You can import unit cells & coordinates from CIFs into GSAS via EXPGUI. I think I wrote a routine to do the same from PowderCell .CEL files, but I don't remember for sure.

There should be an example that shows how this is done somewhere. Check my alumina tutorial or look on CCP14.

Brian

Von Dreele, Robert B. wrote:

Dear Marcelo (& others),
GSAS should do texture (sph. harmonics) with "film" data (or image plate) powder data. Image needs to be 
divided up in to 'pie' sections & integrated to give a sequence of patterns about the azimuth. The read them as 
separate "histograms" in GSAS & give each the appropriate azimuth angle (set that in histogram editing). 
Azimuthal angle is right handed looking away from source & zero is in right side horizontal facing the source. 
Hope that's clear.
GSAS will not read cif files.
Bob Von Dreele

________________________________

From: Marcelo J.G. Silva [mailto:[EMAIL PROTECTED]
Sent: Tue 5/18/2004 2:08 PM
To: [EMAIL PROTECTED]


Greetings all, I have to questions (to make it simple); any help is welcome, please.

I am trying to perform some refinement with Rietveld using GSAS and I am not sure if 
by loading the CIF or the CEL files already takes that into account. Can anyone help 
me, please?
I try to enter manually the values in EXPGUI but really am not sure which way is the 
correct.
Thank you.

I am also having a hard time fitting synchrotron data from a film (highly textured) and sometimes I wonder if it is possible. If someone can give a hint, I would really appreciate it, even if the hint is: not possible!!!


Marcelo

==========================================
Marcelo J. Gomes da Silva - [EMAIL PROTECTED]
PhD Candidate
Department of Mechanical and Nuclear Engineering
127 Reber Building, University Park, PA 16802 U.S.A.
The Pennsylvania State University
http://www.personal.psu.edu/mjg301/
==========================================






-- ******************************************************************** Brian H. Toby, Ph.D. Leader, Crystallography Team [EMAIL PROTECTED] NIST Center for Neutron Research, Stop 8562 voice: 301-975-4297 National Institute of Standards & Technology FAX: 301-921-9847 Gaithersburg, MD 20899-8562 http://www.ncnr.nist.gov/xtal ********************************************************************





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