Offline reprocessing is not bound by the online spot budget, and the cap is
applied at the end of SpotAnalyze, so it is exactly the spot list the indexer
and the per-image refinement see. jfjoch_viewer already sends 1000, so the two
front ends now agree on the same file.
Measured as a paired A/B over the 37-crystal rotation battery, de novo, with the
resolution and Friedel setting matched to the XDS reference, both arms from the
same binary bar this constant:
R_meas low shell 16 better 0 worse 19 unchanged
R_meas 14 better 4 worse 17 unchanged
ISa 14 better 6 worse 15 unchanged
CC1/2 6 better 3 worse 26 unchanged
Low-resolution R_meas is a clean sweep. Around half the battery is bit-identical:
those frames never reach 250 spots, so the cap never bound. Wall clock is
unchanged (10m00s vs 10m44s, uncontrolled for page cache).
Known cost, and the reason this is its own commit: one crystal in the battery
reproducibly loses symmetry, tetragonal 422 -> orthorhombic 222, doubling its
asymmetric unit. Its R_meas and ISa "improve" there, but that is what merging in
too low a symmetry always does, and the lower symmetry then admits a merohedral
indexing ambiguity. An intermediate cap of 500 demotes it too, so it buys none of
the safety. This is the known point-group-decision-moves-with-data-amount
fragility of the space-group search rather than an argument for starving the
indexer of spots - the search is the thing to fix.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
f25fea7024
