Jennifer,
Yes. Start with SXTLDATA to read in the hkl file. It will ask for lots of stuff but
you will only really need h,k,l,Fo & sig(Fo). Then go to EXPEDT to put in the rest of
the stuff (atom positions, etc.).
Bob Von Dreele
-Original Message-
From: Jennifer Anderson [mailto:[EMAIL PROTECTED]
Sent: Thu 2/26/2004 9:14 AM
To: [EMAIL PROTECTED]
Hello,
Can I insert a single crystal data set into GSAS for a refinement without
having to reduce the data? Can I start the refinement from the hkl
intensity data file (ASCII), without entering the intrument specifics? ie
orientation angles, attenuation and wavelength? My data set has already
been reduced - I would just like to try the refinement.
Jennifer
--
Jennifer L. Anderson
Ph.D. Candidate - Mineralogy
Department of Geological Sciences
Miller Hall (312), Queen's University
Kingston, ON K7L 3N6
Tel: 613 483-7097