[GSAS-II] extracting results from failed sequential refinement

Ivo Alxneit ivo.alxneit at psi.ch
Fri Nov 22 08:14:58 CST 2019


Dear all

once in a while during my sequential refinements GSASII (scriptable)
stops with a (refinement) error as below.

Refining with PWDR data_3264.xye
 ***** Refinement error *****
gpx file saved as /home/alxneit/local_data/95_19/b/batch_02.gpx

At this point the "Sequential results" data structure has not yet been
populated. How can I extract the results of the part in the sequence
that succeeded? Can I just e.g. iterate through all phases/histograms
and read the corresponding HAP data (just making sure that I stop at the
histogram that caused the error)?

gruss
-- 
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/ceg/

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