Changeset 2061 for trunk/GSASII.py
 Timestamp:
 Nov 19, 2015 9:15:05 AM (7 years ago)
 File:

 1 edited
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trunk/GSASII.py
r2056 r2061 3139 3139 file.write('#wavelength = %10.6f\n'%(wave)) 3140 3140 if 'T' in Type: 3141 file.write('#% 10s %12s %10s %10s %10s %10s %10s\n'%('pos','int','alp','bet','sig','gam','FWHM'))3141 file.write('#%9s %10s %12s %10s %10s %10s %10s %10s\n'%('pos','dsp','int','alp','bet','sig','gam','FWHM')) 3142 3142 else: 3143 file.write('#% 10s %12s %10s %10s %10s\n'%('pos','int','sig','gam','FWHM'))3143 file.write('#%9s %10s %12s %10s %10s %10s\n'%('pos','dsp','int','sig','gam','FWHM')) 3144 3144 for peak in peaks: 3145 dsp = G2lat.Pos2dsp(Inst,peak[0]) 3145 3146 if 'T' in Type: #TOF  more cols 3146 3147 FWHM = 2.*G2pwd.getgamFW(peak[10],peak[8]) #to get deltaTOF from Gam(peak) 3147 file.write("%10. 5f %12.2f %10.3f %10.3f %10.3f %10.3f %10.3f\n" % \3148 (peak[0], peak[2],np.sqrt(max(0.0001,peak[4])),peak[6],peak[8],peak[10],FWHM))3148 file.write("%10.2f %10.5f %12.2f %10.3f %10.3f %10.3f %10.3f %10.3f\n" % \ 3149 (peak[0],dsp,peak[2],np.sqrt(max(0.0001,peak[4])),peak[6],peak[8],peak[10],FWHM)) 3149 3150 else: #CW 3150 3151 FWHM = 2.*G2pwd.getgamFW(peak[6],peak[4]) #to get delta2theta in deg. from Gam(peak) 3151 file.write("%10. 5f %12.2f %10.5f %10.5f %10.5f \n" % \3152 (peak[0], peak[2],np.sqrt(max(0.0001,peak[4]))/100.,peak[6]/100.,FWHM/100.)) #convert to deg3152 file.write("%10.3f %10.5f %12.2f %10.5f %10.5f %10.5f \n" % \ 3153 (peak[0],dsp,peak[2],np.sqrt(max(0.0001,peak[4]))/100.,peak[6]/100.,FWHM/100.)) #convert to deg 3153 3154 item, cookie = self.PatternTree.GetNextChild(self.root, cookie) 3154 3155 file.close()
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