[GSAS-II] GSASIIScriptable command to refine the spherical harmonics ('SH') of the preferred orientation ('Pref.Ori.') parameter

Gunawidjaja, Ray rayg at wsu.edu
Thu Aug 18 13:13:29 CDT 2022


Hello,

I am trying to include preferred orientation refinement into the example script below (in red font), but can’t find the right command on the website (https://gsas-ii.readthedocs.io/en/latest/). I would like to achieve the same result as selecting the Spherical harmonics Preferred orientation model with, e.g., a harmonic order of 2 in the Data table in GSASII GUI. to Please help.

    from __future__ import division, print_function
    import os,sys
    sys.path.insert(0,'/Users/toby/software/G2/GSASII') # needed to "find" GSAS-II modules
    import GSASIIscriptable as G2sc
    datadir = "/Users/Scratch/"

    gpx = G2sc.G2Project(os.path.join(datadir,'test2.gpx'))
    gpx.histogram(0).add_back_peak(4.5,30000,5000,0)
    pardict = {'set': {'Sample Parameters': ['Absorption', 'Contrast', 'DisplaceX'],
                       'Background': {'type': 'chebyschev-1', 'refine': True,
                                      'peaks':[[0,True]]},
                         'Pref.Ori. ':{ 'type': 'SH', ???????}
}}

           gpx.set_refinement(pardict)

I appreciate your help.
Thanks,
Ray

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