battery results: still battery on rc178 a0ce6c, cold on a quiet machine, replaces the earlier rc178 table
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Same 12 sets plus the float32 Alvra originals; every R_free as before (6 wins, 5 draws, 1 loss), with the reader, geometry-trial, tilt and module-placement speed-ups: the twelve runs take 1,237 s instead of 1,624 s, EuXFEL 83 35 s (408 Hz) instead of 69 s. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
"exit_code": 0,
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"r_free_depdata": 0.262,
|
||||
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|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "European XFEL",
|
||||
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|
||||
"detector": "AGIPD 1M (200 um)",
|
||||
"pdb": "6GTH",
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"command_run": "/data/battery/runs/20261023-0703_e54f55_still-rc178-m4/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/euxfel_83/ref/agipd_mar18_v10.geom --wavelength 1.3332 -C 41.84,41.84,233.28,90,90,120 -S P3221 --model /data/battery/pdb_cache/6gth.pdb /ssd/data/still_test/euxfel_83/raw/XFEL-r0243-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0244-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0245-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0246-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0247-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0248-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0249-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0250-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0251-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0252-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0253-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0254-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0270-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0271-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0272-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0273-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0274-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0275-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0276-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0278-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0279-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0280-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0281-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0286-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0287-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0288-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0289-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0290-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0291-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0292-c00.cxi",
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "European XFEL",
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"set": "euxfel152",
|
||||
"dataset": 152,
|
||||
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|
||||
"command_run": "/data/battery/runs/20261023-0703_e54f55_still-rc178-m4/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/euxfel_152/ref/kdo_embedded.geom --wavelength 1.3332 -C 118,118,118,90,90,90 -S I23 --model /data/battery/pdb_cache/6u57.pdb /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0099-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0100-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0101-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0102-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0103-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0104-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0105-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0106-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0107-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0108-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0109-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0110-c00.cxi 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/ssd/data/still_test/euxfel_152/raw/XFEL2042-r0200-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0201-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0202-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0203-c00.cxi /ssLine truncated
|
||||
"exit_code": 0,
|
||||
"wall_s": 104.4,
|
||||
"io_bytes": 56448582934,
|
||||
"io_floor_s": 11.3,
|
||||
"cache": "cold",
|
||||
"input_files": 221,
|
||||
"images": 33528,
|
||||
"ms_per_image": 3.11,
|
||||
"indexed_pct": 66.4,
|
||||
"d_min": 2.424,
|
||||
"r_split": 0.1283,
|
||||
"cc_half_split": 0.9848,
|
||||
"r_free_model_check": 0.2464,
|
||||
"r_work": 0.2121,
|
||||
"r_free": 0.2521,
|
||||
"r_free_depdata": 0.2442,
|
||||
"d_min_used": 2.8,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
"detector": "JUNGFRAU 16M (75 um)",
|
||||
"pdb": "6S0L",
|
||||
"r_free_deposited": 0.2203,
|
||||
"images_deposited": 199136,
|
||||
"format": "SwissFEL HDF5, float32 keV",
|
||||
"set": "alvra103",
|
||||
"dataset": 103,
|
||||
"command": "rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/raw/run*.JF06T32V01.h5",
|
||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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|
||||
"command_run": "/data/battery/runs/20261023-0703_e54f55_still-rc178-m4/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model /data/battery/pdb_cache/8bkh.pdb /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000214.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000215.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000216.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000228.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000229.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000230.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000231.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000232.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000233.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000235.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000236.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000237.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000239.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000240.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000241.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000242.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000243.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000244.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000245.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000246.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000247.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000248.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000249.JF06T08V01_int16.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 59.3,
