ABSP - PSI-SCAN BASED CORRECTION

ABSORPTION CORRECTION TOOLS

PLATON HOMEPAGE

Releted Instruction: ABSP (NOCHECK)(LIST)

See also Absorption Correction Menu

PSI-SCAN BASED CORRECTION FOR ABSORPTION

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 (which is included in the PLATON source).

• Each psi-scan (10 degree steps) should consist of 36 measurements. (or 37 with endpoint = begin + 360 degrees).

• Include the instructions 'MENU OFF' and 'SET DISPLAY OFF' before 'ABSP' for a non-interactive graphics run.

• Theta dependence of the absorption may be modelled with an additional spherical correction by supplying a MuR value on the ABSP instruction line or from the menu.

The calculations may be invoked through:

platon shelxl.ins

The corrected data are written to: shelxl.hkp

ABSORPTION CORRECTION TOOLS

PLATON HOMEPAGE