Changeset 1044 for trunk/exports


Ignore:
Timestamp:
Aug 29, 2013 8:04:46 AM (8 years ago)
Author:
vondreele
Message:

provide example for form factor cif stuff (no new code)

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/exports/G2cif.py

    r1039 r1044  
    603603            # added to the loop here but only in the one-block case.
    604604            # For multiblock CIFs, scattering factors go in the histogram
    605             # blocks  (for all atoms in all appropriate phases)
     605            # blocks  (for all atoms in all appropriate phases) - an example?:
     606#loop_
     607#    _atom_type_symbol
     608#    _atom_type_description
     609#    _atom_type_scat_dispersion_real
     610#    _atom_type_scat_dispersion_imag
     611#    _atom_type_scat_source
     612#    'C' 'C' 0.0033 0.0016
     613#                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
     614#    'H' 'H' 0.0000 0.0000
     615#                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
     616#    'P' 'P' 0.1023 0.0942
     617#                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
     618#    'Cl' 'Cl' 0.1484 0.1585
     619#                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
     620#    'Cu' 'Cu' 0.3201 1.2651
     621#                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    606622
    607623            #if oneblock: # add scattering factors for current phase here
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