[GSAS-II] Instrument parameters

[Huang Liu]

Hi,


This is Huang Liu from the University of Utah. I am trying to use GSAS 2 to do refinement on my data.

1. I try to get the instrument parameters according to the tutorial

 (https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm).

But the U parameters that I get are always negative, and the Rwp is above 10. I am using the data generated by Rigaku mini flex 600 by using SRM Si 640d as a standard sample for generating instrument profile parameters.   The attached file (Si-640d) is the original data.

Could you please help me generate the instrument profile?  Thank you very much.

2. I try to import Ti2Fe4O phase into the GSAS2, but I failed.

Since this is the third phase that I want to import. May I ask is there a phase quantities limit of import?

If not, is there anything wrong with my CIF file (I downloaded it from the COD website?

Attached is the Ti2Fe4O cif card downloaded from COD website.

I would be very grateful if you can help me. Looking forward to your reply.


Best regards,

Huang Liu
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