 1
17794 B 134.55101 76.000 82.164 1.0000 0.0000 1.31579E-02 0.6992 0 1
17795 B 134.55798 73.000 82.179 1.0000 0.0000 1.36986E-02 0.7002 0 1
17796 B 134.56500 64.000 82.194 1.0000 0.0000 1.56250E-02 0.7002 0 1
17797 B 134.57199 82.000 82.208 1.0000 0.0000 1.21951E-02 0.7002 0 1
17798 B 134.57901 85.000 82.223 1.0000 0.0000 1.17647E-02 0.7002 0 1
17799 B 134.58600 84.000 82.238 1.0000 0.0000 1.19048E-02 0.6992 0 1
17800 B 134.59299 75.000 82.252 1.0000 0.0000 1.33333E-02 0.7002 0 1
17801 B 134.60001 79.000 82.267 1.0000 0.0000 1.26582E-02 0.7002 0 1
17802 B 134.60699 71.000 82.282 1.0000 0.0000 1.40845E-02 0.7002 0 1
17803 B 134.61400 73.000 82.296 1.0000 0.0000 1.36986E-02 0.7002 0 1
17804 B 134.62100 69.000 82.311 1.0000 0.0000 1.44928E-02 0.6992 0 1
17805 B 134.62799 81.000 82.326 1.0000 0.0000 1.23457E-02 0.7002 0 1
17806 B 134.63499 85.000 82.340 1.0000 0.0000 1.17647E-02 0.7002 0 1
17807 B 134.64200 69.000 82.355 1.0000 0.0000 1.44928E-02 0.7002 0 1
17808 B 134.64900 82.000 82.370 1.0000 0.0000 1.21951E-02 0.7002 0 1
17809 B 134.65601 70.000 82.384 1.0000 0.0000 1.42857E-02 0.6992 0 1
17810 B 134.66299 65.000 82.399 1.0000 0.0000 1.53846E-02 0.7002 0 1
17811 B 134.67000 70.000 82.414 1.0000 0.0000 1.42857E-02 0.7002 0 1
17812 B 134.67699 86.000 82.428 1.0000 0.0000 1.16279E-02 0.7002 0 1
17813 B 134.68401 69.000 82.443 1.0000 0.0000 1.44928E-02 0.7002 0 1
17814 B 134.69101 79.000 82.458 1.0000 0.0000 1.26582E-02 0.6992 0 1
17815 B 134.69798 62.000 82.473 1.0000 0.0000 1.61290E-02 0.7002 0 1
17816 B 134.70500 71.000 82.487 1.0000 0.0000 1.40845E-02 0.7002 0 1
17817 B 134.71199 70.000 82.502 1.0000 0.0000 1.42857E-02 0.7002 0 1
17818 B 134.71901 73.000 82.517 1.0000 0.0000 1.36986E-02 0.7002 0 1
17819 B 134.72601 73.000 82.532 1.0000 0.0000 1.36986E-02 0.6992 0 1
17820 B 134.73299 75.000 82.546 1.0000 0.0000 1.33333E-02 0.7002 0 1
17821 B 134.74001 65.000 82.561 1.0000 0.0000 1.53846E-02 0.7002 0 1
17822 B 134.74699 71.000 82.576 1.0000 0.0000 1.40845E-02 0.7002 0 1
17823 B 134.75400 72.000 82.591 1.0000 0.0000 1.38889E-02 0.7002 0 1
17824 B 134.76100 76.000 82.605 1.0000 0.0000 1.31579E-02 0.6992 0 1
17825 B 134.76799 80.000 82.620 1.0000 0.0000 1.25000E-02 0.7002 0 1
17826 B 134.77499 71.000 82.635 1.0000 0.0000 1.40845E-02 0.7002 0 1
17827 B 134.78200 84.000 82.650 1.0000 0.0000 1.19048E-02 0.7002 0 1
17828 B 134.78900 89.000 82.664 1.0000 0.0000 1.12360E-02 0.7002 0 1
17829 B 134.79601 81.000 82.679 1.0000 0.0000 1.23457E-02 0.6992 0 1
17830 B 134.80299 89.000 82.694 1.0000 0.0000 1.12360E-02 0.7002 0 1
17831 B 134.81000 80.000 82.709 1.0000 0.0000 1.25000E-02 0.7002 0 1
17832 B 134.81699 85.000 82.723 1.0000 0.0000 1.17647E-02 0.7002 0 1
17833 B 134.82401 67.000 82.738 1.0000 0.0000 1.49254E-02 0.7002 0 1
17834 B 134.83101 80.000 82.753 1.0000 0.0000 1.25000E-02 0.6992 0 1
17835 B 134.83798 81.000 82.768 1.0000 0.0000 1.23457E-02 0.7002 0 1
17836 B 134.84500 68.000 82.782 1.0000 0.0000 1.47059E-02 0.7002 0 1
17837 B 134.85199 84.000 82.797 1.0000 0.0000 1.19048E-02 0.7002 0 1
17838 B 134.85901 75.000 82.812 1.0000 0.0000 1.33333E-02 0.7002 0 1
17839 B 134.86601 78.000 82.827 1.0000 0.0000 1.28205E-02 0.6992 0 1
17840 B 134.87299 85.000 82.842 1.0000 0.0000 1.17647E-02 0.7002 0 1
17841 B 134.88000 77.000 82.856 1.0000 0.0000 1.29870E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 315
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17842 B 134.88699 71.000 82.871 1.0000 0.0000 1.40845E-02 0.7002 0 1
17843 B 134.89400 85.000 82.886 1.0000 0.0000 1.17647E-02 0.7002 0 1
17844 B 134.90100 80.000 82.901 1.0000 0.0000 1.25000E-02 0.6992 0 1
17845 B 134.90799 71.000 82.916 1.0000 0.0000 1.40845E-02 0.7002 0 1
17846 B 134.91499 71.000 82.930 1.0000 0.0000 1.40845E-02 0.7002 0 1
17847 B 134.92200 70.000 82.945 1.0000 0.0000 1.42857E-02 0.7002 0 1
17848 B 134.92900 79.000 82.960 1.0000 0.0000 1.26582E-02 0.7002 0 1
17849 B 134.93600 80.000 82.975 1.0000 0.0000 1.25000E-02 0.6992 0 1
17850 B 134.94299 73.000 82.990 1.0000 0.0000 1.36986E-02 0.7002 0 1
17851 B 134.95000 81.000 83.005 1.0000 0.0000 1.23457E-02 0.7002 0 1
17852 B 134.95699 67.000 83.019 1.0000 0.0000 1.49254E-02 0.7002 0 1
17853 B 134.96400 75.000 83.034 1.0000 0.0000 1.33333E-02 0.7002 0 1
17854 B 134.97101 72.000 83.049 1.0000 0.0000 1.38889E-02 0.6992 0 1
17855 B 134.97798 64.000 83.064 1.0000 0.0000 1.56250E-02 0.7002 0 1
17856 B 134.98500 75.000 83.079 1.0000 0.0000 1.33333E-02 0.7002 0 1
17857 B 134.99199 72.000 83.094 1.0000 0.0000 1.38889E-02 0.7002 0 1
17858 B 134.99901 75.000 83.109 1.0000 0.0000 1.33333E-02 0.7002 0 1
17859 B 135.00601 68.000 83.123 1.0000 0.0000 1.47059E-02 0.6992 0 1
17860 B 135.01299 85.000 83.138 1.0000 0.0000 1.17647E-02 0.7002 0 1
17861 B 135.02000 80.000 83.153 1.0000 0.0000 1.25000E-02 0.7002 0 1
17862 B 135.02699 72.000 83.168 1.0000 0.0000 1.38889E-02 0.7002 0 1
17863 B 135.03400 76.000 83.183 1.0000 0.0000 1.31579E-02 0.7002 0 1
17864 B 135.04100 82.000 83.198 1.0000 0.0000 1.21951E-02 0.6992 0 1
17865 B 135.04799 87.000 83.213 1.0000 0.0000 1.14943E-02 0.7002 0 1
17866 B 135.05499 80.000 83.227 1.0000 0.0000 1.25000E-02 0.7002 0 1
17867 B 135.06200 79.000 83.242 1.0000 0.0000 1.26582E-02 0.7002 0 1
17868 B 135.06900 86.000 83.257 1.0000 0.0000 1.16279E-02 0.7002 0 1
17869 B 135.07600 91.000 83.272 1.0000 0.0000 1.09890E-02 0.6992 0 1
17870 B 135.08299 86.000 83.287 1.0000 0.0000 1.16279E-02 0.7002 0 1
17871 B 135.09000 76.000 83.302 1.0000 0.0000 1.31579E-02 0.7002 0 1
17872 B 135.09698 70.000 83.317 1.0000 0.0000 1.42857E-02 0.7002 0 1
17873 B 135.10400 82.000 83.332 1.0000 0.0000 1.21951E-02 0.7002 0 1
17874 B 135.11101 93.000 83.347 1.0000 0.0000 1.07527E-02 0.6992 0 1
17875 B 135.11798 77.000 83.361 1.0000 0.0000 1.29870E-02 0.7002 0 1
17876 B 135.12500 74.000 83.376 1.0000 0.0000 1.35135E-02 0.7002 0 1
17877 B 135.13199 85.000 83.391 1.0000 0.0000 1.17647E-02 0.7002 0 1
17878 B 135.13901 72.000 83.406 1.0000 0.0000 1.38889E-02 0.7002 0 1
17879 B 135.14601 78.000 83.421 1.0000 0.0000 1.28205E-02 0.6992 0 1
17880 B 135.15298 86.000 83.436 1.0000 0.0000 1.16279E-02 0.7002 0 1
17881 B 135.16000 72.000 83.451 1.0000 0.0000 1.38889E-02 0.7002 0 1
17882 B 135.16699 75.000 83.466 1.0000 0.0000 1.33333E-02 0.7002 0 1
17883 B 135.17401 91.000 83.481 1.0000 0.0000 1.09890E-02 0.7002 0 1
17884 B 135.18100 81.000 83.496 1.0000 0.0000 1.23457E-02 0.6992 0 1
17885 B 135.18799 78.000 83.511 1.0000 0.0000 1.28205E-02 0.7002 0 1
17886 B 135.19501 79.000 83.526 1.0000 0.0000 1.26582E-02 0.7002 0 1
17887 B 135.20200 74.000 83.541 1.0000 0.0000 1.35135E-02 0.7002 0 1
17888 B 135.20900 84.000 83.555 1.0000 0.0000 1.19048E-02 0.7002 0 1
17889 B 135.21600 77.000 83.570 1.0000 0.0000 1.29870E-02 0.6992 0 1
17890 B 135.22299 70.000 83.585 1.0000 0.0000 1.42857E-02 0.7002 0 1
17891 B 135.23000 71.000 83.600 1.0000 0.0000 1.40845E-02 0.7002 0 1
17892 B 135.23700 77.000 83.615 1.0000 0.0000 1.29870E-02 0.7002 0 1
17893 B 135.24400 83.000 83.630 1.0000 0.0000 1.20482E-02 0.7002 0 1
17894 B 135.25101 87.000 83.645 1.0000 0.0000 1.14943E-02 0.6992 0 1
17895 B 135.25800 87.000 83.660 1.0000 0.0000 1.14943E-02 0.7002 0 1
17896 B 135.26500 87.000 83.675 1.0000 0.0000 1.14943E-02 0.7002 0 1
17897 B 135.27199 82.000 83.690 1.0000 0.0000 1.21951E-02 0.7002 0 1
17898 B 135.27901 75.000 83.705 1.0000 0.0000 1.33333E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 316
