Changeset 1902 for trunk/exports/G2export_examples.py

Timestamp:

Jun 22, 2015 11:42:30 AM (8 years ago)

Author:

vondreele

Message:

suppress editing of 1st twin element; it is always the identity matrix and frac is 1-Sum(other twin fr)
make FWHM consistent with measured FWHM for all lists & exports of peak lists.

File:

• trunk/exports/G2export_examples.py (modified) (2 diffs)

trunk/exports/G2export_examples.py

@@ -209 +209 @@
                     if 'T' in phasDict['Type']:
                         h,k,l,m,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,x,x,x,prfo = refItem[:17]
-                        FWHM = G2pwd.getgamFW(gam,sig)
+                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
                         self.Write(fmt.format(hklfmt.format(h,k,l,m),pos,Fobs,Fcalc,phase,mult,sig,gam,FWHM,prfo))
                     else:
                         h,k,l,m,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,prfo = refItem[:14]
-                        FWHM = G2pwd.getgamFW(gam,sig)
+                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
                         self.Write(fmt.format(hklfmt.format(h,k,l,m),pos,Fobs,Fcalc,phase,mult, \
                             np.sqrt(max(sig,0.0001))/100.,gam/100.,FWHM/100.,prfo))
@@ -230 +230 @@
                     if 'T' in phasDict['Type']:
                         h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,x,x,x,prfo = refItem[:16]
-                        FWHM = G2pwd.getgamFW(gam,sig)
-                        self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,sig,gam,FWHM,prfo))
+                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
+                        self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,np.sqrt(max(sig,0.0001)),gam,FWHM,prfo))
                     else:
                         h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,prfo = refItem[:13]
-                        FWHM = G2pwd.getgamFW(gam,sig)
+                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
                         self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,   \
                             np.sqrt(max(sig,0.0001))/100.,gam/100.,FWHM/100.,prfo))