leonarski_fandClaude Opus 4.8
f0799f780b
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From a fresh decomposition of the low-resolution-shell R-meas gap vs XDS on the reference lysozyme rotation crystal (7.6% vs 2.9%), two rot3d scale/merge changes: - New --min-captured-fraction (default 0.5 for rotation, off otherwise): drop a combined full whose rocking curve was captured below this fraction. These edge-of-sweep, partiality-extrapolated fulls (sweep start/end) are biased and inflate the low-res R-meas. Dropping them lowers low-shell R-meas 7.6->5.5% and *improves* external accuracy (CC vs the F-model and vs an independent dataset, and the ANODE anomalous S-peak 0.93->0.94x XDS) - unlike --min-partiality, which lowers R-meas cosmetically while degrading accuracy. Threaded through ScalingSettings and both the GPU and CPU combine. - R-meas reporting fix: the R_meas re-walk counted observations the merge had rejected as outliers (XDS excludes its misfits before its R-factor). The accumulate pass now flags each rejected full and the R_meas pass skips it, in both the GPU and CPU paths. Merged intensities / ISa / CC1/2 unchanged (verified byte-identical external accuracy); low-shell R-meas 7.6->6.5%. No-op when --reject-outliers 0. Combined default rotation low-shell R-meas 7.6->5.1%, ISa 17.2->17.5, external accuracy equal-or-better than baseline and XDS. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>