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17899 B 135.28601 76.000 83.720 1.0000 0.0000 1.31579E-02 0.6992 0 1
17900 B 135.29298 80.000 83.735 1.0000 0.0000 1.25000E-02 0.7002 0 1
17901 B 135.30000 71.000 83.750 1.0000 0.0000 1.40845E-02 0.7002 0 1
17902 B 135.30699 69.000 83.765 1.0000 0.0000 1.44928E-02 0.7002 0 1
17903 B 135.31401 76.000 83.780 1.0000 0.0000 1.31579E-02 0.7002 0 1
17904 B 135.32100 72.000 83.795 1.0000 0.0000 1.38889E-02 0.6992 0 1
17905 B 135.32799 73.000 83.810 1.0000 0.0000 1.36986E-02 0.7002 0 1
17906 B 135.33501 88.000 83.825 1.0000 0.0000 1.13636E-02 0.7002 0 1
17907 B 135.34200 69.000 83.840 1.0000 0.0000 1.44928E-02 0.7002 0 1
17908 B 135.34900 89.000 83.855 1.0000 0.0000 1.12360E-02 0.7002 0 1
17909 B 135.35600 97.000 83.870 1.0000 0.0000 1.03093E-02 0.6992 0 1
17910 . 135.36299 94.000 84.194 1.0000 0.0000 1.06383E-02 0.7002 113 1
17911 . 135.37000 79.000 84.221 1.0000 0.0000 1.26582E-02 0.7002 113 1
17912 . 135.37700 82.000 84.248 1.0000 0.0000 1.21951E-02 0.7002 113 1
17913 . 135.38400 88.000 84.276 1.0000 0.0000 1.13636E-02 0.7002 113 1
17914 . 135.39101 86.000 84.304 1.0000 0.0000 1.16279E-02 0.6992 113 1
17915 . 135.39799 70.000 84.334 1.0000 0.0000 1.42857E-02 0.7002 113 1
17916 . 135.40500 75.000 84.364 1.0000 0.0000 1.33333E-02 0.7002 113 1
17917 . 135.41199 79.000 84.395 1.0000 0.0000 1.26582E-02 0.7002 113 1
17918 . 135.41901 75.000 84.427 1.0000 0.0000 1.33333E-02 0.7002 113 1
17919 . 135.42601 81.000 84.460 1.0000 0.0000 1.23457E-02 0.6992 113 1
17920 . 135.43298 75.000 84.494 1.0000 0.0000 1.33333E-02 0.7002 113 1
17921 . 135.44000 72.000 84.530 1.0000 0.0000 1.38889E-02 0.7002 113 1
17922 . 135.44699 78.000 84.567 1.0000 0.0000 1.28205E-02 0.7002 113 1
17923 . 135.45401 71.000 84.606 1.0000 0.0000 1.40845E-02 0.7002 113 1
17924 . 135.46100 76.000 84.646 1.0000 0.0000 1.31579E-02 0.6992 113 1
17925 . 135.46799 90.000 84.688 1.0000 0.0000 1.11111E-02 0.7002 113 1
17926 . 135.47501 83.000 84.733 1.0000 0.0000 1.20482E-02 0.7002 113 1
17927 . 135.48199 81.000 84.779 1.0000 0.0000 1.23457E-02 0.7002 113 1
17928 . 135.48900 83.000 84.828 1.0000 0.0000 1.20482E-02 0.7002 113 1
17929 . 135.49600 84.000 84.879 1.0000 0.0000 1.19048E-02 0.6992 113 1
17930 . 135.50299 83.000 84.934 1.0000 0.0000 1.20482E-02 0.7002 113 1
17931 . 135.50999 82.000 84.992 1.0000 0.0000 1.21951E-02 0.7002 113 1
17932 . 135.51700 74.000 85.054 1.0000 0.0000 1.35135E-02 0.7002 113 1
17933 . 135.52400 81.000 85.120 1.0000 0.0000 1.23457E-02 0.7002 113 1
17934 . 135.53101 68.000 85.190 1.0000 0.0000 1.47059E-02 0.6992 113 1
17935 . 135.53799 79.000 85.267 1.0000 0.0000 1.26582E-02 0.7002 113 1
17936 . 135.54500 81.000 85.349 1.0000 0.0000 1.23457E-02 0.7002 113 1
17937 . 135.55199 79.000 85.440 1.0000 0.0000 1.26582E-02 0.7002 113 1
17938 . 135.55901 78.000 85.540 1.0000 0.0000 1.28205E-02 0.7002 113 1
17939 . 135.56601 78.000 85.651 1.0000 0.0000 1.28205E-02 0.6992 113 1
17940 . 135.57298 82.000 85.777 1.0000 0.0000 1.21951E-02 0.7002 113 1
17941 . 135.58000 81.000 85.921 1.0000 0.0000 1.23457E-02 0.7002 113 1
17942 . 135.58699 78.000 86.090 1.0000 0.0000 1.28205E-02 0.7002 113 1
17943 . 135.59401 71.000 86.291 1.0000 0.0000 1.40845E-02 0.7002 113 1
17944 . 135.60101 78.000 86.534 1.0000 0.0000 1.28205E-02 0.6992 113 1
17945 . 135.60799 85.000 86.831 1.0000 0.0000 1.17647E-02 0.7002 113 1
17946 . 135.61501 77.000 87.201 1.0000 0.0000 1.29870E-02 0.7002 113 1
17947 . 135.62199 90.000 87.662 1.0000 0.0000 1.11111E-02 0.7002 113 1
17948 . 135.62900 72.000 88.239 1.0000 0.0000 1.38889E-02 0.7002 113 1
17949 . 135.63600 78.000 88.956 1.0000 0.0000 1.28205E-02 0.6992 113 1
17950 . 135.64299 76.000 89.842 1.0000 0.0000 1.31579E-02 0.7002 113 1
17951 . 135.64999 83.000 90.930 1.0000 0.0000 1.20482E-02 0.7002 113 1
17952 . 135.65700 85.000 92.240 1.0000 0.0000 1.17647E-02 0.7002 113 1
17953 . 135.66400 77.000 93.803 1.0000 0.0000 1.29870E-02 0.7002 113 1
17954 . 135.67101 94.000 95.624 1.0000 0.0000 1.06383E-02 0.6992 113 1
17955 . 135.67799 85.000 97.701 1.0000 0.0000 1.17647E-02 0.7002 113 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 317
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
17956 . 135.68500 85.000 100.04 1.0000 0.0000 1.17647E-02 0.7002 113 1
17957 . 135.69199 73.000 102.58 1.0000 0.0000 1.36986E-02 0.7002 113 1
17958 . 135.69901 77.000 105.29 1.0000 0.0000 1.29870E-02 0.7002 113 1
17959 . 135.70601 79.000 108.06 1.0000 0.0000 1.26582E-02 0.6992 113 1
17960 . 135.71298 75.000 110.79 1.0000 0.0000 1.33333E-02 0.7002 113 1
17961 . 135.72000 75.000 113.34 1.0000 0.0000 1.33333E-02 0.7002 113 1
17962 . 135.72699 84.000 115.51 1.0000 0.0000 1.19048E-02 0.7002 113 1
17963 . 135.73401 83.000 117.12 1.0000 0.0000 1.20482E-02 0.7002 113 1
17964 .1 135.74101 75.000 118.00 1.0000 0.0000 1.33333E-02 0.6992 113 1
17965 . 135.74799 86.000 118.05 1.0000 0.0000 1.16279E-02 0.7002 113 1
17966 . 135.75500 84.000 117.26 1.0000 0.0000 1.19048E-02 0.7002 113 1
17967 . 135.76199 68.000 115.73 1.0000 0.0000 1.47059E-02 0.7002 113 1
17968 . 135.76900 85.000 113.62 1.0000 0.0000 1.17647E-02 0.7002 113 1
17969 . 135.77600 90.000 111.13 1.0000 0.0000 1.11111E-02 0.6992 113 1
17970 . 135.78299 68.000 108.44 1.0000 0.0000 1.47059E-02 0.7002 113 1
17971 . 135.78999 71.000 105.69 1.0000 0.0000 1.40845E-02 0.7002 113 1
17972 . 135.79700 83.000 103.01 1.0000 0.0000 1.20482E-02 0.7002 113 1
17973 . 135.80400 79.000 100.48 1.0000 0.0000 1.26582E-02 0.7002 113 1
17974 . 135.81100 76.000 98.159 1.0000 0.0000 1.31579E-02 0.6992 113 1
17975 . 135.81799 64.000 96.092 1.0000 0.0000 1.56250E-02 0.7002 113 1
17976 . 135.82500 73.000 94.279 1.0000 0.0000 1.36986E-02 0.7002 113 1
17977 . 135.83199 75.000 92.731 1.0000 0.0000 1.33333E-02 0.7002 113 1
17978 . 135.83900 67.000 91.429 1.0000 0.0000 1.49254E-02 0.7002 113 1
17979 . 135.84601 81.000 90.357 1.0000 0.0000 1.23457E-02 0.6992 113 1
17980 . 135.85298 65.000 89.487 1.0000 0.0000 1.53846E-02 0.7002 113 1
17981 . 135.86000 82.000 88.787 1.0000 0.0000 1.21951E-02 0.7002 113 1
17982 . 135.86699 71.000 88.232 1.0000 0.0000 1.40845E-02 0.7002 113 1
17983 . 135.87401 72.000 87.793 1.0000 0.0000 1.38889E-02 0.7002 113 1
17984 . 135.88101 90.000 87.448 1.0000 0.0000 1.11111E-02 0.6992 113 1
17985 . 135.88799 88.000 87.176 1.0000 0.0000 1.13636E-02 0.7002 113 1
17986 . 135.89500 75.000 86.960 1.0000 0.0000 1.33333E-02 0.7002 113 1
17987 . 135.90199 86.000 86.786 1.0000 0.0000 1.16279E-02 0.7002 113 1
17988 . 135.90900 80.000 86.646 1.0000 0.0000 1.25000E-02 0.7002 113 1
17989 . 135.91600 78.000 86.530 1.0000 0.0000 1.28205E-02 0.6992 113 1
17990 . 135.92299 79.000 86.433 1.0000 0.0000 1.26582E-02 0.7002 113 1
17991 . 135.92999 73.000 86.351 1.0000 0.0000 1.36986E-02 0.7002 113 1
17992 . 135.93700 75.000 86.281 1.0000 0.0000 1.33333E-02 0.7002 113 1
17993 . 135.94400 84.000 86.220 1.0000 0.0000 1.19048E-02 0.7002 113 1
17994 . 135.95100 83.000 86.167 1.0000 0.0000 1.20482E-02 0.6992 113 1
17995 . 135.95799 84.000 86.121 1.0000 0.0000 1.19048E-02 0.7002 113 1
17996 . 135.96500 70.000 86.080 1.0000 0.0000 1.42857E-02 0.7002 113 1
17997 . 135.97198 84.000 86.044 1.0000 0.0000 1.19048E-02 0.7002 113 1
17998 . 135.97900 81.000 86.012 1.0000 0.0000 1.23457E-02 0.7002 113 1
17999 . 135.98601 74.000 85.985 1.0000 0.0000 1.35135E-02 0.6992 113 1
18000 . 135.99298 62.000 85.960 1.0000 0.0000 1.61290E-02 0.7002 113 1
18001 . 136.00000 79.000 85.939 1.0000 0.0000 1.26582E-02 0.7002 113 1
