Analytical Absorption Correction (Meulenaar, Tompa & Alcock) (14/5/97) ====================================================================== (see. N.W. Alcock (1990). Crystallographic Computing, p 271) The M,T & A code has been implemented in PLATON and adapted to fit into the direction cosine regime used with shelx-76 (compatible with SHELXL93). Two files are needed: 1 - instruction file: .ins 2 - reflection file: .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 2 - CELL lamda a b c alpha beta gamma 3 - FACE h k l d .. 4 - ABST mu Notes: ====== - d is the distance to a centre inside the crystal - the dimensions of mu and d should be the same (i.e. cm or mm) - Gaussian integration in place of M,T&A can be done by substituting the last instruction by 'ABSG mu nx ny nz', where nx, ny & nz are the 'gauss grid numbers in the x, y & z direction resp. In addition three tests (test1, test2 & stand) are provided illus- trating the alternative use of 'absolute-psi'-values instead of direction cosines on 'shelxl.hkl' (Adapted from the Alcock distribution).