Prediction applied a mosaicity/profile-radius moving average (RotationParameters) over the
last N *processed* frames. Under the parallel per-image loop that window is thread-arrival
order, so the smoothed value - and hence which reflections are predicted/integrated - was
non-deterministic run-to-run, swinging CC1/2 (and even the space group) on marginal crystals.
`-N 1` was deterministic; `-N 32` was not.
Fix (as designed with FL): prediction now uses each frame's OWN mosaicity/profile-radius
(image-local, deterministic membership - a reflection on the cutoff contributes ~nothing).
The smoothing that actually matters is moved into RotationScaleMerge and done in FRAME order
(deterministic): per-frame mosaicity is smoothed with the same window as smooth-G, then every
partial's partiality is recomputed from it BEFORE the 3D combine. This is the mosaicity analogue
of smooth-G: combining a reflection's per-frame partials only tiles the rocking curve correctly
(captured fractions summing toward 1) if neighbouring frames share a consistent mosaicity.
Battery (18 crystals, /data/rotation_test, 2 runs each): 15/18 now bit-identical run-to-run
(the good crystals unchanged - lyso P41212 ISa 7.8 CC1/2 99.7%). The 3 residual crystals
(EcwtAL500, EcwtCQ066S, pding4_003 - all large/triclinic cells) still jitter ~0.002%, traced
to a SEPARATE, benign cause: the GPU prediction buffer overflow (BraggPredictionRotGPU
max_reflections=10000 with a racy atomicAdd/atomicSub) on dense frames - cell/space group stay
stable; to be addressed in the GPU prediction/integration rework (naively raising the cap also
changes prediction quality, so it is not a one-line bump). Minor label refinements from the
recomputed partiality: cytC_2 P321 -> P3121 (now consistent with cytC_3), Ins_I_2/3 report the
honest I23/I213 screw-axis ambiguity.
Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
leonarski_fandClaude Opus 4.8
29c8ba6112