leonarski_fandClaude Opus 5.5
23e1976e55
The correction-surface gate averaged the per-shell change of the held-out half-set CC over 20
equal-occupancy shells and adopted a surface on its sign. On the shells where a multiplicative error
shows, CC1/2 sits at 0.99-0.9996 and a large reduction of the error moves it in the fourth decimal;
the shells beyond the data's reach (up to 12 of 20 at CC ~ 0) each add +-0.01, so the sign was set
by noise (measured spread of the mean +-0.001-0.003 against effects of -0.0003..-0.0008). It refused
the 24x24 detector surface on four EIGER2 16M sweeps. The change is now averaged on atanh(CC) - the
candidate from the hq-bisect investigation.
The order of the three overlapping surfaces also decides what is adopted. With the gate fixed,
goniometer-frame first took a 5 keV insulin sweep from ISa 31.8 to 20.1 (the time surface then
refused; R_meas 7.8 -> 8.9%, CC to the model 0.8307 -> 0.8282) and cost a 0.1 deg-sliced thaumatin
sweep R_meas 18.2 -> 19.6%; time x detector first refused the detector surface on the 16 keV
thaumatin sweep (ISa 33 instead of 40). Modulation, time, goniometer frame avoids both.
Bare runs, --report-resolution at XDS's range, against rc173 (0252880e0): ISa / lowest-shell R_meas
thaumatin 16 keV 32.9/.030 -> 39.8/.028, lysozyme 90 deg sweeps 10.1/.059 -> 14.1/.048 and
10.1/.060 -> 13.8/.049, cytochrome c 19.2 -> 20.4 and 17.3 -> 19.3, thaumatin 3.8 keV 13.3 -> 14.8;
CC to a deposited model (standard-protein models on 14 in-house sets, the deposition on 13 open sets)
within +-0.0045, R_model_shell_scaled within +-0.002 except where d_min moved. 46 sets, one regression:
a half-image lysozyme test set, CC1/2 0.878 -> 0.862.
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01D1G8gJVAy6gp1K5Dz3NE5C
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.