leonarski_fandClaude Opus 5
5e7b53dd7b
One runner for the open (vs PDB deposition) and in-house (vs XDS) arms, replacing the scattered scripts outside the repository. Each run writes a new, read-only directory named <date>_<rugnux git>_<label> holding a copy of the binary with its sha256 and build flags, manifest.json (inputs, references, options, host, GPU sharing) and results.json in one schema for all arms, plus per-set work directories and a Markdown and a self-contained HTML report (per-arm and per-population pass rates, resolution gain, ISa/R_meas distributions, timing, failures, delta vs a baseline run). - Dataset lists and references are data files: open.json (151 public sets, deposited group/cell/resolution, pinned inputs) and inhouse.json (standard test crystals and no-crystal controls, XDS references). The private arm's manifest stays outside the repository; a private run gets its own run directory and report. - Scoring is setting-invariant: lattice by Niggli-reduced primitive cell (beta vs 180-beta, C2 vs I2), symmetry via sgequiv on the open arm and by point group against XDS, then merge usability. Re-scoring the rc169 and rc170 battery outputs reproduces their verdicts. - Input discovery (`discover`) ranks sweeps by frame count, never by file size or sort order; a run never searches, it runs what the manifest names. - `compare A B` flags per-set changes beyond noise; `--rerun-changed` reruns them with A's saved binary to separate real changes from run-to-run noise. - `--tier smoke` selects a 22-set subset spanning the populations; a full-arm run takes a lock; `--gpulock` queues on the shared GPU and marks the timing as not a reference. Co-Authored-By: Claude Opus 5 (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.