<p class="MsoNormal"><span style="font-size:12.0pt;line-height:115%;font-family:
"Times New Roman","serif"">Dear Hellen<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:12.0pt;line-height:115%;
font-family:"Times New Roman","serif";mso-ansi-language:EN-US">Thank you for
your kind help,<o:p></o:p></span></p>
<pre><span lang="EN-US" style="font-size:12.0pt;font-family:"Times New Roman","serif";
mso-ansi-language:EN-US">I will try to use a new configuration just treat the two A atoms separately.<o:p></o:p></span></pre>
<p class="MsoNormal" style="text-align:justify"><span lang="EN-US" style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif";
mso-ansi-language:EN-US">About the first question: Id like to use different
Qmax to obtain the best reciprocal and direct space resolution. <o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify"><span lang="EN-US" style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif";
mso-ansi-language:EN-US">The program has some limits in data number, then
(having high resolution diffraction data) I have to use a low Qmax to maintain
small 2theta steps. In my case it is not possible to use higher 2theta steps (I
have already tried) because this causes peak shifts. This, obviously,
influences the direct resolution in my PDF .<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify"><span lang="EN-US" style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif";
mso-ansi-language:EN-US"><br /></span></p><p class="MsoNormal" style="text-align:justify"><span lang="EN-US" style="font-size:12.0pt;line-height:115%;font-family:"Times New Roman","serif";
mso-ansi-language:EN-US">Best Regards<o:p></o:p></span></p><br /><span>Il 11/09/15 09:24, helen.playford@stfc.ac.uk ha scritto:</span><blockquote cite="mid:01F619F1CAECD84F9454726E29D1E696A84AD639@EXCHMBX03.fed.cclrc.ac.uk" class="iwcQuote" style="border-left: 1px solid #00F; padding-left: 13px; margin-left: 0;" type="cite"><div class="mimetype-text-plain">Hi Giorgia,<br /><br />For (1) it's theoretically possible, but not a good idea as the F(Q) and G(r) datasets should be directly related to each other. Can you tell us why you are wanting to do this?<br /><br />For (2) this shouldn't be a problem, you just need to put Atom A in twice (the program won't care if your atom list goes Fe Fe O, for example, it will just treat the two Fe atoms separately). How are you making your configurations at the moment? <br /><br />Once you have one with two different Atom A sites you can then apply whichever constraints you need to either of them. Hope that makes sense!<br /><br />Best wishes,<br />Helen<br /><br />-----Original Message-----<br />From: rmcprofile-users [<a href="mailto:rmcprofile-users-bounces@rmcprofile.org]">mailto:rmcprofile-users-bounces@rmcprofile.org]</a> On Behalf Of Giorgia Confalonieri<br />Sent: 07 September 2015 09:24<br />To: rmcprofile-users@rmcprofile.org<br />Subject: [RMCProfile-users] (no subject)<br /><br /><br />Hieverybody <br /><br />I'd like toask you some information: <br /><br />1) 1) Is it possible to use different max qQ Qmax for diffraction data andg(r), maybe specifying in .dat file? <br /><br />2) 2) I have the same atom distributed indifferent crystallographic sites, it is possible to move just a part of these? Letme explain: I have some Atoms A "linked" to Atoms B and some Atoms A "linked"to Atoms C, I'd like to use different constraints for the two group A. How can Ido? <br /><br />Thank you <br />Giorgia<br /><br />****************<br />Per destinare il 5x1000 all'Universita' degli Studi di Milano: indicare nella dichiarazione dei redditi il codice fiscale 80012650158.<br /><br /><a href="http://www.unimi.it/13084.htm?utm_source=firmaMail&utm_medium=email&utm_content=linkFirmaEmail&utm_campaign=5xmille" target="l">http://www.unimi.it/13084.htm?utm_source=firmaMail&utm_medium=email&utm_content=linkFirmaEmail&utm_campaign=5xmille</a><br /><br />-------------- next part --------------<br />An HTML attachment was scrubbed...<br />URL: <<a href="http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20150907/b0ab0a88/attachment.html" target="l">http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20150907/b0ab0a88/attachment.html</a>><br />_______________________________________________<br />rmcprofile-users mailing list<br />rmcprofile-users@rmcprofile.org<br /><a href="http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users" target="l">http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users</a><br /><br />_______________________________________________<br />rmcprofile-users mailing list<br />rmcprofile-users@rmcprofile.org<br /><a href="http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users" target="l">http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users</a><br /></div></blockquote>-- <br signature="separator" />Giorgia Confalonieri<div>PhD Student<br /><div>Dept.: Scienze della Terra</div><div>Universitą degli Studi di Milano</div></div><div><br /></div><div>email: giorgia.confalonieri@unimi.it</div>