checkCIF procedure

PLAT045

 In the ideal case, the values of both data items (Z(calc) & Z(reported)) are
 expected to be the same. If not, the reason for that difference should be 
 clear. An example is the situation where PLATON gives Z = 1 when the program
 cannot work out a proper Z.
 Note: Alerts _041, _042 & _045 can probably be ignored when the relevant   
 values differ by the same factor.