XCAD4 - Diffractometer Data Processing

XCAD4 - Diffractometer Data Processing


This program reads the CAD4 diffratometer file name.DAT, and carries out data reduction with automatic decomposition correction, Lorentz-polarisation corrections, and optionally a (crude) bad background and/or a Renninger correction (if the correct equivalents are found). It writes out a SHELX format name.HKL file (optionally with direction cosines), as well as the list file XCAD4.LST, and the CIF summary file DREDUC.CIF.

In addition two other files name.UNC and name.ST are written for input to the standards analysis program STDANAL.
The file name.ST contains the standards, with each record : h,k,l,F2, sig(F2), nrefl, isec (elapsed time in seconds), in FORTRAN format (3I4,2F10.2,2I10)
The file name.UNC contains the reflection data corrected for all effects EXCEPT decomposition, with each record : h,k,l, F2,sig(F2),nset (usually 1), isec (elapsed time in seconds), nref, and optionally direction cosines in FORTRAN format (3I4,2F10.2,I1,I10,I5,6F8.5)

If profiles are present in the data file, these will be ignored. To process data files with profiles use PROFIT