The analysis of the angle deviation can return three conclusions: "DefinitelyTheSameAs-Reference", "SameAsReference", and "DifferentFromReference". The conclusion is based on the value of cos(θ) compared to two chosen values: 0.96 and 0.76, which corresponds to approximately 16.26°and 40.54°respectively. If all computed values of cos(θ) are larger than 0.96 "DefinitelyTheSameAsReference" is returned, else if all values are larger then 0.76 then "SameAsReference" is returned, else "DifferentFromReference" is returned. The check values are chosen as a rather tight value and a rather loose value, respectively. If the cluster pass the tight check it is very likely that it is the same configuration as the cluster computed at the reference level of theory. If the cluster only pass the loose check it also needs to pass the coordinate difference analysis (see below) for the cluster to be labeled as "SameAsReference" otherwise it is labeled as "DifferentFromReference".