[GSAS-II] Preventing bail-out in sequential refinements

[Ivo Alxneit]

Dear all,

I regularly run into the following problem when doing sequential
refinements (with 1000+ histograms): One refinement fails, often with an
invalid metric tensor, and my script or the GUI bails out. It would be
nice if this would not happen but the processing would continue after
marking the results for the failed refinement invalid (e.g. setting the
refined parameters to their initial values (or using the data from the
previous histogram in the sequence) and just removing the data for the
failed refinement/histogram from the results table. This would leave all
data in the project tree numerically valid and would prevent issues in
later refinements. This would also allow "Copy results to next
histograms" continue to work as numerically valid but non-optimal data
is copied).

Meanwhile, is there a way to access the results of the successful part
of the refinement sequence in scriptable? Is p.seqref() already
populated with the correct data? Or can I get them from the HAP-data?

Thanks for the help
-- 
Dr. Ivo Alxneit
Catalysis for Energy 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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