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Figure 4
Comparison of the distribution of positional difference of correctly identified heavy atoms from the reference substructures before and after refinement with BP3. (a) Distribution of positional differences for all 93 SAD datasets. (b) Distribution of positional differences for only the X-SAD datasets. (c) Distribution of positional differences for only the S-SAD datasets. (d) Distribution of positional differences for only the Se-SAD datasets. Both the mean error (in blue) and the r.m.s.d. (in red) are used to evaluate the positional difference. Note that each dot represents a dataset and the horizontal width of the distribution reflects the frequency of each dataset falling within this range. The three lines in each group from up to down indicate the 75th percentile value, median value and 25th percentile value, respectively.

IUCrJ
Volume 11| Part 4| July 2024| Pages 587-601
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524004846