|
||||
"io_bytes": 48605027310,
|
||||
"io_floor_s": 9.7,
|
||||
"cache": "cold",
|
||||
"input_files": 23,
|
||||
"images": 28428,
|
||||
"ms_per_image": 2.09,
|
||||
"indexed_pct": 98.6,
|
||||
"d_min": 1.262,
|
||||
"r_split": 0.1745,
|
||||
"cc_half_split": 0.9512,
|
||||
"r_free_model_check": 0.1884,
|
||||
"r_work": 0.1875,
|
||||
"r_free": 0.212,
|
||||
"r_free_depdata": 0.227,
|
||||
"d_min_used": 1.35,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
}
|
||||
]
|
||||
+9
-67
@@ -1,15 +1,15 @@
|
||||
{
|
||||
"kind": "still",
|
||||
"label": "still-rc178-m4",
|
||||
"label": "still-rc178-quiet",
|
||||
"private": false,
|
||||
"subset": null,
|
||||
"binary": {
|
||||
"version": "1.0.0-rc.178",
|
||||
"git": "e54f55",
|
||||
"copied_from": "/data/tmp/still_work/final2/bin/rugnux_m4",
|
||||
"sha256": "8cbbfcb3323d0d82f670699de84219eed606f17234bfeb939399931f97ceea6b"
|
||||
"git": "a0ce6c",
|
||||
"copied_from": "/data/tmp/still_work/final2/bin/rugnux_a",
|
||||
"sha256": "e1f9f92b90b99e639a257f98fe5a59acbcc1638d4b5bd1d5d04130cecb646a93"
|
||||
},
|
||||
"runner_git": "e54f5547d",
|
||||
"runner_git": "a0ce6c1a5",
|
||||
"host": "mpc2898.psi.ch",
|
||||
"hardware": {
|
||||
"cpu_model": "AMD Ryzen 9 5950X 16-Core Processor",
|
||||
@@ -27,8 +27,8 @@
|
||||
}
|
||||
]
|
||||
},
|
||||
"start": "2026-10-23T07:03:08",
|
||||
"end": "2026-10-23T07:45:37",
|
||||
"start": "2026-10-23T13:03:40",
|
||||
"end": "2026-10-23T13:38:26",
|
||||
"complete": true,
|
||||
"options": {
|
||||
"threads": null,
|
||||
@@ -337,7 +337,7 @@
|
||||
"tiers": {}
|
||||
},
|
||||
{
|
||||
"id": "alvra103_all",
|
||||
"id": "alvra103_int16",
|
||||
"cxidb": 103,
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
@@ -349,65 +349,7 @@
|
||||
"r_free_deposited": 0.2203,
|
||||
"images_deposited": 199136,
|
||||
"inputs": [
|
||||
"swissfel_103/conv/run0808_1.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run0808_2.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run0808_3.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run10.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run11.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run12.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run13.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run14.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run15.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run16.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run17.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run18.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run19.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run20.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run21.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run22.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run23.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run24.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run25.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run26.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run27.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run28.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run30.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run32.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run33.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run34.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run35.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run36.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run37.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run38.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run39.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run40.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run42.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run43.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run44.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run45.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run46.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run47.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run48.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run49.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run50.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run51.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run52.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run53.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run54.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run55.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run56.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run57.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run58.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run59.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run60.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run61.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run62.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run63.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run64.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run65.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run66.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run67.JF06T32V01_int16.h5",
|
||||
"swissfel_103/conv/run9.JF06T32V01_int16.h5"
|
||||
"swissfel_103/conv/run*_int16.h5"
|
||||
],
|
||||
"args": [
|
||||
"--crystfel-geometry",
|
||||
+18
-18
@@ -1,26 +1,26 @@
|
||||
# Rugnux still battery - 20261023-0703_e54f55_still-rc178-m4
|
||||
# Rugnux still battery - 20261023-1303_a0ce6c_still-rc178-quiet
|
||||
|
||||
- binary: rugnux 1.0.0-rc.178 (git e54f55), ?
|
||||
- binary: rugnux 1.0.0-rc.178 (git a0ce6c), ?
