Changeset 2689


Ignore:
Timestamp:
Feb 3, 2017 4:43:25 PM (5 years ago)
Author:
vondreele
Message:

improve DepCorr? needed dist2/1000 - no rescaling needed - now almost constant with distance
some cleanup of seq. PDF peak fitting

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIimage.py

    r2687 r2689  
    6969    'Needs a doc string'
    7070#    return dep*(1.-npcosd(abs(tilt*npsind(azm))-tth*npcosd(azm)))  #something wrong here
    71     return dep*(1.-npcosd(tth))*dist         #best one
     71    return dep*(1.-npcosd(tth))*dist**2/1000.         #best one
    7272#    return dep*npsind(tth)             #not as good as 1-cos2Q
    7373       
  • trunk/GSASIIpwd.py

    r2688 r2689  
    439439    result = so.leastsq(errPDFProfile,values,full_output=True,ftol=0.0001,
    440440           args=(X,Y,parmDict,varyList))
    441 #    chisq = np.sum(result[2]['fvec']**2)
     441    chisq = np.sum(result[2]['fvec']**2)
    442442    Values2Dict(parmDict, varyList, result[0])
    443443    SetParms(peaks,parmDict,varyList)
     444    Rvals['Rwp'] = np.sqrt(chisq/np.sum(Y**2))*100.      #to %
    444445    chisq = np.sum(result[2]['fvec']**2)/(len(X)-len(values))   #reduced chi^2 = M/(Nobs-Nvar)
    445     Rvals['Rwp'] = np.sqrt(chisq/np.sum(Y**2))*100.      #to %
    446     Rvals['GOF'] = chisq/(len(X)-len(varyList))       #reduced chi^2
    447446    sigList = list(np.sqrt(chisq*np.diag(result[1])))   
    448447    Z = CalcPDFpeaks(parmDict,X)
  • trunk/GSASIIpwdGUI.py

    r2688 r2689  
    54005400                    name = Names[item]
    54015401                    names.append(name)
    5402                     print 'PDF peak fitting',name
    54035402                    pId = G2gd.GetPatternTreeItemId(G2frame,G2frame.root,name)
    54045403                    data = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,pId, 'PDF Controls'))
     
    54255424        G2plt.PlotISFG(G2frame,data,peaks=peaks,newPlot=False)
    54265425        wx.CallAfter(UpdatePDFPeaks,G2frame,peaks,data)
    5427        
    5428        
    54295426
    54305427    if G2frame.dataDisplay:
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