[GSAS-II] GSAS|| scriptable: How to get cell parameters and esd from sequential refinement results
jlzhu04 at iphy.ac.cn
jlzhu04 at iphy.ac.cn
Fri May 24 05:06:10 CDT 2019
Dear Ivo,
You need go to the sequential results (left last), then selected the parameters you want, then go to columns/rows save selected as text or CSV.
Best,
Jinlong
> -----原始邮件-----
> 发件人: "Ivo Alxneit via GSAS-II" <gsas-ii at aps.anl.gov>
> 发送时间: 2019-05-24 16:10:14 (星期五)
> 收件人: gsas-ii at aps.anl.gov
> 抄送: c
> 主题: [GSAS-II] GSAS|| scriptable: How to get cell parameters and esd from sequential refinement results
>
> 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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