[GSAS-II] About PDF in GSAS2

[Suchomel, Matthew R.]

Shoaib,

Unfortunately, it appears that no tutorial for the PDF features in GSAS-II exists yet.  This was added recently to GSAS-II and as such is not completely documented yet.

In the meantime you might consider one of several other free packages available - including PDFgetX3.
https://www.google.com/search?q=PDFgetX3

There several tutorials and example data sets you can work through.  In the course of those exercises you will see why it is very difficult to perform meaningful PDF analysis with data collected on Cu Ka wavelength data.

cheers
Matthew

******************************
Matthew Suchomel, Ph.D.
Lead Scientist for Beamline 11-BM
Advanced Photon Source
Argonne National Laboratory
9700 S. Cass Ave, Bldg. 433-D003
Argonne, IL 60439
phone: 630-252-3524



On Oct 20, 2013, at 22:00 , Shoaib Muhammad <mshoaibce at gmail.com<mailto:mshoaibce at gmail.com>>
 wrote:

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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