Changeset 1902 for trunk/exports


Ignore:
Timestamp:
Jun 22, 2015 11:42:30 AM (6 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:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2export_examples.py

    r1836 r1902  
    209209                    if 'T' in phasDict['Type']:
    210210                        h,k,l,m,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,x,x,x,prfo = refItem[:17]
    211                         FWHM = G2pwd.getgamFW(gam,sig)
     211                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
    212212                        self.Write(fmt.format(hklfmt.format(h,k,l,m),pos,Fobs,Fcalc,phase,mult,sig,gam,FWHM,prfo))
    213213                    else:
    214214                        h,k,l,m,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,prfo = refItem[:14]
    215                         FWHM = G2pwd.getgamFW(gam,sig)
     215                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
    216216                        self.Write(fmt.format(hklfmt.format(h,k,l,m),pos,Fobs,Fcalc,phase,mult, \
    217217                            np.sqrt(max(sig,0.0001))/100.,gam/100.,FWHM/100.,prfo))
     
    230230                    if 'T' in phasDict['Type']:
    231231                        h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,x,x,x,prfo = refItem[:16]
    232                         FWHM = G2pwd.getgamFW(gam,sig)
    233                         self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,sig,gam,FWHM,prfo))
     232                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
     233                        self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,np.sqrt(max(sig,0.0001)),gam,FWHM,prfo))
    234234                    else:
    235235                        h,k,l,mult,dsp,pos,sig,gam,Fobs,Fcalc,phase,x,prfo = refItem[:13]
    236                         FWHM = G2pwd.getgamFW(gam,sig)
     236                        FWHM = 2.*G2pwd.getgamFW(gam,sig)
    237237                        self.Write(fmt.format(hklfmt.format(h,k,l),pos,Fobs,Fcalc,phase,mult,   \
    238238                            np.sqrt(max(sig,0.0001))/100.,gam/100.,FWHM/100.,prfo))
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