leonarski_fandClaude Opus 5
f98442077e
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PostRefine step B refuses a fitted beam centre more than 15 px from the geometry the run started from. Two things were wrong with that and they compounded. The 15 px was BOTH the Ceres search box and the acceptance threshold, so a fit that wanted to move further was pinned at the box face, landed at exactly hypot >= 15.0, and was then refused for being there. The gate never saw the fit it was judging. Measured on one crystal at three detector distances, the fit came back at 15.128, 15.133 and 15.130 px - the box corner, three times. And it was measured from the header, which is the value most worth correcting exactly when it is most wrong. The run already knows better: the default beam-centre check fits the centre from the isotropy of the scattered background on every rotation run, reported it, and then discarded it. The bound is now measured from whichever of the nominal centre and that measurement is nearer - accept a move that is small relative to something independent, rather than small relative to the header alone - and the search box is widened to match, so the gate decides rather than the box. The measurement is used only where it was precise enough to be adopted as a centre in its own right; a run without one is bounded exactly as before. Step B also now says WHICH of its four tests refused a fit, since all four leave the same geometry behind. Measured over 113 rotation datasets against the same corpus, one binary per arm, with a control arm that reproduced the stored battery on 112 of 112 reports: the bound fired and refused a real correction 1 6ukf the bound fired and caught a runaway 0 the bound never fired 112 On 6ukf the header centre is 22.1 px from what the background fit measures. The old fit, pinned at the box, improved the held-out positional residual 9-fold and was refused; the new fit lands 0.46 px from the measurement and improves it 418-fold. ISa 4.42 -> 6.71, R_meas 18.5 -> 12.8 %, CC1/2 0.987 -> 0.995, d_min 1.119 -> 0.973 A; at matched resolution, 1.68 A goes I/sigma 8.9 -> 15.1 and R_meas 28.8 -> 13.4 %. The refined cell moves from 0.4 % off the deposited one to under 0.1 %. It survives perturbation, and inverts it: over +-0.5 mm of detector distance the corrected run is flat (ISa 6.62 / 6.71 / 6.94) while the uncorrected one is bistable (4.02 / 4.42 / 6.90). The change removes an instability rather than exploiting one. No space group anywhere in the corpus moves, and no other dataset's report changes at all - 112 of 113 are identical. The distance half of the gate is untouched: it is separately argued, and it is what legitimately refuses the one dataset whose distance wants to move 1.05 %. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N
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.