HKL-GENERATE


MISC-TOOLS PLATON HOMEPAGE

Tool for ab-initio generation of hkl-Fcalc**2 files based on the coordinate data supplied.

Keyboard Instruction:

ASYM (VIEW) (AVF) GENERATE

Data are generated within the 'Copper Sphere' (i.e. sin(theta)/lambda = 1/1.5418).

To set the resolution to 0.6 Ang-1: SET PAR 287 0.6

The AVF keyword determines whether or not for non-centrosymmetric space groups the Friedel related reflections will be averaged (i.e. for monoclinic p21 half a sphere of data or one quarter). Reflections (SHELXL HKLF 4 format) are written to a file with extension .hkp.


21-Nov-2001 A.L.Spek