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Figure 3
Substructure quality for dataset A. (a) CFOM for the best substructure solution obtained by SHELXD as a function of total oscillation range. (b) The number of correct sulfur sites (red) and the corresponding r.m.s.d. (dashed grey) with respect to the reference structure A as determined by SITCOM. Here, the most accurate substructure is identified as the one for which 4 × 360° of accumulated data are used.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 24| Part 1| January 2017| Pages 19-28
https://doi.org/10.1107/S1600577516014764
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