Files
Jungfraujoch/tools
leonarski_fandClaude Opus 4.8 ff91ca5e3a jfjoch_process: default --reject-outliers 6 for rot3d (XDS-like)
Per-observation merge outlier rejection at 6 sigma is neutral-or-better across every test
crystal (CC1/2 up or flat: lysoC 99.7->99.9, MyoB 98.9->99.6, EP0210 97.6->98.8,
cytC 99.7->100.0, InsI2 99.2->99.7; R-meas slightly lower everywhere; ISa unchanged), and
it is the lever for radiation-damaged / ice data (EP0117 reaches CC1/2 ~95% with it). Make
it the rot3d default, like scale-fulls and smooth-g; --reject-outliers 0 disables it. Off
for the non-rot3d partiality models, which were not benchmarked.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
2026-06-30 22:04:36 +02:00
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