checkCIF procedure

PLAT010

 Validation is not complete without the availability of the diffraction data.   
 Deposited reflection data are preferably the set of reflections that were  
 used in the final refinement and embedded in the CIF between records with  
 semicolons in position 1 and preceded by an _iucr_refine_reflections_details   
 record.  SHELXL20xy will do that automatically. Alternatively, an external 
 file with final observed, calculated and sigma reflection data will be the 
 minimum for validation and archival.