Changeset 1782 for trunk/GSASIIstrMain.py

Timestamp:

Apr 8, 2015 11:42:52 AM (8 years ago)

Author:

vondreele

Message:

fix display of fixed wavelength selection
show no. user rejected refl. in lst file after least squares
improve color display for Refl. Lists
skip user rejected reflections in single crystal cif output

File:

• trunk/GSASIIstrMain.py (modified) (1 diff)

trunk/GSASIIstrMain.py

@@ -92 +92 @@
         Rvals['Rwp'] = np.sqrt(Rvals['chisq']/Histograms['sumwYo'])*100.      #to %
         Rvals['GOF'] = np.sqrt(Rvals['chisq']/(Histograms['Nobs']-len(varyList)))
-        print >>printFile,' Number of function calls:',result[2]['nfev'],' Number of observations: ',Histograms['Nobs'],' Number of parameters: ',len(varyList)
+        print >>printFile,' Number of function calls:',result[2]['nfev'],   \
+            ' Number of observations: ',Histograms['Nobs'],' User rejected: ',Histograms['Nrej'],   \
+            ' Number of parameters: ',len(varyList)
         print >>printFile,' Refinement time = %8.3fs, %8.3fs/cycle, for %d cycles'%(runtime,runtime/ncyc,ncyc)
         print >>printFile,' wR = %7.2f%%, chi**2 = %12.6g, reduced chi**2 = %6.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF']**2)