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
  1. 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.
  2. 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
  1. DIFABS.HKL - absorption corrected reflection file
  2. ABSORB.LST - PLATON list file giving summary of the applied corrections
  3. ABSORB.CIF - CIF containing relevant information