MULTISCAN ABSORB

4.23 - MULTISCAN Absorption Correction

Synopsis
This program requires the data set to contain an extensive set of equivalents, and is primarily of interest for data collected using area-detectors, which routinely have a large degree of over-determination. It models the absorption surface using a spherical harmonic series based on differences between equivalent reflections and will probably not be very effective for triclinic and monoclinic crystal systems (since these have fewer equivalences).

It is based on the code of Blessing in SORTAV and is implemented in PLATON It requires a .INS and .HKL file. The latter must have direction cosines consistent with the cell in the .INS file

Files read
  1. name.INS (for unit cell information only).
  2. name.HKL - uncorrected reflection file containing as many equivalents as possible.
Files written
  1. MULTSCAN.HKL - absorption corrected reflection file
  2. ABSORB.CIF - CIF containing relevant information
  3. ABSORB.LST - PLATON list file giving summary of the applied corrections