18002 . 136.00699 76.000 85.920 1.0000 0.0000 1.31579E-02 0.7002 113 1
18003 . 136.01401 77.000 85.904 1.0000 0.0000 1.29870E-02 0.7002 113 1
18004 . 136.02101 76.000 85.890 1.0000 0.0000 1.31579E-02 0.6992 113 1
18005 . 136.02798 72.000 85.878 1.0000 0.0000 1.38889E-02 0.7002 113 1
18006 . 136.03500 68.000 85.868 1.0000 0.0000 1.47059E-02 0.7002 113 1
18007 . 136.04199 84.000 85.859 1.0000 0.0000 1.19048E-02 0.7002 113 1
18008 . 136.04901 76.000 85.853 1.0000 0.0000 1.31579E-02 0.7002 113 1
18009 . 136.05600 69.000 85.847 1.0000 0.0000 1.44928E-02 0.6992 113 1
18010 . 136.06299 77.000 86.003 1.0000 0.0000 1.29870E-02 0.7002 113 2
18011 . 136.07001 69.000 86.006 1.0000 0.0000 1.44928E-02 0.7002 113 2
18012 . 136.07700 64.000 86.010 1.0000 0.0000 1.56250E-02 0.7002 113 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 318
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18013 . 136.08400 75.000 86.016 1.0000 0.0000 1.33333E-02 0.7002 113 2
18014 . 136.09100 62.000 86.023 1.0000 0.0000 1.61290E-02 0.6992 113 2
18015 . 136.09799 69.000 86.031 1.0000 0.0000 1.44928E-02 0.7002 113 2
18016 . 136.10500 76.000 86.041 1.0000 0.0000 1.31579E-02 0.7002 113 2
18017 . 136.11200 75.000 86.052 1.0000 0.0000 1.33333E-02 0.7002 113 2
18018 . 136.11900 85.000 86.064 1.0000 0.0000 1.17647E-02 0.7002 113 2
18019 . 136.12601 85.000 85.767 1.0000 0.0000 1.17647E-02 0.6992 114 1
18020 . 136.13300 71.000 85.792 1.0000 0.0000 1.40845E-02 0.7002 114 1
18021 . 136.14000 63.000 85.818 1.0000 0.0000 1.58730E-02 0.7002 114 1
18022 . 136.14699 71.000 85.844 1.0000 0.0000 1.40845E-02 0.7002 114 1
18023 . 136.15401 72.000 85.872 1.0000 0.0000 1.38889E-02 0.7002 114 1
18024 . 136.16101 72.000 85.900 1.0000 0.0000 1.38889E-02 0.6992 114 1
18025 . 136.16798 74.000 85.930 1.0000 0.0000 1.35135E-02 0.7002 114 1
18026 . 136.17500 68.000 85.960 1.0000 0.0000 1.47059E-02 0.7002 114 1
18027 . 136.18199 70.000 85.991 1.0000 0.0000 1.42857E-02 0.7002 114 1
18028 . 136.18901 74.000 86.024 1.0000 0.0000 1.35135E-02 0.7002 114 1
18029 . 136.19600 65.000 86.058 1.0000 0.0000 1.53846E-02 0.6992 114 1
18030 . 136.20299 67.000 86.094 1.0000 0.0000 1.49254E-02 0.7002 114 1
18031 . 136.21001 82.000 86.131 1.0000 0.0000 1.21951E-02 0.7002 114 1
18032 . 136.21700 81.000 86.171 1.0000 0.0000 1.23457E-02 0.7002 114 1
18033 . 136.22400 80.000 86.212 1.0000 0.0000 1.25000E-02 0.7002 114 1
18034 . 136.23100 75.000 86.256 1.0000 0.0000 1.33333E-02 0.6992 114 1
18035 . 136.23799 71.000 86.303 1.0000 0.0000 1.40845E-02 0.7002 114 1
18036 . 136.24500 66.000 86.353 1.0000 0.0000 1.51515E-02 0.7002 114 1
18037 . 136.25200 73.000 86.407 1.0000 0.0000 1.36986E-02 0.7002 114 1
18038 . 136.25900 65.000 86.467 1.0000 0.0000 1.53846E-02 0.7002 114 1
18039 . 136.26601 72.000 86.532 1.0000 0.0000 1.38889E-02 0.6992 114 1
18040 . 136.27299 60.000 86.604 1.0000 0.0000 1.66667E-02 0.7002 114 1
18041 . 136.28000 68.000 86.687 1.0000 0.0000 1.47059E-02 0.7002 114 1
18042 . 136.28699 78.000 86.783 1.0000 0.0000 1.28205E-02 0.7002 114 1
18043 . 136.29401 82.000 86.895 1.0000 0.0000 1.21951E-02 0.7002 114 1
18044 . 136.30101 78.000 87.029 1.0000 0.0000 1.28205E-02 0.6992 114 1
18045 . 136.30798 81.000 87.191 1.0000 0.0000 1.23457E-02 0.7002 114 1
18046 . 136.31500 76.000 87.391 1.0000 0.0000 1.31579E-02 0.7002 114 1
18047 . 136.32199 87.000 87.637 1.0000 0.0000 1.14943E-02 0.7002 114 1
18048 . 136.32901 83.000 87.943 1.0000 0.0000 1.20482E-02 0.7002 114 1
18049 . 136.33600 72.000 88.319 1.0000 0.0000 1.38889E-02 0.6992 114 1
18050 . 136.34299 70.000 88.779 1.0000 0.0000 1.42857E-02 0.7002 114 1
18051 . 136.35001 76.000 89.340 1.0000 0.0000 1.31579E-02 0.7002 114 1
18052 . 136.35699 74.000 90.011 1.0000 0.0000 1.35135E-02 0.7002 114 1
18053 . 136.36400 63.000 90.806 1.0000 0.0000 1.58730E-02 0.7002 114 1
18054 . 136.37100 76.000 91.732 1.0000 0.0000 1.31579E-02 0.6992 114 2
18055 . 136.37799 77.000 92.777 1.0000 0.0000 1.29870E-02 0.7002 114 2
18056 . 136.38499 87.000 93.947 1.0000 0.0000 1.14943E-02 0.7002 114 2
18057 . 136.39200 87.000 95.217 1.0000 0.0000 1.14943E-02 0.7002 114 2
18058 . 136.39900 103.00 96.566 1.0000 0.0000 9.70874E-03 0.7002 114 2
18059 . 136.40601 76.000 97.947 1.0000 0.0000 1.31579E-02 0.6992 114 2
18060 . 136.41299 67.000 99.303 1.0000 0.0000 1.49254E-02 0.7002 114 2
18061 . 136.42000 66.000 100.57 1.0000 0.0000 1.51515E-02 0.7002 114 2
18062 . 136.42699 69.000 101.66 1.0000 0.0000 1.44928E-02 0.7002 114 2
18063 . 136.43401 68.000 102.47 1.0000 0.0000 1.47059E-02 0.7002 114 2
18064 .1 136.44101 77.000 102.93 1.0000 0.0000 1.29870E-02 0.6992 114 2
18065 . 136.44798 88.000 102.99 1.0000 0.0000 1.13636E-02 0.7002 114 2
18066 . 136.45500 76.000 102.64 1.0000 0.0000 1.31579E-02 0.7002 114 2
18067 . 136.46199 75.000 101.92 1.0000 0.0000 1.33333E-02 0.7002 114 2
18068 . 136.46901 72.000 100.91 1.0000 0.0000 1.38889E-02 0.7002 114 2
18069 . 136.47601 70.000 99.704 1.0000 0.0000 1.42857E-02 0.6992 114 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 319
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18070 . 136.48299 72.000 98.392 1.0000 0.0000 1.38889E-02 0.7002 114 2
18071 . 136.49001 82.000 97.039 1.0000 0.0000 1.21951E-02 0.7002 114 2
18072 . 136.49699 83.000 95.715 1.0000 0.0000 1.20482E-02 0.7002 114 2
18073 . 136.50400 88.000 94.455 1.0000 0.0000 1.13636E-02 0.7002 114 2
18074 . 136.51100 79.000 93.296 1.0000 0.0000 1.26582E-02 0.6992 114 2
18075 . 136.51799 74.000 92.257 1.0000 0.0000 1.35135E-02 0.7002 114 2
18076 . 136.52499 68.000 91.340 1.0000 0.0000 1.47059E-02 0.7002 114 2
18077 . 136.53200 64.000 90.554 1.0000 0.0000 1.56250E-02 0.7002 114 2
18078 . 136.53900 70.000 89.889 1.0000 0.0000 1.42857E-02 0.7002 114 2
18079 . 136.54601 71.000 89.339 1.0000 0.0000 1.40845E-02 0.6992 114 2
18080 . 136.55299 68.000 88.892 1.0000 0.0000 1.47059E-02 0.7002 114 2
18081 . 136.56000 69.000 88.530 1.0000 0.0000 1.44928E-02 0.7002 114 2
18082 . 136.56699 70.000 88.244 1.0000 0.0000 1.42857E-02 0.7002 114 2
18083 . 136.57401 74.000 88.018 1.0000 0.0000 1.35135E-02 0.7002 114 2
18084 . 136.58101 77.000 87.842 1.0000 0.0000 1.29870E-02 0.6992 114 2
18085 . 136.58798 83.000 87.704 1.0000 0.0000 1.20482E-02 0.7002 114 2
18086 . 136.59500 77.000 87.597 1.0000 0.0000 1.29870E-02 0.7002 114 2
18087 . 136.60199 71.000 87.512 1.0000 0.0000 1.40845E-02 0.7002 114 2
18088 . 136.60901 69.000 87.445 1.0000 0.0000 1.44928E-02 0.7002 114 2
18089 . 136.61601 70.000 87.392 1.0000 0.0000 1.42857E-02 0.6992 114 2
18090 . 136.62299 54.000 87.349 1.0000 0.0000 1.85185E-02 0.7002 114 2
18091 . 136.63000 72.000 87.315 1.0000 0.0000 1.38889E-02 0.7002 114 2
18092 . 136.63699 82.000 87.286 1.0000 0.0000 1.21951E-02 0.7002 114 2
18093 . 136.64400 68.000 87.263 1.0000 0.0000 1.47059E-02 0.7002 114 2
18094 . 136.65100 60.000 87.244 1.0000 0.0000 1.66667E-02 0.6992 114 2
18095 . 136.65799 67.000 87.229 1.0000 0.0000 1.49254E-02 0.7002 114 2
18096 . 136.66499 69.000 87.217 1.0000 0.0000 1.44928E-02 0.7002 114 2
18097 . 136.67200 68.000 87.207 1.0000 0.0000 1.47059E-02 0.7002 114 2
18098 . 136.67900 69.000 87.200 1.0000 0.0000 1.44928E-02 0.7002 114 2
18099 . 136.68600 82.000 87.194 1.0000 0.0000 1.21951E-02 0.6992 114 2
18100 . 136.69299 79.000 87.191 1.0000 0.0000 1.26582E-02 0.7002 114 2
18101 . 136.70000 80.000 87.190 1.0000 0.0000 1.25000E-02 0.7002 114 2
18102 . 136.70699 69.000 87.190 1.0000 0.0000 1.44928E-02 0.7002 114 2
18103 . 136.71400 83.000 87.192 1.0000 0.0000 1.20482E-02 0.7002 114 2
