SHXABS - EMPIRICAL ABSORPTION CORRECTION


Empirical correction for absorption based on the modelling of the absorption surface with spherical harmonics using the difference between I(obs) and I(calc). This implementation is similar but not identical to SHELXA. I(obs) is calculated from the model present in the '.res' file. This file may contain a HKLF line carrying a transformation matrix.

The correction is attempted, based on a '.res' and '.hkl' file. Structure factors are calculated based on the data in the '.res' file.

The 'corrected' data are written to a '.hkp' file.

Note: the usual warnings for the application of empirical correction techniques apply.



ABSORPTION CORRECTION TOOLS PLATON HOMEPAGE


12-Nov-2001 A.L.Spek