ional measurements or structure refinements. However, 
the purpose of your study may justify the reported deviations and the more 
serious of these should normally be commented upon in the discussion or 
experimental section of a paper or in the "special_details" fields of the CIF. 
checkCIF was carefully designed to identify outliers and unusual parameters, 
but every test has its limitations and alerts that are not important in a particular 
case may appear. Conversely, the absence of alerts does not guar