|
||||
- host: mpc2898.psi.ch; AMD Ryzen 9 5950X 16-Core Processor, 32 threads, 125 GiB; GPUs: NVIDIA GeForce RTX 5080
|
||||
- start 2026-10-23T07:03:08, end 2026-10-23T07:45:37; subset: all sets
|
||||
- start 2026-10-23T13:03:40, end 2026-10-23T13:38:26; subset: all sets
|
||||
- R_free rugnux: the deposited model against our merge, not refined (REFMAC's first cycle, bulk solvent and anisotropic scale, the deposition's free set, the common reflections at the lower of the two resolutions; model_check.py); R_free deposition: the same protocol on the deposited data, the target; R_free published: the entry's own value, for information; difference: ours minus the deposition's; quality: win where ours is lower by more than 0.01, draw within 0.01, loss otherwise. Time: wall clock of the rugnux command (to model validation); I/O floor: input bytes / 5.0 GB/s; page cache: share of the input already in memory when the run started.
|
||||
|
||||
| facility | beamline | detector | dataset | PDB | images | images (deposition) | indexed % | d_min | R_split | R_free rugnux | R_free deposition | R_free published | difference | quality | time s | ms/image | I/O floor s | page cache |
|
||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla243 | 31JT | 52,151 | 52,151 | 99.3 | 1.406 | 5.5% | 0.184 | 0.208 | 0.194 | -0.024 | win | 301.2 | 5.78 | 43.5 | cold |
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla237 | 9S06 | 10,789 | - | 99.9 | 2.349 | 12.9% | 0.221 | 0.216 | 0.219 | +0.005 | draw | 103.2 | 9.57 | 9.6 | cold |
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla236 | 9V3D | 16,083 | 16,083 | 93.4 | 1.594 | 6.7% | 0.199 | 0.237 | 0.225 | -0.038 | win | 132.4 | 8.23 | 13.4 | cold |
|
||||
| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal86 | 6IG7 | 46,900 | - | 61.3 | 1.429 | 13.9% | 0.206 | 0.212 | 0.202 | -0.006 | draw | 126.4 | 2.69 | 22.2 | cold |
|
||||
| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal90 | 6IRK | 79,805 | - | 67.2 | 1.529 | 22.9% | 0.198 | 0.238 | 0.203 | -0.040 | win | 171.6 | 2.15 | 33.9 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls222 | 8TDQ | 8,534 | - | 56.5 | 1.655 | 27.4% | 0.205 | 0.206 | 0.201 | -0.001 | draw | 36.2 | 4.25 | 14.5 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_s | 9O4S | 82,388 | - | 33.0 | 1.799 | 13.3% | 0.239 | 0.253 | 0.210 | -0.014 | win | 192.1 | 2.33 | 121.9 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_t | 9O4T | 82,388 | - | 30.0 | 2.252 | 33.1% | 0.294 | 0.262 | 0.235 | +0.032 | loss | 178.5 | 2.17 | 121.9 | cold |
|
||||
| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel83 | 6GTH | 14,445 | 14,445 | 93.9 | 1.568 | 24.1% | 0.217 | 0.220 | 0.210 | -0.003 | draw | 74.0 | 5.13 | 4.9 | cold |
|
||||
| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel152 | 6U57 | 33,528 | 37,006 | 66.4 | 2.424 | 12.8% | 0.252 | 0.244 | 0.249 | +0.008 | draw | 104.4 | 3.11 | 11.3 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 16M (75 um) | alvra103 | 6S0L | 11,910 | 199,136 | 100.0 | 2.496 | 10.9% | 0.257 | 0.264 | 0.220 | -0.007 | draw | 502.2 | 42.17 | 161.4 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 16M (75 um) | alvra103_all | 6S0L | 53,734 | 199,136 | 100.0 | 2.448 | 6.0% | 0.253 | 0.264 | 0.220 | -0.011 | win | 95.7 | 1.78 | 36.8 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 4M (75 um) | alvra213 | 8BKH | 28,428 | - | 98.6 | 1.275 | 17.2% | 0.211 | 0.227 | 0.227 | -0.016 | win | 272.4 | 9.58 | 96.3 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 4M (75 um) | alvra213_int16 | 8BKH | 28,428 | - | 98.6 | 1.262 | 17.4% | 0.212 | 0.227 | 0.227 | -0.015 | win | 59.3 | 2.09 | 9.7 | cold |
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla243 | 31JT | 52,151 | 52,151 | 99.3 | 1.406 | 5.5% | 0.184 | 0.208 | 0.194 | -0.024 | win | 239.6 | 4.59 | 43.5 | cold |
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla237 | 9S06 | 10,789 | - | 99.9 | 2.349 | 12.9% | 0.221 | 0.216 | 0.219 | +0.005 | draw | 77.2 | 7.15 | 9.6 | cold |
|
||||
| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla236 | 9V3D | 16,083 | 16,083 | 93.4 | 1.594 | 6.7% | 0.199 | 0.237 | 0.225 | -0.038 | win | 91.0 | 5.66 | 13.4 | cold |
|
||||
| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal86 | 6IG7 | 46,900 | - | 61.3 | 1.429 | 13.9% | 0.206 | 0.212 | 0.202 | -0.006 | draw | 113.1 | 2.41 | 22.2 | cold |
|
||||
| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal90 | 6IRK | 79,805 | - | 67.2 | 1.529 | 22.9% | 0.198 | 0.238 | 0.203 | -0.040 | win | 153.3 | 1.92 | 33.9 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls222 | 8TDQ | 8,534 | - | 56.5 | 1.655 | 27.4% | 0.205 | 0.206 | 0.201 | -0.001 | draw | 31.9 | 3.74 | 14.5 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_s | 9O4S | 82,388 | - | 33.0 | 1.798 | 13.3% | 0.239 | 0.253 | 0.210 | -0.014 | win | 169.1 | 2.05 | 121.9 | cold |
|
||||
| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_t | 9O4T | 82,388 | - | 30.0 | 2.252 | 33.1% | 0.294 | 0.262 | 0.235 | +0.032 | loss | 157.1 | 1.91 | 121.9 | cold |
|
||||
| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel83 | 6GTH | 14,445 | 14,445 | 93.9 | 1.568 | 24.1% | 0.217 | 0.220 | 0.210 | -0.003 | draw | 35.4 | 2.45 | 4.9 | cold |
|
||||
| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel152 | 6U57 | 33,528 | 37,006 | 66.4 | 2.424 | 12.8% | 0.252 | 0.244 | 0.249 | +0.008 | draw | 42.0 | 1.25 | 11.3 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 16M (75 um) | alvra103 | 6S0L | 11,910 | 199,136 | 100.0 | 2.495 | 10.8% | 0.257 | 0.264 | 0.220 | -0.007 | draw | 433.1 | 36.36 | 161.4 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 16M (75 um) | alvra103_int16 | 6S0L | 53,734 | 199,136 | 100.0 | 2.448 | 6.0% | 0.253 | 0.264 | 0.220 | -0.011 | win | 86.3 | 1.61 | 36.8 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 4M (75 um) | alvra213 | 8BKH | 28,428 | - | 98.6 | 1.275 | 17.2% | 0.211 | 0.227 | 0.227 | -0.016 | win | 235.5 | 8.28 | 96.3 | cold |
|
||||
| SwissFEL | Alvra | JUNGFRAU 4M (75 um) | alvra213_int16 | 8BKH | 28,428 | - | 98.6 | 1.262 | 17.4% | 0.212 | 0.227 | 0.227 | -0.015 | win | 42.2 | 1.48 | 9.7 | cold |
|
||||
|
||||
## Commands
|
||||
|
||||
@@ -35,6 +35,6 @@
|
||||
- `euxfel83`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/euxfel_83/ref/agipd_mar18_v10.geom --wavelength 1.3332 -C 41.84,41.84,233.28,90,90,120 -S P3221 --model 6gth.pdb <data>/euxfel_83/raw/*.cxi`
|
||||
- `euxfel152`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/euxfel_152/ref/kdo_embedded.geom --wavelength 1.3332 -C 118,118,118,90,90,90 -S I23 --model 6u57.pdb <data>/euxfel_152/raw/*.cxi`
|
||||
- `alvra103`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/raw/run*.JF06T32V01.h5`
|
||||
- `alvra103_all`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/conv/run0808_1.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run0808_2.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run0808_3.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run10.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run11.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run12.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run13.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run14.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run15.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run16.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run17.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run18.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run19.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run20.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run21.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run22.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run23.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run24.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run25.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run26.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run27.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run28.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run30.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run32.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run33.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run34.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run35.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run36.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run37.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run38.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run39.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run40.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run42.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run43.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run44.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run45.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run46.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run47.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run48.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run49.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run50.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run51.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run52.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run53.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run54.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run55.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run56.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run57.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run58.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run59.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run60.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run61.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run62.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run63.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run64.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run65.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run66.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run67.JF06T32V01_int16.h5 <data>/swissfel_103/conv/run9.JF06T32V01_int16.h5`
|
||||
