Figure 11.

Over-representation of proper torsion parameters in molecules with TFD > 0.1, defined as the ratio of number of molecules with higher TFD where the torsion parameter is applied, to the number of molecules on the whole set where the same torsion parameter is applied. Parameters which are highly over-represented in molecules with larger TFD may be responsible for errors in their geometry. Parameters with over-representation values of 2 or higher are shown here. Parameters t25, t49, and t55, got slightly worse and the remaining got slightly better in Sage 2.0.0 compared to Parsley 1.3.0.