18104 . 136.72101 72.000 87.195 1.0000 0.0000 1.38889E-02 0.6992 114 2
18105 . 136.72798 67.000 87.200 1.0000 0.0000 1.49254E-02 0.7002 114 2
18106 . 136.73500 69.000 87.206 1.0000 0.0000 1.44928E-02 0.7002 114 2
18107 . 136.74199 74.000 87.214 1.0000 0.0000 1.35135E-02 0.7002 114 2
18108 . 136.74901 74.000 87.224 1.0000 0.0000 1.35135E-02 0.7002 114 2
18109 . 136.75601 69.000 87.236 1.0000 0.0000 1.44928E-02 0.6992 114 2
18110 . 136.76299 77.000 87.250 1.0000 0.0000 1.29870E-02 0.7002 114 2
18111 . 136.77000 75.000 87.266 1.0000 0.0000 1.33333E-02 0.7002 114 2
18112 . 136.77699 72.000 87.287 1.0000 0.0000 1.38889E-02 0.7002 114 2
18113 . 136.78400 66.000 87.310 1.0000 0.0000 1.51515E-02 0.7002 114 2
18114 . 136.79100 69.000 87.339 1.0000 0.0000 1.44928E-02 0.6992 114 2
18115 . 136.79799 70.000 87.373 1.0000 0.0000 1.42857E-02 0.7002 114 2
18116 . 136.80499 58.000 87.412 1.0000 0.0000 1.72414E-02 0.7002 114 2
18117 . 136.81200 70.000 87.531 1.0000 0.0000 1.42857E-02 0.7002 114 3
18118 . 136.81900 67.000 87.587 1.0000 0.0000 1.49254E-02 0.7002 114 3
18119 . 136.82600 82.000 87.488 1.0000 0.0000 1.21951E-02 0.6992 115 2
18120 . 136.83299 69.000 87.564 1.0000 0.0000 1.44928E-02 0.7002 115 2
18121 . 136.84000 73.000 87.646 1.0000 0.0000 1.36986E-02 0.7002 115 2
18122 . 136.84698 84.000 87.733 1.0000 0.0000 1.19048E-02 0.7002 115 2
18123 . 136.85400 78.000 87.825 1.0000 0.0000 1.28205E-02 0.7002 115 2
18124 . 136.86101 72.000 87.919 1.0000 0.0000 1.38889E-02 0.6992 115 2
18125 . 136.86798 72.000 88.010 1.0000 0.0000 1.38889E-02 0.7002 115 2
18126 . 136.87500 82.000 88.097 1.0000 0.0000 1.21951E-02 0.7002 115 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 320
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18127 . 136.88199 78.000 88.174 1.0000 0.0000 1.28205E-02 0.7002 115 2
18128 . 136.88901 72.000 88.236 1.0000 0.0000 1.38889E-02 0.7002 115 2
18129 .1 136.89601 78.000 88.278 1.0000 0.0000 1.28205E-02 0.6992 115 2
18130 . 136.90298 80.000 88.298 1.0000 0.0000 1.25000E-02 0.7002 115 2
18131 . 136.91000 85.000 88.297 1.0000 0.0000 1.17647E-02 0.7002 115 2
18132 . 136.91699 64.000 88.275 1.0000 0.0000 1.56250E-02 0.7002 115 2
18133 . 136.92401 70.000 88.238 1.0000 0.0000 1.42857E-02 0.7002 115 2
18134 . 136.93100 70.000 88.191 1.0000 0.0000 1.42857E-02 0.6992 115 2
18135 . 136.93799 69.000 88.137 1.0000 0.0000 1.44928E-02 0.7002 115 2
18136 . 136.94501 91.000 88.082 1.0000 0.0000 1.09890E-02 0.7002 115 2
18137 . 136.95200 58.000 88.028 1.0000 0.0000 1.72414E-02 0.7002 115 2
18138 . 136.95900 53.000 87.979 1.0000 0.0000 1.88679E-02 0.7002 115 2
18139 . 136.96600 58.000 87.934 1.0000 0.0000 1.72414E-02 0.6992 115 2
18140 . 136.97299 76.000 87.897 1.0000 0.0000 1.31579E-02 0.7002 115 2
18141 . 136.98000 79.000 87.866 1.0000 0.0000 1.26582E-02 0.7002 115 2
18142 . 136.98700 66.000 87.843 1.0000 0.0000 1.51515E-02 0.7002 115 2
18143 . 136.99400 62.000 87.827 1.0000 0.0000 1.61290E-02 0.7002 115 2
18144 . 137.00101 66.000 87.818 1.0000 0.0000 1.51515E-02 0.6992 115 2
18145 . 137.00800 58.000 87.815 1.0000 0.0000 1.72414E-02 0.7002 115 2
18146 . 137.01500 61.000 87.817 1.0000 0.0000 1.63934E-02 0.7002 115 2
18147 . 137.02199 70.000 87.823 1.0000 0.0000 1.42857E-02 0.7002 115 2
18148 . 137.02901 74.000 87.834 1.0000 0.0000 1.35135E-02 0.7002 115 2
18149 . 137.03601 76.000 87.848 1.0000 0.0000 1.31579E-02 0.6992 115 2
18150 . 137.04298 69.000 87.865 1.0000 0.0000 1.44928E-02 0.7002 115 2
18151 . 137.05000 80.000 87.884 1.0000 0.0000 1.25000E-02 0.7002 115 2
18152 . 137.05699 75.000 87.905 1.0000 0.0000 1.33333E-02 0.7002 115 2
18153 . 137.06401 75.000 87.928 1.0000 0.0000 1.33333E-02 0.7002 115 2
18154 . 137.07100 67.000 87.953 1.0000 0.0000 1.49254E-02 0.6992 115 2
18155 . 137.07799 57.000 87.979 1.0000 0.0000 1.75439E-02 0.7002 115 2
18156 . 137.08501 60.000 88.007 1.0000 0.0000 1.66667E-02 0.7002 115 2
18157 . 137.09200 79.000 88.038 1.0000 0.0000 1.26582E-02 0.7002 115 3
18158 . 137.09900 71.000 88.069 1.0000 0.0000 1.40845E-02 0.7002 115 3
18159 . 137.10600 78.000 88.102 1.0000 0.0000 1.28205E-02 0.6992 115 3
18160 . 137.11299 85.000 88.137 1.0000 0.0000 1.17647E-02 0.7002 115 3
18161 . 137.12000 83.000 88.173 1.0000 0.0000 1.20482E-02 0.7002 115 3
18162 . 137.12700 83.000 88.212 1.0000 0.0000 1.20482E-02 0.7002 115 3
18163 . 137.13400 76.000 88.254 1.0000 0.0000 1.31579E-02 0.7002 115 3
18164 . 137.14101 58.000 88.299 1.0000 0.0000 1.72414E-02 0.6992 115 3
18165 . 137.14799 77.000 88.347 1.0000 0.0000 1.29870E-02 0.7002 115 3
18166 . 137.15500 66.000 88.399 1.0000 0.0000 1.51515E-02 0.7002 115 3
18167 . 137.16199 69.000 88.457 1.0000 0.0000 1.44928E-02 0.7002 115 3
18168 . 137.16901 73.000 88.522 1.0000 0.0000 1.36986E-02 0.7002 115 3
18169 . 137.17601 62.000 88.596 1.0000 0.0000 1.61290E-02 0.6992 115 3
18170 . 137.18298 76.000 88.680 1.0000 0.0000 1.31579E-02 0.7002 115 3
18171 . 137.19000 75.000 88.780 1.0000 0.0000 1.33333E-02 0.7002 115 3
18172 . 137.19699 70.000 88.899 1.0000 0.0000 1.42857E-02 0.7002 115 3
18173 . 137.20401 70.000 89.043 1.0000 0.0000 1.42857E-02 0.7002 115 3
18174 . 137.21100 77.000 89.218 1.0000 0.0000 1.29870E-02 0.6992 115 3
18175 . 137.21799 81.000 89.432 1.0000 0.0000 1.23457E-02 0.7002 115 3
18176 . 137.22501 73.000 89.697 1.0000 0.0000 1.36986E-02 0.7002 115 3
18177 . 137.23199 71.000 90.020 1.0000 0.0000 1.40845E-02 0.7002 115 3
18178 . 137.23900 72.000 90.415 1.0000 0.0000 1.38889E-02 0.7002 115 3
18179 . 137.24600 79.000 90.891 1.0000 0.0000 1.26582E-02 0.6992 115 3
18180 . 137.25299 76.000 91.456 1.0000 0.0000 1.31579E-02 0.7002 115 3
18181 . 137.25999 74.000 92.122 1.0000 0.0000 1.35135E-02 0.7002 115 3
18182 . 137.26700 66.000 92.889 1.0000 0.0000 1.51515E-02 0.7002 115 3
18183 . 137.27400 74.000 93.760 1.0000 0.0000 1.35135E-02 0.7002 115 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 321
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18184 . 137.28101 75.000 94.726 1.0000 0.0000 1.33333E-02 0.6992 115 3
18185 . 137.28799 68.000 95.771 1.0000 0.0000 1.47059E-02 0.7002 115 3
18186 . 137.29500 70.000 96.880 1.0000 0.0000 1.42857E-02 0.7002 115 3
18187 . 137.30199 69.000 98.013 1.0000 0.0000 1.44928E-02 0.7002 115 3
18188 . 137.30901 74.000 99.132 1.0000 0.0000 1.35135E-02 0.7002 115 3
18189 . 137.31601 73.000 100.18 1.0000 0.0000 1.36986E-02 0.6992 115 3
18190 . 137.32298 78.000 101.08 1.0000 0.0000 1.28205E-02 0.7002 115 3
18191 . 137.33000 78.000 101.77 1.0000 0.0000 1.28205E-02 0.7002 115 3
18192 .1 137.33699 68.000 102.18 1.0000 0.0000 1.47059E-02 0.7002 115 3
18193 . 137.34401 69.000 102.26 1.0000 0.0000 1.44928E-02 0.7002 115 3
18194 . 137.35101 65.000 102.02 1.0000 0.0000 1.53846E-02 0.6992 115 3
18195 . 137.35799 62.000 101.48 1.0000 0.0000 1.61290E-02 0.7002 115 3
18196 . 137.36501 71.000 100.69 1.0000 0.0000 1.40845E-02 0.7002 115 3
18197 . 137.37199 62.000 99.728 1.0000 0.0000 1.61290E-02 0.7002 115 3
18198 . 137.37900 81.000 98.665 1.0000 0.0000 1.23457E-02 0.7002 115 3
18199 . 137.38600 68.000 97.564 1.0000 0.0000 1.47059E-02 0.6992 115 3
18200 . 137.39299 74.000 96.475 1.0000 0.0000 1.35135E-02 0.7002 115 3
18201 . 137.39999 68.000 95.429 1.0000 0.0000 1.47059E-02 0.7002 115 3
18202 . 137.40700 65.000 94.460 1.0000 0.0000 1.53846E-02 0.7002 115 3
18203 . 137.41400 69.000 93.579 1.0000 0.0000 1.44928E-02 0.7002 115 3
18204 . 137.42101 66.000 92.800 1.0000 0.0000 1.51515E-02 0.6992 115 3
