[GSAS-II] Refinement Controls in GSAS Scriptable?

[Creuziger, Adam Abel (Fed)]

Shortly after I sent this, I kept scrolling in the tutorials. It looks like the tutorial on sequential refinement includes some of these settings.

https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#sequential-refinement

The project dicts and refinement-recipe seem to focus on the histogram and phase parameters, not the global ones.

Apparently I need to RTFM more...

On Jul 6, 2020, at 3:31 PM, Toby, Brian H. <toby at anl.gov<mailto:toby at anl.gov>> wrote:

Hi Adam,

  Not all GSAS-II controls are exposed in the GUI (I am working on a mechanism for more generic access to controls) but the initial author of gsas2scriptable did create a mechanism for setting a bunch of refinement controls:

See https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#project-dicts<https://gcc02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgsas-ii.readthedocs.io%2Fen%2Flatest%2FGSASIIscriptable.html%23project-dicts&data=02%7C01%7Cadam.creuziger%40nist.gov%7C40cda9ec9f8f46c0257508d821e33a04%7C2ab5d82fd8fa4797a93e054655c61dec%7C1%7C0%7C637296607101476227&sdata=s9pCAeR4WC9Ai9k4mIucGfPlcUCeYkXryHd3cLObqyU%3D&reserved=0> and https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#refinement-recipe<https://gcc02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgsas-ii.readthedocs.io%2Fen%2Flatest%2FGSASIIscriptable.html%23refinement-recipe&data=02%7C01%7Cadam.creuziger%40nist.gov%7C40cda9ec9f8f46c0257508d821e33a04%7C2ab5d82fd8fa4797a93e054655c61dec%7C1%7C0%7C637296607101476227&sdata=GWdSG8Pz9Bd%2F38wlCqu5jKOpPrnBESXUZXUf%2BJ3kc7s%3D&reserved=0>. Will that do what you want?

Brian

On Jul 6, 2020, at 1:37 PM, Creuziger, Adam Abel (Fed) via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

I was wondering where the refinement controls are set in the GSAS scriptable interface?  I am following the tutorial at:
 https://gsas-ii.readthedocs.io/en/latest/GSASIIscriptable.html#peak-fitting<https://gcc02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgsas-ii.readthedocs.io%2Fen%2Flatest%2FGSASIIscriptable.html%23peak-fitting&data=02%7C01%7Cadam.creuziger%40nist.gov%7C40cda9ec9f8f46c0257508d821e33a04%7C2ab5d82fd8fa4797a93e054655c61dec%7C1%7C0%7C637296607101486183&sdata=5k9FEdzfz6vdTIqtUZD0yE6WxyCOkKQTM5xczTu1cpw%3D&reserved=0>

and dug around a bit in the ‘GSASIIscriptable.py’ file, but could not find them.

Thanks!
____________________________
Dr. Adam Creuziger
National Institute of Standards and Technology (NIST)
Gaithersburg, MD USA 20899.8553
Office 301-975-6015
adam.creuziger at nist.gov<mailto:adam.creuziger at nist.gov>

Visiting Research Affiliate Faculty, Metallurgical and Materials Engineering. Colorado School of Mines



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