Changeset 1539 for trunk/GSASIIstrMain.py
 Timestamp:
 Oct 26, 2014 10:30:34 AM (9 years ago)
 File:

 1 edited
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trunk/GSASIIstrMain.py
r1531 r1539 83 83 Rvals['Nobs'] = Histograms['Nobs'] 84 84 Rvals['Rwp'] = np.sqrt(Rvals['chisq']/Histograms['sumwYo'])*100. #to % 85 Rvals['GOF'] = Rvals['chisq']/(Histograms['Nobs']len(varyList))85 Rvals['GOF'] = np.sqrt(Rvals['chisq']/(Histograms['Nobs']len(varyList))) 86 86 print >>printFile,' Number of function calls:',result[2]['nfev'],' Number of observations: ',Histograms['Nobs'],' Number of parameters: ',len(varyList) 87 87 print >>printFile,' Refinement time = %8.3fs, %8.3fs/cycle, for %d cycles'%(runtime,runtime/ncyc,ncyc) 88 print >>printFile,' wR = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'] )88 print >>printFile,' wR = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF']**2) 89 89 IfOK = True 90 90 try: 91 covMatrix = result[1]*Rvals['GOF'] 91 covMatrix = result[1]*Rvals['GOF']**2 92 92 sig = np.sqrt(np.diag(covMatrix)) 93 93 if np.any(np.isnan(sig)): … … 364 364 365 365 print ' wR = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f, last delta chi = %.4f'%( 366 Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'] ,Rvals['DelChi2'])366 Rvals['Rwp'],Rvals['chisq'],Rvals['GOF']**2,Rvals['DelChi2']) 367 367 # add the uncertainties into the esd dictionary (sigDict) 368 368 sigDict = dict(zip(varyList,sig))
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