Ignore:
Timestamp:
Jan 10, 2022 10:15:57 AM (9 months ago)
Author:
toby
Message:

show that max(shtf/esd) is from all cycles; fix bug for install path w/underscore

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMain.py

    r5117 r5135  
    217217                ncyc = int(result[2]['nfev']/len(varyList))
    218218            if refPlotUpdate is not None: refPlotUpdate(Histograms)   # update plot
    219 #        table = dict(zip(varyList,zip(values,result[0],(result[0]-values))))
    220 #        for item in table: print item,table[item]               #useful debug - are things shifting?
     219        #table = dict(zip(varyList,zip(values,result[0],(result[0]-values))))
     220        #for item in table: print(item,table[item])               #useful debug - are things shifting?
    221221        runtime = time.time()-begin
    222222        Rvals['SVD0'] = result[2].get('SVD0',0)
     
    260260            sig = np.sqrt(np.diag(covMatrix))
    261261            Lastshft = result[0]-values     #NOT last shift since values is starting set before current refinement
     262            #table = dict(zip(varyList,zip(values,result[0],Lastshft,Lastshft/sig)))
     263            #for item in table: print(item,table[item])               #useful debug
    262264            Rvals['Max shft/sig'] = np.max(np.nan_to_num(Lastshft/sig))
    263265            if np.any(np.isnan(sig)) or not sig.shape:
    264266                G2fil.G2Print ('*** Least squares aborted - some invalid esds possible ***',mode='error')
     267            else:
     268                print('Maximum shift/esd = {:.3f} for all cycles'
     269                          .format(Rvals['Max shft/sig']))
    265270            # report on refinement issues. Result in Rvals['msg']
    266271            ReportProblems(result,Rvals,varyList)
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