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Figure 2
Detail of the 1° rotation image used for analyzing outliers for Protein Data Bank (PDB) entry 1vk8 . (a) Red circles are the candidate Bragg spots accepted for the initial lattice refinement, after two rounds of heuristic spot filters. Spot intensity is one criterion for accepting these candidate observations, but other characteristics have disqualifed many of the brightest Bragg spots in this case. Specifically, the heuristic rules select signals for which the centroids are extremely well measured, namely round sharp spot profiles that are baseline-separated from neighboring signals. Thus, the Bragg signals exhibiting satellite spots and streaks oriented along the vertical c*-axis direction are excluded from refinement. (b) Yellow boxes show the predicted Bragg positions on the initially refined lattice model. Observations have been recolored to indicate their status with respect to this predicted lattice. Red dots represent the 40% of spots closest to their predicted positions, used for determining the Rayleigh distribution σ in Fig. 3[link](c). Pink spots are those determined to be outliers by the statistical test [equation (6)[link]], very much in agreement with the visual impression. Orange dots are the remaining observations.

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