- `alvra103_int16`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/conv/run*_int16.h5`
|
||||
- `alvra213`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model 8bkh.pdb <data>/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_*.JF06T08V01.h5`
|
||||
- `alvra213_int16`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model 8bkh.pdb <data>/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_*_int16.h5`
|
||||
@@ -0,0 +1,464 @@
|
||||
[
|
||||
{
|
||||
"facility": "SACLA",
|
||||
"beamline": "BL2",
|
||||
"detector": "MPCCD (8 panels, 50 um)",
|
||||
"pdb": "31JT",
|
||||
"r_free_deposited": 0.1943,
|
||||
"images_deposited": 52151,
|
||||
"format": "Cheetah-SACLA HDF5",
|
||||
"set": "sacla243",
|
||||
"dataset": 243,
|
||||
"command": "rugnux -o p --no-export-unmerged -C 39.36,79.16,145.40,90,90,90 -S P 2 21 21 --model 31jt.pdb <data>/sacla_243/raw_all/run*.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged -C 39.36,79.16,145.40,90,90,90 -S P 2 21 21 --model /data/battery/pdb_cache/31jt.cif /ssd/data/still_test/sacla_243/raw_all/run270051-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270051-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270051-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270052-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270052-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270052-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270053-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270053-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270053-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270054-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270054-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270054-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270055-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270055-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270055-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270056-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270056-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270056-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270057-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270057-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270057-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270058-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270058-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270058-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270059-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270059-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270059-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270060-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270060-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270060-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270061-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270061-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270061-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270062-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270062-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270062-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270063-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270063-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270063-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270064-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270064-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270064-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270065-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270065-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270065-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270066-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270066-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270066-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270067-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270067-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270067-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270068-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270068-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270068-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270069-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270069-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270069-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270070-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270070-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270070-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270071-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270071-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270071-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270072-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270072-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270072-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270073-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270073-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270073-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