Changeset 3712 for trunk/GSASIIpwd.py
- Timestamp:
- Oct 30, 2018 8:50:07 AM (4 years ago)
- File:
-
- 1 edited
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trunk/GSASIIpwd.py
r3565 r3712 373 373 xydata['GofR'] = copy.deepcopy(xydata['FofQ']) 374 374 nR = len(xydata['GofR'][1][1]) 375 mul = int(round(2.*np.pi*nR/(data.get('Rmax',100.)*qLimits[1]))) 375 Rmax = GSASIIpath.GetConfigValue('PDF_Rmax',100.) 376 mul = int(round(2.*np.pi*nR/(Rmax*qLimits[1]))) 377 # mul = int(round(2.*np.pi*nR/(data.get('Rmax',100.)*qLimits[1]))) 376 378 xydata['GofR'][1][0] = 2.*np.pi*np.linspace(0,nR,nR,endpoint=True)/(mul*qLimits[1]) 377 379 xydata['GofR'][1][1] = -dq*np.imag(fft.fft(xydata['FofQ'][1][1],mul*nR)[:nR])
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