SPHERICAL ABSORB

4.13 - SPHERICAL Absorption Correction

Synopsis
This provides a correction for spherical crystals, effectively the theta dependence of the absorption surface. This method has also been implemented in PLATON (use the graphical interface under absorption menu).
If muR exceeds 10.0 the program is aborted, as the errors will be too large. The only required input is the mean spherical radius of the crystal in mm. The correction is calculated by interpolation of data from International Tables. If direction cosines are present in the input reflection file, these will be echoed to the output file.

Files read
  1. name.INS (for unit cell information only)
  2. name.HKL - uncorrected reflection file
Files written
  1. SPHERICAL.HKL - absorption corrected reflection file
  2. ABSORB.CIF - CIF containing relevant information