leonarski_fandClaude Opus 5
c4d74dd021
The alternating scale fit has a second degenerate direction beyond the gauge, and that one is not harmless. A frame whose scale drifts below its neighbours' loses its vote in the references it is fitted against - an observation's weight there goes as G^2 - which moves the references away from it, which drives its scale further down. Where every frame is measured against hundreds of reflections the references barely notice one frame and the loop settles; on a fine-sliced sweep of a small cell, where a frame holds two or three reflections and a rocking curve spans a dozen or more frames, the frames at the tails of the curves lose against the frames at their peaks and the loop walks the bulk of the sweep down fifteen decades. The convergence test then said the loop had settled, because its own weight (frame observations at G^2) vanishes for exactly the frames that are collapsing. So the scale is now smoothed over the rotation INSIDE the loop, at the window the merge already smoothed G over afterwards (the post-loop smoothing is the same operation and is not repeated): every frame in a window shares the window's geometric mean, no frame can lose its vote alone, and what a frame's own observations cannot determine its neighbourhood's do. The window is floored at six rocking curves - within one curve a change of scale and an error of the partiality model are the same thing, and a window holding a curve or two fits the model's error as scale. The step test is weighted by each frame's observation count alone, and a loop whose step has not fallen below nine tenths of its smallest value for five rounds stops and says so rather than walking further. Measured against the previous behaviour: a fine-sliced sweep that collapsed to P1 with CC1/2 0.000 merges in its true orthorhombic group at CC1/2 0.95; a monoclinic small-cell set goes from an unusable 2.13 A merge to 0.81 A at R_meas 11.5%; another from R_meas 33% / ISa 2.2 to 6.1% / 14.2; two powder-ring sets and a short-sweep tetragonal one improve. The space group is unchanged on every protein control measured, and the short-sweep and de-novo orthorhombic gains of the convergent loop are kept. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_013nW6FNRP1bBJJ8pfHiByAT
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.