The own statistics table's grid bottoms 0.1% below the finest kept reflection,
and the observation-level counts (N_obs, R_meas, the Bijvoet split behind SigAno
and CCanom) re-walk the fulls, which still hold every ingested group. Groups in
that band just below the auto cut were erased from the merge, so they were not
in N_uniq, but their observations still counted in N_obs and R_meas of the
finest shell. The own table now floors those counts at the cut by group d, the
rule the erase applies - the same floor the reference-range table already used
(now passed as a double, so the comparison is exactly the erase's).
Report-only: on an auto-cut cubic in-house set the written MTZ, HKL, P1 MTZ, unmerged
MTZ and image table are byte-identical; TOTAL_OBSERVATIONS 378754 -> 377933,
MULTIPLICITY 40.31 -> 40.22 (now equal to the reference-range table's), finest
shell N_obs 60873 -> 60052, R_meas 1136.9% -> 1129.2%, CCanom -0.6% -> -0.3%;
overall R_MEAS, CC1/2, SigAno unchanged at printed precision; the mmCIF's
pdbx_number_measured_all / pdbx_redundancy / last shell row follow. A
detector-limited lysozyme run (no auto cut) is byte-identical throughout.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
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