18205 . 137.42799 58.000 92.121 1.0000 0.0000 1.72414E-02 0.7002 116 2
18206 . 137.43500 68.000 91.545 1.0000 0.0000 1.47059E-02 0.7002 116 2
18207 . 137.44199 68.000 91.065 1.0000 0.0000 1.47059E-02 0.7002 116 2
18208 . 137.44901 82.000 90.670 1.0000 0.0000 1.21951E-02 0.7002 116 2
18209 . 137.45601 68.000 90.351 1.0000 0.0000 1.47059E-02 0.6992 116 2
18210 . 137.46298 52.000 90.097 1.0000 0.0000 1.92308E-02 0.7002 116 2
18211 . 137.47000 59.000 89.896 1.0000 0.0000 1.69492E-02 0.7002 116 2
18212 . 137.47699 61.000 89.740 1.0000 0.0000 1.63934E-02 0.7002 116 2
18213 . 137.48401 75.000 89.620 1.0000 0.0000 1.33333E-02 0.7002 116 2
18214 . 137.49101 72.000 89.528 1.0000 0.0000 1.38889E-02 0.6992 116 2
18215 . 137.49799 81.000 89.459 1.0000 0.0000 1.23457E-02 0.7002 116 2
18216 . 137.50500 76.000 89.408 1.0000 0.0000 1.31579E-02 0.7002 116 2
18217 . 137.51199 64.000 89.372 1.0000 0.0000 1.56250E-02 0.7002 116 2
18218 . 137.51900 67.000 89.347 1.0000 0.0000 1.49254E-02 0.7002 116 2
18219 . 137.52600 72.000 89.333 1.0000 0.0000 1.38889E-02 0.6992 116 2
18220 . 137.53299 74.000 89.328 1.0000 0.0000 1.35135E-02 0.7002 116 2
18221 . 137.53999 73.000 89.368 1.0000 0.0000 1.36986E-02 0.7002 116 3
18222 . 137.54700 77.000 89.380 1.0000 0.0000 1.29870E-02 0.7002 116 3
18223 . 137.55400 75.000 89.397 1.0000 0.0000 1.33333E-02 0.7002 116 3
18224 . 137.56100 80.000 89.420 1.0000 0.0000 1.25000E-02 0.6992 116 3
18225 . 137.56799 70.000 89.449 1.0000 0.0000 1.42857E-02 0.7002 116 3
18226 . 137.57500 67.000 89.481 1.0000 0.0000 1.49254E-02 0.7002 116 3
18227 . 137.58199 75.000 89.516 1.0000 0.0000 1.33333E-02 0.7002 116 3
18228 . 137.58900 68.000 89.551 1.0000 0.0000 1.47059E-02 0.7002 116 3
18229 . 137.59601 70.000 89.586 1.0000 0.0000 1.42857E-02 0.6992 116 3
18230 . 137.60298 60.000 89.617 1.0000 0.0000 1.66667E-02 0.7002 116 3
18231 . 137.61000 64.000 89.641 1.0000 0.0000 1.56250E-02 0.7002 116 3
18232 .1 137.61699 67.000 89.658 1.0000 0.0000 1.49254E-02 0.7002 116 3
18233 . 137.62401 71.000 89.665 1.0000 0.0000 1.40845E-02 0.7002 116 3
18234 . 137.63101 71.000 89.662 1.0000 0.0000 1.40845E-02 0.6992 116 3
18235 . 137.63799 69.000 89.649 1.0000 0.0000 1.44928E-02 0.7002 116 3
18236 . 137.64500 79.000 89.630 1.0000 0.0000 1.26582E-02 0.7002 116 3
18237 . 137.65199 73.000 89.606 1.0000 0.0000 1.36986E-02 0.7002 116 3
18238 . 137.65900 75.000 89.579 1.0000 0.0000 1.33333E-02 0.7002 116 3
18239 . 137.66600 74.000 89.552 1.0000 0.0000 1.35135E-02 0.6992 116 3
18240 . 137.67299 58.000 89.526 1.0000 0.0000 1.72414E-02 0.7002 116 3
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 322
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18241 . 137.67999 80.000 89.502 1.0000 0.0000 1.25000E-02 0.7002 116 3
18242 . 137.68700 78.000 89.481 1.0000 0.0000 1.28205E-02 0.7002 116 3
18243 . 137.69400 61.000 89.463 1.0000 0.0000 1.63934E-02 0.7002 116 3
18244 . 137.70100 73.000 89.449 1.0000 0.0000 1.36986E-02 0.6992 116 3
18245 . 137.70799 59.000 89.439 1.0000 0.0000 1.69492E-02 0.7002 116 3
18246 . 137.71500 62.000 89.433 1.0000 0.0000 1.61290E-02 0.7002 116 3
18247 . 137.72198 69.000 89.431 1.0000 0.0000 1.44928E-02 0.7002 116 3
18248 . 137.72900 64.000 89.432 1.0000 0.0000 1.56250E-02 0.7002 116 3
18249 . 137.73601 68.000 89.435 1.0000 0.0000 1.47059E-02 0.6992 116 3
18250 . 137.74298 76.000 89.442 1.0000 0.0000 1.31579E-02 0.7002 116 3
18251 . 137.75000 70.000 89.450 1.0000 0.0000 1.42857E-02 0.7002 116 3
18252 . 137.75699 67.000 89.461 1.0000 0.0000 1.49254E-02 0.7002 116 3
18253 . 137.76401 82.000 89.473 1.0000 0.0000 1.21951E-02 0.7002 116 3
18254 . 137.77101 75.000 89.487 1.0000 0.0000 1.33333E-02 0.6992 116 3
18255 . 137.77798 76.000 89.502 1.0000 0.0000 1.31579E-02 0.7002 116 3
18256 . 137.78500 73.000 89.518 1.0000 0.0000 1.36986E-02 0.7002 116 3
18257 . 137.79199 70.000 89.534 1.0000 0.0000 1.42857E-02 0.7002 116 3
18258 . 137.79901 62.000 89.552 1.0000 0.0000 1.61290E-02 0.7002 116 3
18259 . 137.80600 71.000 89.571 1.0000 0.0000 1.40845E-02 0.6992 116 3
18260 . 137.81299 77.000 89.590 1.0000 0.0000 1.29870E-02 0.7002 116 3
18261 . 137.82001 73.000 89.611 1.0000 0.0000 1.36986E-02 0.7002 116 3
18262 . 137.82700 65.000 89.632 1.0000 0.0000 1.53846E-02 0.7002 116 3
18263 . 137.83400 67.000 89.655 1.0000 0.0000 1.49254E-02 0.7002 116 3
18264 . 137.84100 67.000 89.678 1.0000 0.0000 1.49254E-02 0.6992 116 3
18265 . 137.84799 61.000 89.702 1.0000 0.0000 1.63934E-02 0.7002 116 3
18266 . 137.85500 69.000 89.728 1.0000 0.0000 1.44928E-02 0.7002 116 3
18267 . 137.86200 68.000 89.755 1.0000 0.0000 1.47059E-02 0.7002 116 3
18268 . 137.86900 56.000 89.710 1.0000 0.0000 1.78571E-02 0.7002 117 2
18269 . 137.87601 69.000 89.742 1.0000 0.0000 1.44928E-02 0.6992 117 2
18270 . 137.88300 75.000 89.777 1.0000 0.0000 1.33333E-02 0.7002 117 2
18271 . 137.89000 65.000 89.814 1.0000 0.0000 1.53846E-02 0.7002 117 2
18272 . 137.89699 68.000 89.855 1.0000 0.0000 1.47059E-02 0.7002 117 2
18273 . 137.90401 69.000 89.901 1.0000 0.0000 1.44928E-02 0.7002 117 2
18274 . 137.91101 65.000 89.951 1.0000 0.0000 1.53846E-02 0.6992 117 2
18275 . 137.91798 67.000 90.010 1.0000 0.0000 1.49254E-02 0.7002 117 2
18276 . 137.92500 75.000 90.077 1.0000 0.0000 1.33333E-02 0.7002 117 2
18277 . 137.93199 76.000 90.157 1.0000 0.0000 1.31579E-02 0.7002 117 2
18278 . 137.93901 74.000 90.253 1.0000 0.0000 1.35135E-02 0.7002 117 2
18279 . 137.94600 79.000 90.368 1.0000 0.0000 1.26582E-02 0.6992 117 2
18280 . 137.95299 66.000 90.507 1.0000 0.0000 1.51515E-02 0.7002 117 2
18281 . 137.96001 56.000 90.675 1.0000 0.0000 1.78571E-02 0.7002 117 2
18282 . 137.96700 65.000 90.877 1.0000 0.0000 1.53846E-02 0.7002 117 2
18283 . 137.97400 79.000 91.119 1.0000 0.0000 1.26582E-02 0.7002 117 2
18284 . 137.98100 81.000 91.404 1.0000 0.0000 1.23457E-02 0.6992 117 2
18285 . 137.98799 69.000 91.736 1.0000 0.0000 1.44928E-02 0.7002 117 2
18286 . 137.99500 79.000 92.120 1.0000 0.0000 1.26582E-02 0.7002 117 2
18287 . 138.00200 60.000 92.552 1.0000 0.0000 1.66667E-02 0.7002 117 2
18288 . 138.00900 77.000 93.032 1.0000 0.0000 1.29870E-02 0.7002 117 2
18289 . 138.01601 60.000 93.553 1.0000 0.0000 1.66667E-02 0.6992 117 2
18290 . 138.02299 71.000 94.103 1.0000 0.0000 1.40845E-02 0.7002 117 2
18291 . 138.03000 66.000 94.671 1.0000 0.0000 1.51515E-02 0.7002 117 2
18292 . 138.03699 66.000 95.233 1.0000 0.0000 1.51515E-02 0.7002 117 2
18293 . 138.04401 80.000 95.767 1.0000 0.0000 1.25000E-02 0.7002 117 2
18294 . 138.05101 65.000 96.239 1.0000 0.0000 1.53846E-02 0.6992 117 2
18295 . 138.05798 60.000 96.613 1.0000 0.0000 1.66667E-02 0.7002 117 2
18296 .1 138.06500 63.000 96.860 1.0000 0.0000 1.58730E-02 0.7002 117 2
18297 . 138.07199 74.000 96.954 1.0000 0.0000 1.35135E-02 0.7002 117 2
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 323
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18298 . 138.07901 76.000 96.886 1.0000 0.0000 1.31579E-02 0.7002 117 2
18299 . 138.08600 69.000 96.666 1.0000 0.0000 1.44928E-02 0.6992 117 2
18300 . 138.09299 67.000 96.320 1.0000 0.0000 1.49254E-02 0.7002 117 2
18301 . 138.10001 67.000 95.877 1.0000 0.0000 1.49254E-02 0.7002 117 2
18302 . 138.10699 71.000 95.375 1.0000 0.0000 1.40845E-02 0.7002 117 2
18303 . 138.11400 70.000 94.842 1.0000 0.0000 1.42857E-02 0.7002 117 2
18304 . 138.12100 68.000 94.307 1.0000 0.0000 1.47059E-02 0.6992 117 2
18305 . 138.12799 59.000 93.791 1.0000 0.0000 1.69492E-02 0.7002 117 2
