checkCIF procedure

PLAT928

 Please check whether the S value that is reported in the CIF corresponds   
 with the S value calculated from the parameters supplied in the CIF.   
 See at the end of Section #10 in the '.ckf' report file for details. 
 This test is based on the observed reflection data in the FCF and  
 reflection data that are calculated with the parameters (i.e. coordinates, 
 displacement and weight parameters) taken from the CIF.