DIFABS-GENERAL
4.32 - DIFABS absorption correction (General version)
Synopsis
This version of DIFABS is a general version, implemented through PLATON.
It is more automated than the CAD4 version and gives a graphical display of the
calculated absorption surface. Please read also
the misuse of DIFABS
Files read
- name.INS - atoms may have either
ISOTROPIC or ANISOTROPIC thermal parameters. The program converts these
internally to isotropic parameters before creating the structure factor file.
- name.HKL - uncorrected reflection file written by programs XCAD4 or
PROFIT. Direction cosines are required, which MUST correspond to the
unit cell in the name.INS file.
Files written
- DIFABS.HKL - absorption corrected reflection file
- ABSORB.LST - PLATON list file giving summary of the applied corrections
- ABSORB.CIF - CIF containing relevant information