18306 . 138.13499 67.000 93.303 1.0000 0.0000 1.49254E-02 0.7002 117 2
18307 . 138.14200 69.000 92.858 1.0000 0.0000 1.44928E-02 0.7002 117 2
18308 . 138.14900 70.000 92.456 1.0000 0.0000 1.42857E-02 0.7002 118 1
18309 . 138.15601 69.000 92.107 1.0000 0.0000 1.44928E-02 0.6992 118 1
18310 . 138.16299 74.000 91.809 1.0000 0.0000 1.35135E-02 0.7002 118 1
18311 . 138.17000 69.000 91.557 1.0000 0.0000 1.44928E-02 0.7002 118 1
18312 . 138.17699 70.000 91.350 1.0000 0.0000 1.42857E-02 0.7002 118 1
18313 . 138.18401 71.000 91.181 1.0000 0.0000 1.40845E-02 0.7002 118 1
18314 . 138.19101 69.000 91.046 1.0000 0.0000 1.44928E-02 0.6992 118 1
18315 . 138.19798 76.000 90.941 1.0000 0.0000 1.31579E-02 0.7002 118 1
18316 . 138.20500 67.000 90.859 1.0000 0.0000 1.49254E-02 0.7002 118 1
18317 . 138.21199 67.000 90.796 1.0000 0.0000 1.49254E-02 0.7002 118 1
18318 . 138.21901 71.000 90.748 1.0000 0.0000 1.40845E-02 0.7002 118 1
18319 . 138.22601 63.000 90.713 1.0000 0.0000 1.58730E-02 0.6992 118 1
18320 . 138.23299 68.000 90.687 1.0000 0.0000 1.47059E-02 0.7002 118 1
18321 . 138.24001 73.000 90.669 1.0000 0.0000 1.36986E-02 0.7002 118 1
18322 . 138.24699 75.000 90.656 1.0000 0.0000 1.33333E-02 0.7002 118 1
18323 . 138.25400 77.000 90.647 1.0000 0.0000 1.29870E-02 0.7002 118 1
18324 . 138.26100 75.000 90.641 1.0000 0.0000 1.33333E-02 0.6992 118 1
18325 . 138.26799 72.000 90.639 1.0000 0.0000 1.38889E-02 0.7002 118 1
18326 . 138.27499 76.000 90.638 1.0000 0.0000 1.31579E-02 0.7002 118 1
18327 . 138.28200 82.000 90.639 1.0000 0.0000 1.21951E-02 0.7002 118 1
18328 . 138.28900 75.000 90.642 1.0000 0.0000 1.33333E-02 0.7002 118 1
18329 . 138.29601 73.000 90.646 1.0000 0.0000 1.36986E-02 0.6992 118 1
18330 . 138.30299 81.000 90.651 1.0000 0.0000 1.23457E-02 0.7002 118 1
18331 . 138.31000 80.000 90.657 1.0000 0.0000 1.25000E-02 0.7002 118 1
18332 . 138.31699 73.000 90.664 1.0000 0.0000 1.36986E-02 0.7002 118 1
18333 . 138.32401 64.000 90.671 1.0000 0.0000 1.56250E-02 0.7002 118 1
18334 . 138.33101 67.000 90.679 1.0000 0.0000 1.49254E-02 0.6992 118 1
18335 . 138.33798 70.000 90.688 1.0000 0.0000 1.42857E-02 0.7002 118 1
18336 . 138.34500 56.000 90.698 1.0000 0.0000 1.78571E-02 0.7002 118 1
18337 . 138.35199 86.000 90.707 1.0000 0.0000 1.16279E-02 0.7002 118 1
18338 . 138.35901 79.000 90.718 1.0000 0.0000 1.26582E-02 0.7002 118 1
18339 . 138.36601 69.000 90.728 1.0000 0.0000 1.44928E-02 0.6992 118 1
18340 . 138.37299 66.000 90.739 1.0000 0.0000 1.51515E-02 0.7002 118 1
18341 . 138.38000 69.000 90.751 1.0000 0.0000 1.44928E-02 0.7002 118 1
18342 . 138.38699 66.000 90.762 1.0000 0.0000 1.51515E-02 0.7002 118 1
18343 . 138.39400 72.000 90.774 1.0000 0.0000 1.38889E-02 0.7002 118 1
18344 . 138.40100 73.000 90.787 1.0000 0.0000 1.36986E-02 0.6992 118 1
18345 . 138.40799 75.000 90.799 1.0000 0.0000 1.33333E-02 0.7002 118 1
18346 . 138.41499 64.000 90.812 1.0000 0.0000 1.56250E-02 0.7002 118 1
18347 . 138.42200 72.000 90.825 1.0000 0.0000 1.38889E-02 0.7002 118 1
18348 . 138.42900 78.000 90.838 1.0000 0.0000 1.28205E-02 0.7002 118 1
18349 . 138.43600 84.000 90.851 1.0000 0.0000 1.19048E-02 0.6992 118 1
18350 . 138.44299 58.000 90.865 1.0000 0.0000 1.72414E-02 0.7002 118 1
18351 . 138.45000 77.000 90.878 1.0000 0.0000 1.29870E-02 0.7002 118 1
18352 . 138.45699 64.000 90.892 1.0000 0.0000 1.56250E-02 0.7002 118 1
18353 . 138.46400 59.000 90.906 1.0000 0.0000 1.69492E-02 0.7002 118 1
18354 . 138.47101 71.000 90.920 1.0000 0.0000 1.40845E-02 0.6992 118 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 324
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18355 . 138.47798 78.000 90.934 1.0000 0.0000 1.28205E-02 0.7002 118 1
18356 . 138.48500 76.000 90.949 1.0000 0.0000 1.31579E-02 0.7002 118 1
18357 . 138.49199 70.000 90.963 1.0000 0.0000 1.42857E-02 0.7002 118 1
18358 . 138.49901 66.000 90.977 1.0000 0.0000 1.51515E-02 0.7002 118 1
18359 . 138.50601 64.000 90.992 1.0000 0.0000 1.56250E-02 0.6992 118 1
18360 . 138.51299 71.000 91.007 1.0000 0.0000 1.40845E-02 0.7002 118 1
18361 . 138.52000 71.000 91.021 1.0000 0.0000 1.40845E-02 0.7002 118 1
18362 . 138.52699 65.000 91.036 1.0000 0.0000 1.53846E-02 0.7002 118 1
18363 . 138.53400 69.000 91.051 1.0000 0.0000 1.44928E-02 0.7002 118 1
18364 . 138.54100 75.000 91.066 1.0000 0.0000 1.33333E-02 0.6992 118 1
18365 . 138.54799 66.000 91.081 1.0000 0.0000 1.51515E-02 0.7002 118 1
18366 . 138.55499 63.000 91.096 1.0000 0.0000 1.58730E-02 0.7002 118 1
18367 . 138.56200 68.000 91.111 1.0000 0.0000 1.47059E-02 0.7002 118 1
18368 . 138.56900 87.000 91.127 1.0000 0.0000 1.14943E-02 0.7002 118 1
18369 . 138.57600 76.000 91.142 1.0000 0.0000 1.31579E-02 0.6992 118 1
18370 . 138.58299 76.000 91.157 1.0000 0.0000 1.31579E-02 0.7002 118 1
18371 . 138.59000 84.000 91.172 1.0000 0.0000 1.19048E-02 0.7002 118 1
18372 . 138.59698 73.000 91.188 1.0000 0.0000 1.36986E-02 0.7002 118 1
18373 B 138.60400 62.000 91.166 1.0000 0.0000 1.61290E-02 0.7002 0 1
18374 B 138.61101 58.000 91.182 1.0000 0.0000 1.72414E-02 0.6992 0 1
18375 B 138.61798 67.000 91.199 1.0000 0.0000 1.49254E-02 0.7002 0 1
18376 B 138.62500 82.000 91.215 1.0000 0.0000 1.21951E-02 0.7002 0 1
18377 B 138.63199 70.000 91.231 1.0000 0.0000 1.42857E-02 0.7002 0 1
18378 B 138.63901 62.000 91.248 1.0000 0.0000 1.61290E-02 0.7002 0 1
18379 B 138.64601 73.000 91.264 1.0000 0.0000 1.36986E-02 0.6992 0 1
18380 B 138.65298 60.000 91.281 1.0000 0.0000 1.66667E-02 0.7002 0 1
18381 B 138.66000 60.000 91.297 1.0000 0.0000 1.66667E-02 0.7002 0 1
18382 B 138.66699 72.000 91.314 1.0000 0.0000 1.38889E-02 0.7002 0 1
18383 B 138.67401 70.000 91.330 1.0000 0.0000 1.42857E-02 0.7002 0 1
18384 B 138.68100 72.000 91.347 1.0000 0.0000 1.38889E-02 0.6992 0 1
18385 B 138.68799 71.000 91.363 1.0000 0.0000 1.40845E-02 0.7002 0 1
18386 B 138.69501 76.000 91.380 1.0000 0.0000 1.31579E-02 0.7002 0 1
18387 B 138.70200 77.000 91.396 1.0000 0.0000 1.29870E-02 0.7002 0 1
18388 B 138.70900 64.000 91.413 1.0000 0.0000 1.56250E-02 0.7002 0 1
18389 B 138.71600 69.000 91.429 1.0000 0.0000 1.44928E-02 0.6992 0 1
18390 B 138.72299 72.000 91.446 1.0000 0.0000 1.38889E-02 0.7002 0 1
18391 B 138.73000 68.000 91.462 1.0000 0.0000 1.47059E-02 0.7002 0 1
18392 B 138.73700 61.000 91.479 1.0000 0.0000 1.63934E-02 0.7002 0 1
18393 B 138.74400 72.000 91.495 1.0000 0.0000 1.38889E-02 0.7002 0 1
18394 B 138.75101 76.000 91.512 1.0000 0.0000 1.31579E-02 0.6992 0 1
18395 B 138.75800 71.000 91.528 1.0000 0.0000 1.40845E-02 0.7002 0 1
18396 B 138.76500 83.000 91.545 1.0000 0.0000 1.20482E-02 0.7002 0 1
18397 B 138.77199 71.000 91.561 1.0000 0.0000 1.40845E-02 0.7002 0 1
18398 B 138.77901 74.000 91.578 1.0000 0.0000 1.35135E-02 0.7002 0 1
18399 B 138.78601 69.000 91.594 1.0000 0.0000 1.44928E-02 0.6992 0 1
18400 B 138.79298 63.000 91.611 1.0000 0.0000 1.58730E-02 0.7002 0 1
18401 B 138.80000 67.000 91.627 1.0000 0.0000 1.49254E-02 0.7002 0 1
18402 B 138.80699 76.000 91.644 1.0000 0.0000 1.31579E-02 0.7002 0 1
18403 B 138.81401 72.000 91.660 1.0000 0.0000 1.38889E-02 0.7002 0 1
18404 B 138.82100 70.000 91.677 1.0000 0.0000 1.42857E-02 0.6992 0 1
18405 B 138.82799 68.000 91.693 1.0000 0.0000 1.47059E-02 0.7002 0 1
18406 B 138.83501 71.000 91.710 1.0000 0.0000 1.40845E-02 0.7002 0 1
18407 B 138.84200 68.000 91.726 1.0000 0.0000 1.47059E-02 0.7002 0 1
18408 B 138.84900 65.000 91.743 1.0000 0.0000 1.53846E-02 0.7002 0 1
18409 B 138.85600 74.000 91.759 1.0000 0.0000 1.35135E-02 0.6992 0 1
