ANALYTICAL ABSORB

4.11 - ANALYTICAL Absorption Correction

Synopsis
The procedure of de Meulenaar, Tompa and Alcock as implemented in PLATON is used. The required data are the indices of the faces (which must make up a closed polyhedron) and the distance of the centre of rotation of the polyhedron to each face (in mm).
The required files are name.INS and name.HKL. The latter file MUST contain direction cosines corresponding to the cell in the name.INS file. The direction cosines are removed in the output file.

Files read
  1. name.INS (for unit cell information only).
  2. name.HKL - uncorrected reflection file.
  3. FACES.DEF - face indices and distances. This file may also be created interactively by the program.
Files written
  1. ANALYTICAL.HKL - absorption corrected reflection file
  2. ABSORB.LST - PLATON list file giving a list of the applied corrections
  3. ABSORB.CIF - CIF containing relevant information