leonarski_fandClaude Opus 5
5d643498c6
The fit was refused outright if it wanted to move the detector distance or a cell edge by one per cent or more. The bound exists to stop a runaway, but it was applied to the whole move rather than to a step, so a geometry that was genuinely several per cent out could never be reached - on one dataset the refused fit was 310.000 -> 305.692 mm with a cell within 0.06 per cent of the deposited one, and it was thrown away for being too large a correction. A move of one per cent or more is now re-fitted as a walk of one per cent steps, each seeded where the last arrived and each required to lower the held-out split-half residual, and a walk of more than one step is ratified by re-indexing at where it arrived. That is what the bound was really for: a second lattice does not index better at the new geometry, and a real distance error does - on the dataset this was found with, pass-1 frames go 37/60 to 60/60, R_meas 0.74 to 0.081, ISa 0.98 to 15.0, and the walk stops at a minimum bracketed on both sides without ever being told what the answer should be. A walk that uses every step it is allowed has not settled and is refused; that test is what stops the runaway this replaces the veto with. The first solve is untouched. An earlier version that also widened its box was measurably not inert - two microns on one control moved a 694-reflection merge by three points of R_meas - so a move inside the bound still commits exactly as before. Refusals now say so in the report rather than passing silently. Four of ninety-nine open datasets carry a uniform cell-scale error; ninety-eight of a hundred and three are byte-identical or differ only by the new line, and no run on forty-eight datasets with calibrated headers moves at all. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_011GxZqDiFP3KqriBhNdcR56
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.