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Figure 1
The distribution of data-reduction and structure-refinement statistics for all 91 data sets. (a) The range of key statistics for data collection. Overall I/σ, overall Rmeas and resolution limit are relatively concentrated. In contrast, the distributions of overall completeness, overall multiplicity and overall CC1/2 are more dispersed, with a significant difference between the maximum and minimum values. (b) The range of some statistics for structural refinement. Although Rfree and Rwork have some outliers, their overall distribution is relatively concentrated. The difference between Rfree and Rwork is maintained within 5%. The distributions of overall B factor and clashscore are relatively wide, while other parameters are more concentrated. For the r.m.s.d.s of bond lengths and angles, there are no outliers in the distribution of these two data sets. All data for Ramachandran allowed, Ramachandran outliers and Ramachandran favored are concentrated. Notably, for the Ramachandran outliers most of the data are zero, which adversely affects the graphical representation.

IUCrJ
Volume 12| Part 2| March 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524012247