[GSAS-II] LeBail extraction

Ivo Alxneit ivo.alxneit at psi.ch
Mon Sep 14 03:13:15 CDT 2020


Dear all

how would I do a LeBail extraction / fit in GSASII. I found no
information about this. Yes I found the tutorials on LeBail for
GSAS/EXPGUI but do not see how this relates to GSASII.

In GSASII it seems that I can set a flag (per phase) on/off for LeBail.
And then ... Also how would I choose between original (no structural
info used) to weighted (structural model as starting point for
intensities / structure factors).

Any hints appreciated.
-- 
Dr. Ivo Alxneit
Applied Catalysis and Spectroscopy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/acs/

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