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Figure 2
Bromine site occupancy versus peak number (as calculated by SHELXD) for the different datasets. The strongest anomalous signal is set to 1 by default; subsequently found atoms are calculated with relative occupancy. The clear drop in the occupancy in set A (squares) indicates a high discrimination of the determined bromine site in contrast to the noise signal. The drop even increases when only subset 1 is used for the calculation (circles). The second anomalous signal in subset 3 (filled triangles) is still significantly higher than noise. In set B (upturned triangles), exposed to a significantly higher radiation dose, a search for one bromine site immediately resulted in one bromine site and two potential minor sites.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 18| Part 5| September 2011| Pages 782-789
https://doi.org/10.1107/S0909049511027920
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