Changeset 1045 for trunk/exports


Ignore:
Timestamp:
Aug 29, 2013 12:52:36 PM (8 years ago)
Author:
vondreele
Message:

fix Fourier map problems - didn't like Fo<0.
use ErrorDialog? for some errors.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2cif.py

    r1044 r1045  
    113113            #WriteCIFitem('_refine_ls_shift/su_max',DAT1)
    114114            #WriteCIFitem('_refine_ls_shift/su_mean',DAT2)
     115            #WriteCIFitem('_refine_diff_density_max',rhomax)    #these need to be defined for each phase!
     116            #WriteCIFitem('_refine_diff_density_min',rhomin)
    115117            WriteCIFitem('_computing_structure_refinement','GSAS-II (Toby & Von Dreele, 2013)')
    116118            try:
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