270074-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270074-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270074-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270075-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270075-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270075-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270076-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270076-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270076-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270077-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270077-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270077-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270078-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270078-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270078-2.h5 /ssd/data/still_test/sacla_243/raw_all/run270079-0.h5 /ssd/data/still_test/sacla_243/raw_all/run270079-1.h5 /ssd/data/still_test/sacla_243/raw_all/run270079-2.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 239.6,
|
||||
"io_bytes": 217332469316,
|
||||
"io_floor_s": 43.5,
|
||||
"cache": "cold",
|
||||
"input_files": 87,
|
||||
"images": 52151,
|
||||
"ms_per_image": 4.59,
|
||||
"indexed_pct": 99.3,
|
||||
"d_min": 1.406,
|
||||
"r_split": 0.0551,
|
||||
"cc_half_split": 0.9956,
|
||||
"r_free_model_check": 0.182,
|
||||
"r_work": 0.1589,
|
||||
"r_free": 0.1838,
|
||||
"r_free_depdata": 0.2079,
|
||||
"d_min_used": 1.63,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SACLA",
|
||||
"beamline": "BL2",
|
||||
"detector": "MPCCD (8 panels, 50 um)",
|
||||
"pdb": "9S06",
|
||||
"r_free_deposited": 0.219,
|
||||
"images_deposited": null,
|
||||
"format": "Cheetah-SACLA HDF5",
|
||||
"set": "sacla237",
|
||||
"dataset": 237,
|
||||
"command": "rugnux -o p --no-export-unmerged -C 64.80,71.09,207.26,90,90,90 -S P212121 --model 9s06.pdb <data>/sacla_237/raw/run13063[7-9]-*.h5 <data>/sacla_237/raw/run13064[0-2]-*.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged -C 64.80,71.09,207.26,90,90,90 -S P212121 --model /data/battery/pdb_cache/9s06.pdb /ssd/data/still_test/sacla_237/raw/run130637-0.h5 /ssd/data/still_test/sacla_237/raw/run130637-1.h5 /ssd/data/still_test/sacla_237/raw/run130637-2.h5 /ssd/data/still_test/sacla_237/raw/run130638-0.h5 /ssd/data/still_test/sacla_237/raw/run130638-1.h5 /ssd/data/still_test/sacla_237/raw/run130638-2.h5 /ssd/data/still_test/sacla_237/raw/run130639-0.h5 /ssd/data/still_test/sacla_237/raw/run130639-1.h5 /ssd/data/still_test/sacla_237/raw/run130639-2.h5 /ssd/data/still_test/sacla_237/raw/run130640-0.h5 /ssd/data/still_test/sacla_237/raw/run130640-1.h5 /ssd/data/still_test/sacla_237/raw/run130640-2.h5 /ssd/data/still_test/sacla_237/raw/run130641-0.h5 /ssd/data/still_test/sacla_237/raw/run130641-1.h5 /ssd/data/still_test/sacla_237/raw/run130641-2.h5 /ssd/data/still_test/sacla_237/raw/run130642-0.h5 /ssd/data/still_test/sacla_237/raw/run130642-1.h5 /ssd/data/still_test/sacla_237/raw/run130642-2.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 77.2,
|
||||
"io_bytes": 47812259056,
|
||||
"io_floor_s": 9.6,
|
||||
"cache": "cold",
|
||||
"input_files": 18,
|
||||
"images": 10789,
|
||||
"ms_per_image": 7.15,
|
||||
"indexed_pct": 99.9,
|
||||
"d_min": 2.349,
|
||||
"r_split": 0.1287,
|
||||
"cc_half_split": 0.9862,
|
||||
"r_free_model_check": 0.2068,
|
||||
"r_work": 0.2001,
|
||||
"r_free": 0.2213,
|
||||
"r_free_depdata": 0.2162,
|
||||
"d_min_used": 2.337,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SACLA",
|
||||
"beamline": "BL2",
|
||||
"detector": "MPCCD (8 panels, 50 um)",
|
||||
"pdb": "9V3D",
|
||||
"r_free_deposited": 0.2252,
|
||||
"images_deposited": 16083,
|
||||
"format": "Cheetah-SACLA HDF5",
|
||||
"set": "sacla236",
|
||||
"dataset": 236,
|
||||
"command": "rugnux -o p --no-export-unmerged -C 79.45,79.45,38.15,90,90,90 -S P43212 --model 9v3d.pdb <data>/sacla_236/raw/run157*.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged -C 79.45,79.45,38.15,90,90,90 -S P43212 --model /data/battery/pdb_cache/9v3d.pdb /ssd/data/still_test/sacla_236/raw/run157084-0.h5 /ssd/data/still_test/sacla_236/raw/run157084-1.h5 /ssd/data/still_test/sacla_236/raw/run157084-2.h5 /ssd/data/still_test/sacla_236/raw/run157085-0.h5 /ssd/data/still_test/sacla_236/raw/run157085-1.h5 /ssd/data/still_test/sacla_236/raw/run157085-2.h5 /ssd/data/still_test/sacla_236/raw/run157086-0.h5 /ssd/data/still_test/sacla_236/raw/run157086-1.h5 /ssd/data/still_test/sacla_236/raw/run157086-2.h5 /ssd/data/still_test/sacla_236/raw/run157087-0.h5 /ssd/data/still_test/sacla_236/raw/run157087-1.h5 /ssd/data/still_test/sacla_236/raw/run157087-2.h5 /ssd/data/still_test/sacla_236/raw/run157088-0.h5 /ssd/data/still_test/sacla_236/raw/run157088-1.h5 /ssd/data/still_test/sacla_236/raw/run157088-2.h5 /ssd/data/still_test/sacla_236/raw/run157089-0.h5 /ssd/data/still_test/sacla_236/raw/run157089-1.h5 /ssd/data/still_test/sacla_236/raw/run157089-2.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 91.0,
|
||||
"io_bytes": 67046821478,
|
||||
"io_floor_s": 13.4,
|
||||
"cache": "cold",
|
||||
