Changeset 3030 for trunk/GSASIIphsGUI.py
- Timestamp:
- Aug 28, 2017 3:29:45 PM (5 years ago)
- File:
-
- 1 edited
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trunk/GSASIIphsGUI.py
r3029 r3030 3291 3291 3292 3292 def OnValidProtein(event): 3293 resNames,Probs = G2mth.validProtein(data) 3294 G2plt.PlotAAProb(G2frame,resNames,Probs,Title='Error score for %s'%(data['General']['Name']), 3295 thresh=[8.0,6.0]) 3296 # thresh=[17.190823041860433,11.526684477428809]) 3293 old = GSASIIpath.GetConfigValue('Old protein validator',True) 3294 resNames,Probs = G2mth.validProtein(data,old) 3295 if old: #duplicate errat.f 3296 print 'Protein validation based on errat.f' 3297 print 'Ref: Colovos, C. & Yeates, T.O. Protein Science 2, 1511-1519 (1991).' 3298 print 'Residue error scores >6 for 5% & >8 for 1% likelihood of being correct' 3299 G2plt.PlotAAProb(G2frame,resNames,Probs,Title='Error score for %s'%(data['General']['Name']), 3300 thresh=[8.0,6.0]) 3301 else: 3302 print 'Protein validation based on erratv2.cpp; by D. Obukhov & T. Yeates' 3303 print 'Ref: Colovos, C. & Yates, T.O. Protein Science 2, 1511-1519 (1991).' 3304 print 'Residue error scores >11.5 for 5% & >17.2 for 1% likelihood of being correct' 3305 G2plt.PlotAAProb(G2frame,resNames,Probs,Title='Error score for %s'%(data['General']['Name']), 3306 thresh=[17.191,11.527]) 3297 3307 3298 3308 def OnSetAll(event):
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