Changeset 1779
- Timestamp:
- Apr 6, 2015 3:45:25 PM (8 years ago)
- Location:
- trunk
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r1776 r1779 3084 3084 file.write("%s \n" % (name+' Peak List')) 3085 3085 if len(peaks[0]) == 8: 3086 file.write('%10s %12s %10s %10s \n'%('pos','int','sig','gam'))3086 file.write('%10s %12s %10s %10s %10s\n'%('pos','int','sig','gam','FWHM')) 3087 3087 else: 3088 file.write('%10s %12s %10s %10s %10s %10s \n'%('pos','int','alp','bet','sig','gam'))3088 file.write('%10s %12s %10s %10s %10s %10s %10s\n'%('pos','int','alp','bet','sig','gam','FWHM')) 3089 3089 for peak in peaks: 3090 3090 if len(peak) == 8: #CW 3091 file.write("%10.5f %12.2f %10.3f %10.3f \n" % \ 3092 (peak[0],peak[2],peak[4],peak[6])) 3091 FWHM = G2pwd.getgamFW(peak[6],peak[4]) 3092 file.write("%10.5f %12.2f %10.3f %10.3f %10.3f \n" % \ 3093 (peak[0],peak[2],peak[4],peak[6],FWHM)) 3093 3094 else: #TOF - more cols 3094 file.write("%10.5f %12.2f %10.3f %10.3f %10.3f %10.3f\n" % \ 3095 (peak[0],peak[2],peak[4],peak[6],peak[8],peak[10])) 3095 FWHM = G2pwd.getgamFW(peak[10],peak[8]) 3096 file.write("%10.5f %12.2f %10.3f %10.3f %10.3f %10.3f %10.3f\n" % \ 3097 (peak[0],peak[2],peak[4],peak[6],peak[8],peak[10],FWHM)) 3096 3098 item2, cookie2 = self.PatternTree.GetNextChild(item, cookie2) 3097 3099 item, cookie = self.PatternTree.GetNextChild(self.root, cookie) -
trunk/GSASIIgrid.py
r1778 r1779 2249 2249 data['shift factor'] = 1. 2250 2250 data['max cyc'] = 3 2251 data['F**2'] = True2251 data['F**2'] = False 2252 2252 data['minF/sig'] = 0 2253 2253 if 'shift factor' not in data: … … 2279 2279 choices = GetPatternTreeDataNames(G2frame,['PWDR',]) 2280 2280 sel = [] 2281 if 'Seq Data' in data: 2282 for item in data['Seq Data']: 2283 sel.append(choices.index(item)) 2284 sel = [choices.index(item) for item in data['Seq Data']] 2281 try: 2282 if 'Seq Data' in data: 2283 for item in data['Seq Data']: 2284 sel.append(choices.index(item)) 2285 sel = [choices.index(item) for item in data['Seq Data']] 2286 except ValueError: #data changed somehow - start fresh 2287 sel = [] 2285 2288 dlg = G2G.G2MultiChoiceDialog(G2frame.dataFrame, 'Sequential refinement', 2286 'Select dataset to include', 2287 choices) 2289 'Select dataset to include',choices) 2288 2290 dlg.SetSelections(sel) 2289 2291 names = [] -
trunk/GSASIIplot.py
r1774 r1779 2640 2640 Plot.plot(X,Y,color='k',label=str(PH)) 2641 2641 Plot.legend(loc='best') 2642 Plot.set_title('Axial distribution for HKL='+str(PH)+' in '+phase )2642 Plot.set_title('Axial distribution for HKL='+str(PH)+' in '+phase+'\n'+hist) 2643 2643 Plot.set_xlabel(r'$\psi$',fontsize=16) 2644 2644 Plot.set_ylabel('MRD',fontsize=14)
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