Each still predicted through |dist_ewald| <= 2x its own profile radius (the RMS excitation error of its
indexed spots): one width at every resolution, differing eightfold between frames. Against the run's
measured rocking width that was 5-8 sigma at low resolution on one SACLA run (59 % of the 40-8 A predictions
empty) and below one sigma at high resolution on a crowded LCLS run (half of the curve never integrated).
Now the stills image pass first integrates a sample (a tenth of the run, at least 2000 frames) the old way,
scales it against its own merge and measures the run's rocking curve on it - centre (MeasureRadialScale) and
width (MeasureRunWidth), as the merge measures them - then predicts every frame through 2 sigma(d) of that
curve, centred on the reciprocal lattice scaled by the radial scale (BraggPredictionSettings::window_*, CPU
and CUDA). The post-refinement uses the same curve instead of measuring it again: re-measured through
windows that follow it, the constant term falls to ~0 and the result swung by up to +-0.015 per run.
Still battery, 12 non-float sets, against the st-partial baseline (0-cycle REFMAC R-free vs deposited):
9 better, 3 worse, sum of changes -0.013; the off-centre run -0.012, worst +0.008 on one JUNGFRAU run (its
sample measures a different width form than the full run). Integrated reflections 0.8-1.7x, battery wall
+13 % on a loaded box. Rotation untouched (window fields zero unless set); p.hkl byte-identical on three
rotation sets.
Tests: BraggPrediction_WindowFollowsResolution, BraggPrediction_CPU_GPU_consistency_window.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit 1b28d671d780bc88525ceac5120017963d937bbc)
leonarski_f
0829b9a72d