[GSAS-II] GSAS|| scriptable: How to get cell parameters and esd from sequential refinement results

[Toby, Brian H.]

I have added a new object type (G2SeqRefRes<https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#g2seqrefres>) in GSASIIscriptable for getting information out of a sequential refinement — so far only unit cell & S.U.’s.

I also tracked down & corrected the errors preventing the docs from building correctly.

Brian


On May 24, 2019, at 3:10 AM, Ivo Alxneit via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

Dear all,

in GSASII scriptable I can get cell parameters and their esd values for
a phase by

for phase in phases:
 phase.get_cell_and_esd()

Is there a similar function for sequential refinements where I vary
HStrain? Something that would allow me to

data = project['Sequential results']['data']
for h in data['histNames']:
  data[h].get_cell_and_esd(phase_name)

Thanks for any help!

BTW: The section for scriptable has recently disappeared from
https://gsas-ii.readthedocs.io/en/latest/

gruss, ivo
--
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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