[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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