[GSAS-II] About PDF in GSAS2

Shoaib Muhammad mshoaibce at gmail.com
Sun Oct 20 22:00:19 CDT 2013


Hi,

I am a beginner in crystallography and GSAS2. I can see the "Pair 
Distribution Function" in GSAS2 but can't successfully work with it. I 
have checked the tutorial provided on the following page:
https://subversion.xor.aps.anl.gov/trac/pyGSAS/wiki

I will be very thank if any body could point me towards any other 
tutorial or short guide which could help in using this feature because 
not many software are available for pair distribution function 
evaluation at the moment.

What I have tried is imported HRPD data, done refinement and then 
selected "make new PDF's" from main menu "Calculate" option and select 
the desired powder data. Entry of PDF xxx Bank1 appears in tree menu.
In "PDF Controls" I select "Compute PDF" but I get straight line in 
G(R), F(Q) and S(Q). Is it possible to use the background calculated 
during refinement if I dont have separate background file and what file 
I have to select in container file?

Is is possible to get PDF from high quality HRPD data recorded at 
wavelength 1.54?

Thanks,
Shoaib


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