leonarski_fandClaude Opus 5.5
59332d4694
still_battery.py runs the public serial datasets of still_manifest.json with their deposition's cell and space group, refines the deposited model against each merge with dimple and the deposition's own free set, and reports per set: facility, beamline, detector, PDB, images, indexing rate, R_split, our R-free beside the deposition's published R-free, the wall time of the rugnux command, ms per image, the input's I/O floor (bytes over 5 GB/s) and how much of the input was already in the page cache. It shares battery.py's site config (a "still" section), verbs (run, compare, report, list, keep) and run-directory layout; run directories carry "still-" in their label. The datasets (CXIDB 243, 237, 236, 86, 90, 222, 242, 83, 152, 103, 213; dark and ground-state entries only) are listed with their verified DataCite DOIs in docs/EXTERNAL_TEST_DATA_STILLS.md, linked from EXTERNAL_TEST_DATA.md; CXIDB is credited in ACKNOWLEDGEMENT.md. The SwissFEL sets also run as int16 bitshuffle/LZ4 copies, made with still/float32_to_int16.py. The stray scripts in the repository root move under tools/battery: rugnux_stills_ab.py and its dataset template to still/, rugnux_anomalous.py beside battery.py; docs/TESTS.md follows. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
18 lines
821 B
JSON
18 lines
821 B
JSON
{
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"_comment": "Copy to site.json beside battery.py (not committed), or anywhere and point JFJOCH_BATTERY_SITE at it. Paths are absolute; a relative manifest resolves against tools/battery/.",
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"runs_root": "/path/to/battery/runs",
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"lock_file": "/path/to/battery/full_run.lock",
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"gpulock": null,
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"baseline": null,
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"baseline_private": null,
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"baseline_timing": null,
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"pdb_cache": "/path/to/battery/pdb_cache",
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"cod_cache": "/path/to/battery/cod_cache",
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"shelxl": null,
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"still": {"manifest": "still_manifest.json", "data_root": "/path/to/battery/still", "private_manifest": null},
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"arms": {
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"open": {"manifest": "open.json", "reference": "deposition", "data_root": "/path/to/battery/open"},
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"inhouse": {"manifest": "inhouse.json", "reference": "xds", "data_root": "/path/to/battery/inhouse"}
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}
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}
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