--detect-ice-rings previously dropped ice-ring reflections outright before
scaling, which also removed them from the merge and gutted low/mid-resolution
completeness on crystals that merge them fine (e.g. lysoC 80% -> the ice bands
show as jagged shell completeness). Instead flag them (new Reflection.on_ice_ring,
set in JFJochProcess, carried through the 3D combine) and exclude the flag only
where a model is fit: the per-image scale (ScaleOnTheFly::Accept + the per-image
CC), and - for the de-novo P1 pass - the space-group search and error model
(MergeOnTheFly::ExcludeIceRings, on for for_search). The final in-symmetry merge
and its statistics keep them, so completeness is preserved.
/data/rotation_test battery vs the previous drop-from-merge behaviour: space
group correct on all 18; completeness recovered broadly with CC1/2 and ISa held
(cytC_2 82->99.7%, cytC_3 73->99.7%, InsI3 76->99.5%, lysoC 80->99.7%, MyoB
80->99.7%, InsH3 78->99%). Excluding ice from the P1 search merge is what keeps
the space group correct: without it InsI3 flipped I23->P1 and EP_cs_01-17 P2->P1.
Known limitation: on heavy-ice crystals (EP_cs_01-17) the strong ice is garbage
and keeping it in the final merge collapses CC1/2 in the ice shells (91.7->6.9%).
Distinguishing strong vs weak/absent rings per crystal needs data-driven,
per-ring ice detection (azimuthal radial profile) - the planned next step.
Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
leonarski_fandClaude Fable 5
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