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Figure 3
Analysis of 1vk8 outliers. (a) and (b) are scatter plots of the deviation between observed and predicted Bragg spot positions for (a) the initially refined lattice model and (b) the re-refined lattice model after outlier rejection. The blue circles in (a) and (b) are the expected limits that should contain 95% of the spots, based on the Rayleigh distributions modeled in (c) and (d), respectively. (c) and (d) are cumulative distribution functions (blue curves) calculated on the subset of observations (red dots) containing the 40% of spots with the smallest values of Δr. Pink dots represent outliers with Δr values more than σ away from the expected curve (green bar). The outliers have been removed in the second refinement round shown in (b) and (d). Orange dots are the remaining observations.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 43| Part 3| April 2010| Pages 611-616
doi:10.1107/S0021889810010782
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