Dear All,
I want to get correct values of Particle Size and Strain by Rietveld Refinement in GSAS2. I will briefly summarize what I have done so far. I obtained the exact instrument parameter from HRPD beam line and used it. Instrument parameter file was supposed to be used in Fullprof and has the following text: "Myresolution function 0.000030 0.000050 0.000110 0 0 0" In order to use it in GSAS2 instrument parameter file, I multiplied first three term by 1803.4 and used as U V W and inserted 0 in X and Y of GSAS2 instrument parameters. During the refinement I did not refine the "Instrument Parameters" and tried to match the peak shape by refining the "Crystal Size" and "Microstrain" only, under Profile/Data tab. Refinement process proceeds but I am unable to match the experimental peak profile with the calculated one to a good extent. I have following queries and will be thankful if somebody answer it. 1- In old GSAS there were couple of Peak profile function like "Pseudo Voith" and may be Pearson VII also. How can I select/refine these peak Profile functions in GSAS2? 2- Is it correct to fix U,V,W, X,Y in GSAS2 in-order to calculate "Crystal Size" and "Microstrain"? 3- Can I refine "Crystal Size" and "Microstrain" together? 4- What does it mean by LGmin check box in Profile/Data tab? 5- How to export the strain data to plot the image? I selected Mustrain plot type, I can see the preview in plot window but can't export data. If Mustrain is selected and I run the refinement, GSAS2 quits and I can't open this file again. It always say "Python stopped working". Thanks, /Shoaib
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