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[Preprint]. 2024 Jul 23:2024.07.23.604358. [Version 1] doi: 10.1101/2024.07.23.604358

TABLE V. Indexing accuracy at key analysis pipeline points.

Laue-DIALS was run on simulated DHFR data with known Miller indices. These reflection tables are output by laue.index, laue.optimize_indexing, and laue.refine respectively. Note that, (1) polychromatic refinement applies an outlier rejection step, but (2) ultimately all spots are repredicted based on the geometry inferred during polychromatic refinement.

File Total Reflections Correctly Indexed Reflections
monochromatic.refl 10,958 10,505 (95.87%)
optimized.refl 21,282 21,088 (99.09%)
poly_refined.refl 17,722 17,559 (99.08%)