Dear Jan, While others have described methods of how to do this, it is not clear that you should do this as the relative intensities for hkl peaks with different d-spacings will necessarily change as a function of temperature due to the varying magnitude of the peak intensity reduction due to thermal displacement (as captured in B/u values).
-Peter Dr. Peter Khalifah, kp...@bnl.gov<mailto:kp...@bnl.gov> Associate Professor Chemist Dept. of Chemistry Dept. of Chemistry Stony Brook University Brookhaven National Laboratory Stony Brook, NY 11794-3400 Upton, NY 11973-5000 Office: 447 Grad. Chemistry Office: Bldg 555, Rm 340 Phone: (631)632-7796 Phone: (631)344-7689 Fax: (631)632-7960 Fax: (631)344-5815 Web page: https://sites.google.com/a/stonybrook.edu/pgk/home From: rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> On Behalf Of Jan Rohlicek Sent: Wednesday, June 6, 2018 4:56 AM To: rietveld_l@ill.fr Subject: getting intensities from multiple powder pattern Dear all, I would like to obtain integrated intensities from several (up to 5) powder patterns that were measured at different temperatures. My idea is to make fit by Pawley (or Le Bail?) method of all datasets at the same time and keep integrated intensities of individual hkls the same for all datasets. Do you know about some software, that can restrain or even fix integrated intensities between refined datasets? Thank you in advance, Jan Ing. Jan Rohlicek, Ph.D. Institute of Physics CAS Cukrovarnicka 10/112 162 00 Prague 6 Tel: (+420) 220 318 484 Email: rohli...@fzu.cz<mailto:rohli...@fzu.cz>
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