checkCIF procedure

PLAT738

 A large ratio of the reported and calculated H-Bond D-H..A angle s.u.'s
 is found.  
 NOTE: s.u.'s on the unit-cell dimensions are taken into account in the 
 calculation of expected s.u.'s. This may result in large differences   
 between expected and reported s.u.'s when this contribution is not included
 in the reported s.u.'s, in particular for inaccurate unit-cells.