Solution

Green indicates that all of the chemical moieties in the 2D diagram match perfectly on to the moieties in the 3D structure. Amber indicates that only some of the chemical moieties in the 2D diagram match moieties in the 3D structure, likely to be due to disordered or unmodelled molecules in the 3D structure. A purple colour indicates moieties present in the 3D structure have not been represented in the 2D diagram, suggesting the 2D diagram may not represent all moieties modelled from the X-ray data. Red indicates that none of the moieties in the 2D diagram match the moieties in the 3D structure. Black indicates that a match is impossible because of the absence of a 2D diagram.


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