{"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" ] }