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<div><span></span>Hi Huang, </div><div><br></div><div> I experienced similar issue while importing CIF files into GSAS II. If you have an old version of GSAS (EXPGUI), it is very easy to import phases from EXPGUI. ( import phase From GSAS .exp file) Of course, you have to import phases into EXPGUI first. </div><div><br></div><div>Wen</div><div><br></div><div><br></div>
<blockquote style="margin-Top: 0px; margin-Bottom: 0px; margin-Left: 0.5em; margin-Right: inherit"><div> </div><div style="border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm"><div style="PADDING-RIGHT: 8px; PADDING-LEFT: 8px; FONT-SIZE: 12px;FONT-FAMILY:tahoma;COLOR:#000000; BACKGROUND: #efefef; PADDING-BOTTOM: 8px; PADDING-TOP: 8px"><div><b>From:</b> <a href="mailto:gsas-ii-request@aps.anl.gov">gsas-ii-request</a></div><div><b>Date:</b> 2021-04-25 01:00</div><div><b>To:</b> <a href="mailto:gsas-ii@aps.anl.gov">gsas-ii</a></div><div><b>Subject:</b> GSAS-II Digest, Vol 303, Issue 1</div></div></div><div><div>Send GSAS-II mailing list submissions to</div>
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<div>Today's Topics:</div>
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<div> 1. Re: Instrument parameters (Leopoldo Suescun)</div>
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<div> </div>
<div>----------------------------------------------------------------------</div>
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<div>Message: 1</div>
<div>Date: Sat, 24 Apr 2021 11:53:27 -0300</div>
<div>From: Leopoldo Suescun <leopoldo@fq.edu.uy></div>
<div>To: "Toby, Brian H." <toby@anl.gov></div>
<div>Cc: Huang Liu <huang.liu@utah.edu>, Huang Liu via GSAS-II</div>
<div> <gsas-ii@aps.anl.gov></div>
<div>Subject: Re: [GSAS-II] Instrument parameters</div>
<div>Message-ID:</div>
<div> <CAAeV=thDqvA0vfZ2a6zoen9tH34vVaG3Y7yPTy8CBnWW2M2_LA@mail.gmail.com></div>
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<div>Hi Brian and Huang,</div>
<div>I use Y2O3 for this purpose. It is not very expensive and got a reasonable</div>
<div>amount of peaks at low angles. In order to minimize size and microstrain</div>
<div>effects, I fire pure Y2O3 for 3 days at 1200 ?C.</div>
<div>I hope it helps.</div>
<div>Leo</div>
<div> </div>
<div>El lun, 19 abr 2021 a las 23:59, Toby, Brian H. via GSAS-II (<</div>
<div>gsas-ii@aps.anl.gov>) escribi?:</div>
<div> </div>
<div>> Hi Huang,</div>
<div>></div>
<div>> First of all Si is not a good standard to use for instrument</div>
<div>> parameters. It has no peaks at low angle. LaB6 is a better choice. If you</div>
<div>> do not have that, perhaps others seeing this can recommend something</div>
<div>> readily available with plenty of sharp peaks.</div>
<div>></div>
<div>> GSAS-II has no limits on the number of phases that can be read, but</div>
<div>> there was a bug with reading that particular CIF. In it the element types</div>
<div>> were specified as Ti0, Fe0 and O0 which GSAS-II could not process. I have</div>
<div>> repaired this bug in version #4887.</div>
<div>></div>
<div>> Brian</div>
<div>></div>
<div>> On Apr 18, 2021, at 6:04 PM, Huang Liu via GSAS-II <gsas-ii@aps.anl.gov></div>
<div>> wrote:</div>
<div>></div>
<div>> Hi,</div>
<div>></div>
<div>> This is Huang Liu from the University of Utah. I am trying to use GSAS 2</div>
<div>> to do refinement on my data.</div>
<div>> 1. I try to get the instrument parameters according to the tutorial</div>
<div>> (</div>
<div>> https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm</div>
<div>> ).</div>
<div>> But the U parameters that I get are always negative, and the Rwp is above</div>
<div>> 10. I am using the data generated by*Rigaku mini flex 600 *by *using SRM</div>
<div>> Si 640d* as a standard sample for generating instrument profile</div>
<div>> parameters. The attached file (Si-640d) is the original data.</div>
<div>> Could you please help me generate the instrument profile? Thank you very</div>
<div>> much.</div>
<div>> 2. I try to import Ti2Fe4O phase into the GSAS2, but I failed.</div>
<div>> Since this is the third phase that I want to import. May I ask is there a</div>
<div>> phase quantities limit of import?</div>
<div>> If not, is there anything wrong with my CIF file (I downloaded it from the</div>
<div>> COD website?</div>
<div>> Attached is the Ti2Fe4O cif card downloaded from COD website.</div>
<div>> I would be very grateful if you can help me. Looking forward to your reply.</div>
<div>></div>
<div>> Best regards,</div>
<div>> Huang Liu</div>
<div>> <Si-640d.ras><Ti4Fe2O.cif>_______________________________________________</div>
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<div> </div>
<div> </div>
<div>-- </div>
<div>#YoUsoTapabocas y mantengo #DFS</div>
<div> </div>
<div>Prof. Agr. Dr. Leopoldo Suescun</div>
<div>Cryssmat-Lab/DETEMA, Facultad de Qu?mica, Universidad de la Rep?blica.</div>
<div>e-mail: leopoldo@fq.edu.uy</div>
<div>Tel: (+598) 29290705</div>
<div>Fax: (+598) 29241906*</div>
<div>Mailing address:</div>
<div>Cryssmat-Lab./DETEMA</div>
<div>Facultad de Quimica</div>
<div>Av. Gral. Flores 2124</div>
<div>Montevideo 11800</div>
<div>Uruguay</div>
<div> </div>
<div>Seguime en/Follow me at ResearchGate</div>
<div>https://www.researchgate.net/profile/Leopoldo_Suescun</div>
<div> </div>
<div>ORC*ID*: https://orcid.org/0000-0002-7606-8074</div>
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