[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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