Given a standard shelx.hkl file, an extensive listing of the averaging and completeness of your dataset is produced on the basis of the proposed Space Group symmetry.
Given two files: asym.hhl (= shelx.hkl) and asym.ins the program may be run with the instruction: ASYM
platon asym.ins TITL s521b CELL 0.7107 23.302 8.259 16.871 89.99 115.70 89.99 SPGR C2/c ASYM
ABSORPTION CORRECTIONS
Analytical Absorption Correction (Meulenaar, Tompa and Alcock), (see. N.W. Alcock (1990). Crystallographic Computing, p 271)
The M,T and A code has been implemented in PLATON and adapted to fit into the direction cosine regime used with SHELXL93.
Two files are needed:
1 - instruction file: name.ins 2 - reflection file: name.hkl (hkl F^2 sig(F^2) +direction cosines)
The standard published testdata set is included in this directory and may be
run with:
platon abstest.ins
instruction file format: 1 - TITL text 2 - CELL lamda a b c alpha beta gamma 3 - FACE h k l d .. 4 - ABST mu
CONTOUR PLOTS - UTILITY - 11-03-96
This is so new that there is no documentation, but on the command "CONT" a Fourier contoured (apparently Fobs) map is produced.