WTANAL

WTANAL


Analyses the name.FCF file written by SHELXL and prints various distributions of Fo and wDel2 as functions of the indices, even/odd combinations of the indices, ranges of sin(theta)/lambda , and ranges of Fo. The weights are first placed on an absolute scale so that wDel2= no. of observations minus no. of parameters. Also, reflections for which |F| > g*sig(Fo) are listed, so the program will ask for the desired value of g.

The program also requires the file SHELXL.LST for the parameters of the weighting scheme used in refinement. A graphical display is optionally available.