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Hi Huang,
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<div class=""> First of all Si is not a good standard to use for instrument parameters. It has no peaks at low angle. LaB6 is a better choice. If you do not have that, perhaps others seeing this can recommend something readily available with plenty of sharp
peaks. </div>
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<div class=""> GSAS-II has no limits on the number of phases that can be read, but there was a bug with reading that particular CIF. In it the element types were specified as Ti0, Fe0 and O0 which GSAS-II could not process. I have repaired this bug in version
#4887. </div>
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<div class="">Brian</div>
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<div class="">On Apr 18, 2021, at 6:04 PM, Huang Liu via GSAS-II <<a href="mailto:gsas-ii@aps.anl.gov" class="">gsas-ii@aps.anl.gov</a>> wrote:</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">Hi, </div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">This is Huang Liu from the University of Utah. I am trying to use GSAS 2 to do refinement on my data.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">1.</span><span style="font-size: 12pt;" class=""> </span><span style="font-size: 12pt;" class="">I try to get the instrument parameters according to the tutorial</span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class=""> (</span><a href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm" class="OWAAutoLink" id="LPlnk164859" previewremoved="true" style="font-size: 12pt;">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm</a><span style="font-size: 12pt;" class="">)</span><span style="font-size: 12pt;" class="">. </span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-size: 12pt;" class="">But the U parameters that I get are always negative, and the Rwp is above 10</span><span style="font-size: 12pt;" class="">. I am using the data generated by</span><b style="font-size: 12pt;" class="">Rigaku
mini flex 600<span class="Apple-converted-space"> </span></b><span style="font-size: 12pt;" class="">by<span class="Apple-converted-space"> </span></span><b style="font-size: 12pt;" class="">using SRM Si 640d</b><span style="font-size: 12pt;" class=""><span class="Apple-converted-space"> </span>as
a standard sample for generating instrument profile parameters.</span><span style="font-size: 12pt;" class=""> The attached file (Si-640d) is the original data. </span><br class="">
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">Could you please help me generate the instrument profile? Thank you very much.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">2. I try to import Ti2Fe4O phase into the GSAS2, but I failed.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Since this is the third phase that I want to import. May I ask is there a phase quantities limit of import? </div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">If not, is there anything wrong with my CIF file (I downloaded it from the COD website?</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Attached is the <span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols; font-size: 16px;" class="">Ti2Fe4O
cif card downloaded from COD website.</span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">I would be very grateful if you can help me. Looking forward to your reply.</div>
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<div style="margin-top: 0px; margin-bottom: 0px;" class="">Best regards,</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Huang Liu</div>
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<span id="cid:E70B64A9-4FB2-4F1A-B79D-45E36EBDE325@hsd1.il.comcast.net."><Si-640d.ras></span><span id="cid:BF5167F2-EEB8-4CFD-81E1-3D67F628EC6C@hsd1.il.comcast.net."><Ti4Fe2O.cif></span><span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;" class="">_______________________________________________</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;" class="">
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mailing list</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;" class="">
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