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Jungfraujoch/tools
leonarski_fandClaude Opus 5.5 c095b19f3a Battery: in-house small-molecule XDS references at full-saturation OVERLOAD
The XDS references of aspirin (20, 25 keV), citric acid, HEPES and YAG were made with
OVERLOAD=65534, half of the EIGER2's saturation value (133202). CORRECT ignored 13-313
reflections per set whose peak pixel lay between the two - the strongest, most
extinguished reflections - so the references described a data set without them.
Re-ran only the CORRECT step on the unchanged INTEGRATE.HKL with every input parameter
reconstructed from the old CORRECT.LP and OVERLOAD=133201 (saturation - 1, as the other
in-house sets already use); a rerun at 65534 reproduced the old CORRECT.LP. The old outputs
are kept in xds_overload_half/ beside each data set. `refs --write` picked up the new values.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01K5K8jvPPbmCrbqnWkddTuB
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