Ignore:
Timestamp:
Mar 1, 2020 1:19:50 AM (20 months ago)
Author:
vondreele
Message:

make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF.
Fix 2X issue in xray scale factor for .bragg files

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIscriptable.py

    r4327 r4334  
    25792579        self.names.append([PDFname]+['PDF Controls', 'PDF Peaks'])
    25802580        self.data[PDFname] = PDFdict
    2581         for i in 'I(Q)','S(Q)','F(Q)','G(R)':
     2581        for i in 'I(Q)','S(Q)','F(Q)','G(R)','g(r)':
    25822582            self.data[PDFname]['PDF Controls'][i] = []
    25832583        G2fil.G2Print('Adding "{}" to project'.format(PDFname))
     
    26082608            'DetType':'Area detector','ObliqCoeff':0.2,'Ruland':0.025,'QScaleLim':[20,25],
    26092609            'Lorch':False,'BackRatio':0.0,'Rmax':100.,'noRing':False,'IofQmin':1.0,'Rmin':1.0,
    2610             'I(Q)':[],'S(Q)':[],'F(Q)':[],'G(R)':[]}
     2610            'I(Q)':[],'S(Q)':[],'F(Q)':[],'G(R)':[],'g(r)':[]}
    26112611
    26122612        fo = open(prmfile,'r')
     
    52765276        data['F(Q)'] = xydata['FofQ']
    52775277        data['G(R)'] = xydata['GofR']
     5278        data['g(r)'] = xydata['gofr']
    52785279
    52795280    def optimize(self,showFit=True,maxCycles=5,
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