18410 B 138.86299 70.000 91.776 1.0000 0.0000 1.42857E-02 0.7002 0 1
18411 B 138.87000 79.000 91.793 1.0000 0.0000 1.26582E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 325
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18412 B 138.87700 70.000 91.809 1.0000 0.0000 1.42857E-02 0.7002 0 1
18413 B 138.88400 80.000 91.826 1.0000 0.0000 1.25000E-02 0.7002 0 1
18414 B 138.89101 74.000 91.842 1.0000 0.0000 1.35135E-02 0.6992 0 1
18415 B 138.89799 75.000 91.859 1.0000 0.0000 1.33333E-02 0.7002 0 1
18416 B 138.90500 83.000 91.875 1.0000 0.0000 1.20482E-02 0.7002 0 1
18417 B 138.91199 77.000 91.892 1.0000 0.0000 1.29870E-02 0.7002 0 1
18418 B 138.91901 73.000 91.909 1.0000 0.0000 1.36986E-02 0.7002 0 1
18419 B 138.92601 73.000 91.925 1.0000 0.0000 1.36986E-02 0.6992 0 1
18420 B 138.93298 66.000 91.942 1.0000 0.0000 1.51515E-02 0.7002 0 1
18421 B 138.94000 59.000 91.958 1.0000 0.0000 1.69492E-02 0.7002 0 1
18422 B 138.94699 79.000 91.975 1.0000 0.0000 1.26582E-02 0.7002 0 1
18423 B 138.95401 74.000 91.991 1.0000 0.0000 1.35135E-02 0.7002 0 1
18424 B 138.96100 83.000 92.008 1.0000 0.0000 1.20482E-02 0.6992 0 1
18425 B 138.96799 83.000 92.025 1.0000 0.0000 1.20482E-02 0.7002 0 1
18426 B 138.97501 78.000 92.041 1.0000 0.0000 1.28205E-02 0.7002 0 1
18427 B 138.98199 57.000 92.058 1.0000 0.0000 1.75439E-02 0.7002 0 1
18428 B 138.98900 76.000 92.074 1.0000 0.0000 1.31579E-02 0.7002 0 1
18429 B 138.99600 80.000 92.091 1.0000 0.0000 1.25000E-02 0.6992 0 1
18430 B 139.00299 67.000 92.108 1.0000 0.0000 1.49254E-02 0.7002 0 1
18431 B 139.00999 63.000 92.124 1.0000 0.0000 1.58730E-02 0.7002 0 1
18432 B 139.01700 70.000 92.141 1.0000 0.0000 1.42857E-02 0.7002 0 1
18433 B 139.02400 65.000 92.157 1.0000 0.0000 1.53846E-02 0.7002 0 1
18434 B 139.03101 65.000 92.174 1.0000 0.0000 1.53846E-02 0.6992 0 1
18435 B 139.03799 75.000 92.191 1.0000 0.0000 1.33333E-02 0.7002 0 1
18436 B 139.04500 67.000 92.207 1.0000 0.0000 1.49254E-02 0.7002 0 1
18437 B 139.05199 62.000 92.224 1.0000 0.0000 1.61290E-02 0.7002 0 1
18438 B 139.05901 64.000 92.241 1.0000 0.0000 1.56250E-02 0.7002 0 1
18439 B 139.06601 74.000 92.257 1.0000 0.0000 1.35135E-02 0.6992 0 1
18440 B 139.07298 63.000 92.274 1.0000 0.0000 1.58730E-02 0.7002 0 1
18441 B 139.08000 62.000 92.291 1.0000 0.0000 1.61290E-02 0.7002 0 1
18442 B 139.08699 64.000 92.307 1.0000 0.0000 1.56250E-02 0.7002 0 1
18443 B 139.09401 71.000 92.324 1.0000 0.0000 1.40845E-02 0.7002 0 1
18444 B 139.10101 77.000 92.341 1.0000 0.0000 1.29870E-02 0.6992 0 1
18445 B 139.10799 73.000 92.357 1.0000 0.0000 1.36986E-02 0.7002 0 1
18446 B 139.11501 80.000 92.374 1.0000 0.0000 1.25000E-02 0.7002 0 1
18447 B 139.12199 82.000 92.390 1.0000 0.0000 1.21951E-02 0.7002 0 1
18448 B 139.12900 87.000 92.407 1.0000 0.0000 1.14943E-02 0.7002 0 1
18449 B 139.13600 89.000 92.424 1.0000 0.0000 1.12360E-02 0.6992 0 1
18450 B 139.14299 72.000 92.440 1.0000 0.0000 1.38889E-02 0.7002 0 1
18451 B 139.14999 70.000 92.457 1.0000 0.0000 1.42857E-02 0.7002 0 1
18452 B 139.15700 59.000 92.474 1.0000 0.0000 1.69492E-02 0.7002 0 1
18453 B 139.16400 62.000 92.491 1.0000 0.0000 1.61290E-02 0.7002 0 1
18454 B 139.17101 72.000 92.507 1.0000 0.0000 1.38889E-02 0.6992 0 1
18455 B 139.17799 68.000 92.524 1.0000 0.0000 1.47059E-02 0.7002 0 1
18456 B 139.18500 64.000 92.541 1.0000 0.0000 1.56250E-02 0.7002 0 1
18457 B 139.19199 71.000 92.557 1.0000 0.0000 1.40845E-02 0.7002 0 1
18458 B 139.19901 68.000 92.574 1.0000 0.0000 1.47059E-02 0.7002 0 1
18459 B 139.20601 69.000 92.591 1.0000 0.0000 1.44928E-02 0.6992 0 1
18460 B 139.21298 58.000 92.607 1.0000 0.0000 1.72414E-02 0.7002 0 1
18461 B 139.22000 56.000 92.624 1.0000 0.0000 1.78571E-02 0.7002 0 1
18462 B 139.22699 66.000 92.641 1.0000 0.0000 1.51515E-02 0.7002 0 1
18463 B 139.23401 70.000 92.658 1.0000 0.0000 1.42857E-02 0.7002 0 1
18464 B 139.24101 70.000 92.674 1.0000 0.0000 1.42857E-02 0.6992 0 1
18465 B 139.24799 79.000 92.691 1.0000 0.0000 1.26582E-02 0.7002 0 1
18466 B 139.25500 80.000 92.708 1.0000 0.0000 1.25000E-02 0.7002 0 1
18467 B 139.26199 60.000 92.724 1.0000 0.0000 1.66667E-02 0.7002 0 1
18468 B 139.26900 63.000 92.741 1.0000 0.0000 1.58730E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 326
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18469 B 139.27600 68.000 92.758 1.0000 0.0000 1.47059E-02 0.6992 0 1
18470 B 139.28299 65.000 92.775 1.0000 0.0000 1.53846E-02 0.7002 0 1
18471 B 139.28999 55.000 92.791 1.0000 0.0000 1.81818E-02 0.7002 0 1
18472 B 139.29700 68.000 92.808 1.0000 0.0000 1.47059E-02 0.7002 0 1
18473 B 139.30400 59.000 92.825 1.0000 0.0000 1.69492E-02 0.7002 0 1
18474 B 139.31100 63.000 92.842 1.0000 0.0000 1.58730E-02 0.6992 0 1
18475 B 139.31799 66.000 92.858 1.0000 0.0000 1.51515E-02 0.7002 0 1
18476 B 139.32500 69.000 92.875 1.0000 0.0000 1.44928E-02 0.7002 0 1
18477 B 139.33199 60.000 92.892 1.0000 0.0000 1.66667E-02 0.7002 0 1
18478 B 139.33900 73.000 92.909 1.0000 0.0000 1.36986E-02 0.7002 0 1
18479 B 139.34601 73.000 92.925 1.0000 0.0000 1.36986E-02 0.6992 0 1
18480 B 139.35298 72.000 92.942 1.0000 0.0000 1.38889E-02 0.7002 0 1
18481 B 139.36000 62.000 92.959 1.0000 0.0000 1.61290E-02 0.7002 0 1
18482 B 139.36699 75.000 92.976 1.0000 0.0000 1.33333E-02 0.7002 0 1
18483 B 139.37401 75.000 92.992 1.0000 0.0000 1.33333E-02 0.7002 0 1
18484 B 139.38101 56.000 93.009 1.0000 0.0000 1.78571E-02 0.6992 0 1
18485 B 139.38799 73.000 93.026 1.0000 0.0000 1.36986E-02 0.7002 0 1
18486 B 139.39500 71.000 93.043 1.0000 0.0000 1.40845E-02 0.7002 0 1
18487 B 139.40199 58.000 93.060 1.0000 0.0000 1.72414E-02 0.7002 0 1
18488 B 139.40900 73.000 93.076 1.0000 0.0000 1.36986E-02 0.7002 0 1
18489 B 139.41600 64.000 93.093 1.0000 0.0000 1.56250E-02 0.6992 0 1
18490 B 139.42299 57.000 93.110 1.0000 0.0000 1.75439E-02 0.7002 0 1
18491 B 139.42999 79.000 93.127 1.0000 0.0000 1.26582E-02 0.7002 0 1
18492 B 139.43700 72.000 93.143 1.0000 0.0000 1.38889E-02 0.7002 0 1
18493 B 139.44400 76.000 93.160 1.0000 0.0000 1.31579E-02 0.7002 0 1
18494 B 139.45100 83.000 93.177 1.0000 0.0000 1.20482E-02 0.6992 0 1
18495 B 139.45799 71.000 93.194 1.0000 0.0000 1.40845E-02 0.7002 0 1
18496 B 139.46500 76.000 93.211 1.0000 0.0000 1.31579E-02 0.7002 0 1
18497 B 139.47198 72.000 93.228 1.0000 0.0000 1.38889E-02 0.7002 0 1
18498 B 139.47900 62.000 93.244 1.0000 0.0000 1.61290E-02 0.7002 0 1
18499 B 139.48601 60.000 93.261 1.0000 0.0000 1.66667E-02 0.6992 0 1
18500 B 139.49298 75.000 93.278 1.0000 0.0000 1.33333E-02 0.7002 0 1
18501 B 139.50000 69.000 93.295 1.0000 0.0000 1.44928E-02 0.7002 0 1
18502 B 139.50699 74.000 93.312 1.0000 0.0000 1.35135E-02 0.7002 0 1
18503 B 139.51401 80.000 93.329 1.0000 0.0000 1.25000E-02 0.7002 0 1
18504 B 139.52101 63.000 93.345 1.0000 0.0000 1.58730E-02 0.6992 0 1
18505 B 139.52798 71.000 93.362 1.0000 0.0000 1.40845E-02 0.7002 0 1
18506 B 139.53500 66.000 93.379 1.0000 0.0000 1.51515E-02 0.7002 0 1
18507 B 139.54199 76.000 93.396 1.0000 0.0000 1.31579E-02 0.7002 0 1
18508 B 139.54901 79.000 93.413 1.0000 0.0000 1.26582E-02 0.7002 0 1
18509 B 139.55600 80.000 93.430 1.0000 0.0000 1.25000E-02 0.6992 0 1
18510 B 139.56299 62.000 93.446 1.0000 0.0000 1.61290E-02 0.7002 0 1
18511 B 139.57001 69.000 93.463 1.0000 0.0000 1.44928E-02 0.7002 0 1
18512 B 139.57700 91.000 93.480 1.0000 0.0000 1.09890E-02 0.7002 0 1
18513 B 139.58400 70.000 93.497 1.0000 0.0000 1.42857E-02 0.7002 0 1
18514 B 139.59100 70.000 93.514 1.0000 0.0000 1.42857E-02 0.6992 0 1
