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example.json
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37 lines (37 loc) · 1.61 KB
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{"refinements":
[
{"skip":true, "call":"SetParams"},
{ "set": {"Background": {"no. coeffs": 3, "refine": true}},
"call":"HistStats", "output": "step4.gpx"},
{ "set": {"Cell": true}, "call":"HistStats", "output": "step5.gpx"},
{ "set": {"HStrain": true},
"histograms": [0], "phases": [0], "call":"HistStats", "output": "step6.gpx"},
{ "set": {"Mustrain": {"type": "isotropic", "refine": true},
"Size": {"type": "isotropic", "refine": true}},
"histograms": [0], "call":"HistStats", "output": "step7.gpx"},
{ "set": {"Sample Parameters": ["Shift"]},
"histograms": [0], "skip": true},
{ "set": {"Atoms": {"all": "XU"},
"Sample Parameters": ["DisplaceX", "DisplaceY"]},
"histograms": [1], "call":"HistStats", "output": "step8.gpx"},
{ "set": {"Limits": [16.0, 158.4]},
"histograms": [0], "skip": true},
{ "set": {"Limits": [19.0, 153.0]},
"histograms": [1], "skip": true},
{ "set": {"Instrument Parameters": ["U", "V", "W"]},
"call":"HistStats", "output": "step9.gpx"}
],
"code":
["global HistStats",
"def HistStats(gpx):",
" '''prints profile rfactors for all histograms'''",
" print(u'*** profile Rwp, '+os.path.split(gpx.filename)[1])",
" for hist in gpx.histograms():",
" print('\t{:20s}: {:.2f}'.format(hist.name,hist.get_wR()))",
" print()",
"global SetParams",
"def SetParams(proj): print('SetParams')",
"proj.data['Controls']['data']['max cyc'] = 8 # not in API",
"proj.histogram(1).data['Sample Parameters']['Gonio. radius'] = 650. # not in API"
]
}