leonarski_fandClaude Opus 4.8
afae1dec2f
De-novo two-pass rotation indexing collapsed on a crystal with a long, finely spaced axis (a ~150 A c-axis at 16 keV): the unconstrained FFT either collapsed the long axis to a short sub-multiple or let a denser supercell over-fit the accumulated cloud - a small global-orientation error throws the many high-order reflections off along the fine axis, so the true cell scores worst on the raw cloud, and propagating that inaccurate global orientation to each frame fails. Add a long-axis rescue that only runs when the standard pass indexes few validation frames (<50%), so well-indexing crystals are untouched and keep the fast path: re-run the first pass at a COARSE resolution (low-order reflections only, where the fine axis stays robust) to recover the true metric, take the recovered cell with the longest axis directly, then RE-INDEX at full resolution with that cell as a reference (the -C path) - the reference-cell filter drops the collapsed/supercell candidates and refines an accurate global lattice. The scheme feed/index/validate loop is factored into a pick_best() lambda shared by the standard and constrained passes (the standard pass is behaviour-preserved). A P41212 58/58/150 test crystal goes 15% -> 99.89% indexed. Full 25-crystal rotation battery: every other crystal's space group and cell BIT-IDENTICAL, and the rescue fires only on the failing crystal. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
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.