checkCIF procedure

PLAT999

 IUCr CheckCIF validation requires SHELXL 'LIST 4' or equivalent Fo**2, Fc**2,
 Sigma(Fo**2) reflection files. A 'LIST 6' style file has the dispersion
 contribution(s) removed from the observed and calculated structure factors,
 making this file unsuitable for external Analysis-of-Variance type of
 analysis and the validation of the final refinement result. Also, the
 absolute structure values can not be calculated and tested. Create the final
 CIF & FCF with solely the 'ACTA' instruction without an additional 'LIST 6'.