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. 2017 May 12;3(5):e1602952. doi: 10.1126/sciadv.1602952

Fig. 1. I-SAD phasing of MP crystal structures.

Fig. 1

Heavy atom substructure determination (SHELXD, left) and phase calculation and extension (SHELXE, right) for each of the four targets investigated. In all four cases, plots of CCall versus CCweak (1000 trials) from SHELXD show a bimodal distribution indicative of a correct iodide ion substructure solution, whereas the difference in contrast (SHELXE) between the two possible hands (red, original; blue, inverted) indicates successful structure solution.