ABSP - PSI-SCAN BASED CORRECTION

ABSORPTION CORRECTION TOOLS

PLATON/ABSP for psiscan based absorption correction requires two files

1. shelxl.ins : An instruction file

2. shelxl.hkl : A reflection file (SHELX HKLF 4 + Direction Cosines)

The content of the instruction file (shelxl.ins) should look like

TITL S588A
CELL 0.71073 11.1364 12.0577 15.3782 90 90 90
ABSP

Notes:

• The shelxl file (shelxl.hkl) should contain two sections, separated by a blank line.

• The psi-scan data should go in the second section.

• Such a file is produced for CAD4 data using the (local) datareduction program HELENA.

• Each psiscan (10 degree steps) should consist of 36 measurements.

The calculations may be invoked through:

platon shelxl.ins

The corrected data are written to: shelxl.hkp

See for EXAMPLE DATA s588a.ins, s588a.hkl & s588a.lis