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<p class="MsoNormal"><span lang="EN-US">Hi everyone,<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"> I am doing synchrotron X-ray PDF for the RMC simulations. The X-ray scattering has a disadvantage about the lighter atoms comparing with neutron, so I also got many problems when I do RMC to synchrotron X-ray
PDF. I had two questions still no one answer until now, so I ask this two questions again:<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">1. I got a very good fitting with just fitting F(Q) and G(r), but why the RMC fitting go to terrible noise again after I add Bragg data, with an increased weighting of the F(Q)? Below is the weight setting for my
job:<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">BRAGG :: <o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"> > WEIGHT :: 0.01<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">XRAY_RECIPROCAL_SPACE_DATA :: <o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"> > DATA_TYPE :: F(Q)<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"> > WEIGHT :: 0.5<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">2. For multiple RMC boxes refinement, can I do the the multiple RMC refinement based on the structure which has a good RMC refinement already?<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">Bests<o:p></o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><span lang="EN-US">Bo Jiang<o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="mso-fareast-language:JA">Postdoc</span><span lang="EN-US"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto"><span lang="EN-US" style="mso-fareast-language:JA">NTNU, Department of Materials Science and Engineering Cell phone: (+47) 94 24 98 88</span><span lang="EN-US"><o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"><o:p> </o:p></span></p>
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