Changeset 1483 for trunk/GSASII.py

Timestamp:

Sep 2, 2014 4:45:58 PM (9 years ago)

Author:

vondreele

Message:

fix Export of HKLs from PWDR histograms

File:

• trunk/GSASII.py (modified) (1 diff)

trunk/GSASII.py

@@ -2839 +2839 @@
                                     peaks = data[phase]
                                     file.write("%s %s %s \n" % (name,phase,' Reflection List'))
-                                    file.write('%s \n'%(' h  k  l  m  d-space 2-theta wid F**2'))                
-                                    for peak in peaks:
+                                    if 'T' in peaks.get('Type','PXC'):
+                                        file.write('%s \n'%('   h   k   l   m    d-space     TOF         wid        F**2'))
+                                    else:                
+                                        file.write('%s \n'%('   h   k   l   m    d-space   2-theta       wid        F**2'))
+                                    for peak in peaks['RefList']:
                                         FWHM = G2pwd.getgamFW(peak[7],peak[6])/50.      #to get delta-2-theta in deg.
-                                        file.write(" %3d %3d %3d %3d %10.5f %10.5f %10.5f %10.3f \n" % \
-                                            (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[4],peak[5],FWHM,peak[8]))
+                                        if 'T' in peaks.get('Type','PXC'):
+                                            file.write(" %3d %3d %3d %3d %10.5f %10.2f %10.5f %10.3f \n" % \
+                                                (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[4],peak[5],FWHM,peak[8]))
+                                        else:
+                                            file.write(" %3d %3d %3d %3d %10.5f %10.5f %10.5f %10.3f \n" % \
+                                                (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[4],peak[5],FWHM,peak[8]))
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