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Figure 3
Outlier crystal rejection. Variations among crystals from multi-crystal data sets. (a) Cluster analyses of unit-cell variations. (b) Cluster analyses of overall diffraction dissimilarity. (c) Relative anomalous correlation coefficient. Unit-cell variations are standard Euclidean distances normalized by population variances, i.e. the distance between j and k among N crystals is Δj,k = [\{\textstyle\sum_{i}[(u_{i,j}-u_{i,k})^2}]/Vi]}1/2, where ui includes all variable unit-cell parameters i, each having a variance of Vi = σi2 = [\textstyle \sum_{k}(u_{k}- {\overline u}_{k})^2]/N, k = 1→N. The overall diffraction dissimilarity between crystals j and k is defined as Di,j = 1.0 − Ci,j, where Ci,j is the correlation coefficient between all Bragg intensities in common between the two diffraction patterns.

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
Volume 69| Part 7| June 2013| Pages 1314-1332
doi:10.1107/S0907444913001479
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