18515 B 139.59799 71.000 93.531 1.0000 0.0000 1.40845E-02 0.7002 0 1
18516 B 139.60500 68.000 93.548 1.0000 0.0000 1.47059E-02 0.7002 0 1
18517 B 139.61200 66.000 93.565 1.0000 0.0000 1.51515E-02 0.7002 0 1
18518 B 139.61900 71.000 93.581 1.0000 0.0000 1.40845E-02 0.7002 0 1
18519 B 139.62601 77.000 93.598 1.0000 0.0000 1.29870E-02 0.6992 0 1
18520 B 139.63300 73.000 93.615 1.0000 0.0000 1.36986E-02 0.7002 0 1
18521 B 139.64000 77.000 93.632 1.0000 0.0000 1.29870E-02 0.7002 0 1
18522 B 139.64699 73.000 93.649 1.0000 0.0000 1.36986E-02 0.7002 0 1
18523 B 139.65401 65.000 93.666 1.0000 0.0000 1.53846E-02 0.7002 0 1
18524 B 139.66101 76.000 93.683 1.0000 0.0000 1.31579E-02 0.6992 0 1
18525 B 139.66798 74.000 93.700 1.0000 0.0000 1.35135E-02 0.7002 0 1
1MoS2 HSTDMP Version Win32 Jun 23 10:34:31 2020 Page 327
RecNo Code Theta I(obs) I(cal) Incdnt BkGnd Weight Chwdt Rf1 Nov
18526 B 139.67500 61.000 93.717 1.0000 0.0000 1.63934E-02 0.7002 0 1
18527 B 139.68199 60.000 93.733 1.0000 0.0000 1.66667E-02 0.7002 0 1
18528 B 139.68901 75.000 93.750 1.0000 0.0000 1.33333E-02 0.7002 0 1
18529 B 139.69600 81.000 93.767 1.0000 0.0000 1.23457E-02 0.6992 0 1
18530 B 139.70299 74.000 93.784 1.0000 0.0000 1.35135E-02 0.7002 0 1
18531 B 139.71001 54.000 93.801 1.0000 0.0000 1.85185E-02 0.7002 0 1
18532 B 139.71700 66.000 93.818 1.0000 0.0000 1.51515E-02 0.7002 0 1
18533 B 139.72400 70.000 93.835 1.0000 0.0000 1.42857E-02 0.7002 0 1
18534 B 139.73100 57.000 93.852 1.0000 0.0000 1.75439E-02 0.6992 0 1
18535 B 139.73799 69.000 93.869 1.0000 0.0000 1.44928E-02 0.7002 0 1
18536 B 139.74500 73.000 93.886 1.0000 0.0000 1.36986E-02 0.7002 0 1
18537 B 139.75200 79.000 93.903 1.0000 0.0000 1.26582E-02 0.7002 0 1
18538 B 139.75900 80.000 93.920 1.0000 0.0000 1.25000E-02 0.7002 0 1
18539 B 139.76601 66.000 93.937 1.0000 0.0000 1.51515E-02 0.6992 0 1
18540 B 139.77299 64.000 93.954 1.0000 0.0000 1.56250E-02 0.7002 0 1
18541 B 139.78000 70.000 93.971 1.0000 0.0000 1.42857E-02 0.7002 0 1
18542 B 139.78699 61.000 93.987 1.0000 0.0000 1.63934E-02 0.7002 0 1
18543 B 139.79401 67.000 94.004 1.0000 0.0000 1.49254E-02 0.7002 0 1
18544 B 139.80101 81.000 94.021 1.0000 0.0000 1.23457E-02 0.6992 0 1
18545 B 139.80798 69.000 94.038 1.0000 0.0000 1.44928E-02 0.7002 0 1
18546 B 139.81500 76.000 94.055 1.0000 0.0000 1.31579E-02 0.7002 0 1
18547 B 139.82199 78.000 94.072 1.0000 0.0000 1.28205E-02 0.7002 0 1
18548 B 139.82901 68.000 94.089 1.0000 0.0000 1.47059E-02 0.7002 0 1
18549 B 139.83600 68.000 94.106 1.0000 0.0000 1.47059E-02 0.6992 0 1
18550 B 139.84299 61.000 94.123 1.0000 0.0000 1.63934E-02 0.7002 0 1
18551 B 139.85001 73.000 94.140 1.0000 0.0000 1.36986E-02 0.7002 0 1
18552 B 139.85699 66.000 94.157 1.0000 0.0000 1.51515E-02 0.7002 0 1
18553 B 139.86400 60.000 94.174 1.0000 0.0000 1.66667E-02 0.7002 0 1
18554 B 139.87100 73.000 94.191 1.0000 0.0000 1.36986E-02 0.6992 0 1
18555 B 139.87799 74.000 94.208 1.0000 0.0000 1.35135E-02 0.7002 0 1
18556 B 139.88499 71.000 94.225 1.0000 0.0000 1.40845E-02 0.7002 0 1
18557 B 139.89200 68.000 94.242 1.0000 0.0000 1.47059E-02 0.7002 0 1
18558 B 139.89900 77.000 94.259 1.0000 0.0000 1.29870E-02 0.7002 0 1
18559 B 139.90601 84.000 94.276 1.0000 0.0000 1.19048E-02 0.6992 0 1
18560 B 139.91299 68.000 94.293 1.0000 0.0000 1.47059E-02 0.7002 0 1
18561 B 139.92000 68.000 94.310 1.0000 0.0000 1.47059E-02 0.7002 0 1
18562 B 139.92699 77.000 94.327 1.0000 0.0000 1.29870E-02 0.7002 0 1
18563 B 139.93401 79.000 94.344 1.0000 0.0000 1.26582E-02 0.7002 0 1
18564 B 139.94101 65.000 94.361 1.0000 0.0000 1.53846E-02 0.6992 0 1
18565 B 139.94798 63.000 94.378 1.0000 0.0000 1.58730E-02 0.7002 0 1
18566 B 139.95500 83.000 94.395 1.0000 0.0000 1.20482E-02 0.7002 0 1
18567 B 139.96199 71.000 94.412 1.0000 0.0000 1.40845E-02 0.7002 0 1
18568 B 139.96901 65.000 94.429 1.0000 0.0000 1.53846E-02 0.7002 0 1
18569 B 139.97601 59.000 94.446 1.0000 0.0000 1.69492E-02 0.6992 0 1
18570 B 139.98299 67.000 94.463 1.0000 0.0000 1.49254E-02 0.7002 0 1
-------------- next part --------------
1MoS2 PUBTABLE Version Win32 Jun 23 10:32:00 2020 Page 1
|-----------------------------------------|
| Program PUBTABLES Version Win32 |
| Generate crystal structure data tables |
| Distributed on Fri Apr 18 10:12:00 2014 |
|-----------------------------------------|
|---------------------------------------------------------------|
| Allen C. Larson and Robert B. Von Dreele |
| Manuel Lujan, Jr. Neutron Scattering Center, MS-H805 |
| Los Alamos National Laboratory, Los Alamos, NM 87545 |
| |
| Copyright, 2000, The Regents of the University of California. |
|---------------------------------------------------------------|
GENLES was run on Jun 23 10:30:26 2020 Total cycles run 2
The Current Least-Squares controls are
Maximum number of cycles is 3
I/SigI cut-off is 1.00
Anisotropic thermal factors are defined by
T = exp(h**2*astr**2*u11+... +2*h*k*astr*bstr*u12+... )
Space group P 63/m m c
The lattice is centric primitive hexagonal Laue symmetry 6/mmm
Multiplicity of a general site is 24
The symmetry of the point 0,0,0 contains 1bar
The equivalent positions are:
( 1) X Y Z ( 2) X-Y X 1/2+Z ( 3) -Y X-Y Z
( 4) -X -Y 1/2+Z ( 5) Y-X -X Z ( 6) Y Y-X 1/2+Z
( 7) Y-X Y Z ( 8) -X Y-X 1/2+Z ( 9) -Y -X Z
(10) X-Y -Y 1/2+Z (11) X X-Y Z (12) Y X 1/2+Z
Lattice constants are
a = 3.1400001(0) b = A c = 12.5299997(0)
Alpha = 90 Beta = 90 Gamma = 120
Cell volume = 106.9894638(0)
Name X Y Z Ui/Ue*100 Site sym Mult Type Seq Fractn
Mo 0.333300 0.666700 0.250000 0.03 -6M2 100 2 MO 1 1.0000
S 0.333300 0.666700 0.625000 0.03 3M(100) 4 S 2 1.0000
Thermal parameters multiplied by 100.0 are
Name U11 U22 U33 U12 U13 U23
Mo 0.03 0.03 0.03 0.00 0.00 0.00
S 0.03 0.03 0.03 0.00 0.00 0.00
1MoS2 PUBTABLE Version Win32 Jun 23 10:32:32 2020 Page 1
|-----------------------------------------|
| Program PUBTABLES Version Win32 |
| Generate crystal structure data tables |
| Distributed on Fri Apr 18 10:12:00 2014 |
|-----------------------------------------|
|---------------------------------------------------------------|
| Allen C. Larson and Robert B. Von Dreele |
| Manuel Lujan, Jr. Neutron Scattering Center, MS-H805 |
| Los Alamos National Laboratory, Los Alamos, NM 87545 |
| |
| Copyright, 2000, The Regents of the University of California. |
|---------------------------------------------------------------|
GENLES was run on Jun 23 10:30:26 2020 Total cycles run 2
The Current Least-Squares controls are
Maximum number of cycles is 3
I/SigI cut-off is 1.00
Anisotropic thermal factors are defined by
T = exp(h**2*astr**2*u11+... +2*h*k*astr*bstr*u12+... )
Space group P 63/m m c
The lattice is centric primitive hexagonal Laue symmetry 6/mmm
Multiplicity of a general site is 24
The symmetry of the point 0,0,0 contains 1bar
The equivalent positions are:
( 1) X Y Z ( 2) X-Y X 1/2+Z ( 3) -Y X-Y Z
( 4) -X -Y 1/2+Z ( 5) Y-X -X Z ( 6) Y Y-X 1/2+Z
( 7) Y-X Y Z ( 8) -X Y-X 1/2+Z ( 9) -Y -X Z
(10) X-Y -Y 1/2+Z (11) X X-Y Z (12) Y X 1/2+Z
Lattice constants are
a = 3.1400001(0) b = A c = 12.5299997(0)
Alpha = 90 Beta = 90 Gamma = 120
Cell volume = 106.9894638(0)
Name X Y Z Ui/Ue*100 Site sym Mult Type Seq Fractn
Mo 0.333300 0.666700 0.250000 0.03 -6M2 100 2 MO 1 1.0000
S 0.333300 0.666700 0.625000 0.03 3M(100) 4 S 2 1.0000
Thermal parameters multiplied by 100.0 are
Name U11 U22 U33 U12 U13 U23
Mo 0.03 0.03 0.03 0.00 0.00 0.00
S 0.03 0.03 0.03 0.00 0.00 0.00
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