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
PLATON/ABSP for psiscan based absorption correction requires two files
- shelxl.ins : An instruction file
- 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
See for
EXAMPLE DATA s588a.ins, s588a.hkl & s588a.lis
ABSORPTION CORRECTION TOOLS
PLATON HOMEPAGE
20-Apr-2001 A.L.Spek