f217f180a tightened SCALING_TOLERANCE to 1e-5 for the per-frame scaling loops, but ApplyCellSurface
used the same constant for its own stop. The surfaces then ran to their 30-round cap ("NOT settled"),
and that - not the per-frame loops - is what lost ISa on the tol-1e-5 full battery
(20261019-2106 vs 20261019-1726): on hepes, myob_x06da, 9rcs and 7bgt the per-frame loops settle on
the same trajectory either way, while the modulation/absorption fits and their half-set gates changed.
The surfaces' own fixed point is the worse one: run to 1e-5 with 300 rounds allowed, the detector-frame
surfaces walk along the resolution direction the gauge projects out (7bgt modulation: 15 -> 283 rounds,
1.13x -> 8.47x ramp removed), their held-out half-set gain drops (hepes +0.026 -> -0.031, 6o2h
-0.28 -> -0.78), and ISa falls (hepes 37.0 -> 18.3, myob_x06da 22.8 -> 19.6, 9rcs 7.4 -> 5.3,
7bgt 17.0 -> 15.3, 6o2h 31.0 -> 18.1). The surfaces' prior and gates were calibrated at 1e-3, so they
get their own SURFACE_TOLERANCE = 1e-3 again; the per-frame loops stay at 1e-5.
Tried and rejected (23 validation sets, runs 20261020-0040/0104/0129 cvfold-*):
- leave-one-out reference in the surface fit: 7bgt R_meas 0.14 -> 0.31, R-free 0.207 -> 0.277,
9rcs CC1/2 0.994 -> 0.956. Regressing the observation on a mean that excludes it puts the rest of
the group's noise in the regressor alone and attenuates the slope; the mean that includes it is
matched by the same noise on both sides.
- leave-one-out reference in the per-frame fit (CPU + GPU): same attenuation; 5reo R_meas
0.23 -> 0.49, 3meb 0.26 -> 0.37, myob_x06da_powder_2 d_min 1.54 -> 1.94 (aspirin and yag gained).
- cross-validating the fulls smoothness on the held-out per-frame fit while scaling on the usual one:
thau_bl1a_4p6keV ISa 34.3 -> 36.4, but kdp 23.9 -> 21.3, aspirin 35.5 -> 33.6, L-cystine R1
0.124 -> 0.137, 6o2h ISa 31.0 -> 25.7; no fewer stalled loops.
Validation, 23 sets (small molecules, the four losers, stall sets, controls; run 20261020-0152
cvfold-final-sets): hepes, myob_x06da, 9rcs, 7bgt back to their tol-1e-3 values; the other 19 equal
to the base within noise (aspirin 20 keV ISa 35.8 -> 35.5, L-cystine 25 keV ISa 8.5 -> 8.2 with SHELXL
R1 0.1152 -> 0.1154). No SG, d_min or verdict change. ci tier (20261020-0152 cvfold-final-ci): 29/29
pass, every row within noise of both earlier full runs. [RotationScale] and AndersonMixing* pass.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
leonarski_fandClaude Opus 5.5
456fd5d5cf