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. 2019 Jan 1;6(Pt 1):72–84. doi: 10.1107/S2052252518014951

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© Chufeng Li et al. 2019

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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Statistics of ClR data set. (a) Distribution of number of peaks per pattern. Most patterns contained ten to 30 peaks, and were not indexed using MOSFLM (gray bars, ∼100 000 patterns). Histograms from SPIND-refine and MOSFLM-refine fit within the yellow distribution and are omitted for clarity. (b) Comparison of indexing rates using MOSFLM and SPIND with the lattice-refinement option in indexamajig enabled and disabled. The lattice-refinement feature requires that more than ten found peaks match their predicted peak positions with a small excitation error (that increases smoothly with resolution) (White, Barty et al., 2016 ▸). Patterns are discarded (not indexed) if this criterion is not met. This contributes to the abrupt cut in indexing rate from using SPIND-norefine to SPIND-refine since this data set consists of a significant portion of patterns with few peaks (fewer than five).