checkCIF procedure
PLAT014
PLAT014 Type_1 Check for the presence of a valid _shelx_fab_checksum record in the CIF
The supplied CIF contains a '_shelx_fab_file' record but not a valid associated '_shelx_fab_checksum' record. A valid pair of embedded '.res' and '.hkl' files allows the automatic creation of a '.fcf' file with SHELXL20xy to be used for a detailed analysis of the refinement result. A file is valid when the calculated and reported checksums are identical. Only characters with an ASCII value higher than 32 contribute to the checksum. An embedded '.res' file might be broken, either due to transfer errors or to deliberate or accidental post-refinement editing of its content.