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