"input_files": 18,
|
||||
"images": 16083,
|
||||
"ms_per_image": 5.66,
|
||||
"indexed_pct": 93.4,
|
||||
"d_min": 1.594,
|
||||
"r_split": 0.0667,
|
||||
"cc_half_split": 0.9883,
|
||||
"r_free_model_check": 0.2165,
|
||||
"r_work": 0.1774,
|
||||
"r_free": 0.199,
|
||||
"r_free_depdata": 0.2368,
|
||||
"d_min_used": 1.68,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "PAL-XFEL",
|
||||
"beamline": "NCI",
|
||||
"detector": "Rayonix MX225-HS (4x4 binned, 156 um)",
|
||||
"pdb": "6IG7",
|
||||
"r_free_deposited": 0.2024,
|
||||
"images_deposited": null,
|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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||||
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||||
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||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
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|
||||
"exit_code": 0,
|
||||
"wall_s": 157.1,
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"r_free": 0.2942,
|
||||
"r_free_depdata": 0.262,
|
||||
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|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "European XFEL",
|
||||
"beamline": "SPB/SFX",
|
||||
"detector": "AGIPD 1M (200 um)",
|
||||
"pdb": "6GTH",
|
||||
"r_free_deposited": 0.2096,
|
||||
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|
||||
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|
||||
"set": "euxfel83",
|
||||
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|
||||
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|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/euxfel_83/ref/agipd_mar18_v10.geom --wavelength 1.3332 -C 41.84,41.84,233.28,90,90,120 -S P3221 --model /data/battery/pdb_cache/6gth.pdb /ssd/data/still_test/euxfel_83/raw/XFEL-r0243-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0244-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0245-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0246-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0247-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0248-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0249-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0250-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0251-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0252-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0253-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0254-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0270-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0271-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0272-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0273-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0274-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0275-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0276-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0278-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0279-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0280-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0281-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0286-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0287-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0288-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0289-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0290-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0291-c00.cxi /ssd/data/still_test/euxfel_83/raw/XFEL-r0292-c00.cxi",
|
||||
"exit_code": 0,
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "European XFEL",
|
||||
"beamline": "SPB/SFX",
|
||||
"detector": "AGIPD 1M (200 um)",
|
||||
"pdb": "6U57",
|
||||
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|
||||
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|
||||
"format": "Cheetah CXI",
|
||||
"set": "euxfel152",
|
||||
"dataset": 152,
|
||||
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|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/euxfel_152/ref/kdo_embedded.geom --wavelength 1.3332 -C 118,118,118,90,90,90 -S I23 --model /data/battery/pdb_cache/6u57.pdb /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0099-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0100-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0101-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0102-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0103-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0104-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0105-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0106-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0107-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0108-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0109-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0110-c00.cxi 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/ssd/data/still_test/euxfel_152/raw/XFEL2042-r0200-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0201-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0202-c00.cxi /ssd/data/still_test/euxfel_152/raw/XFEL2042-r0203-c00.cxi Line truncated
|
||||
"exit_code": 0,
|
||||
"wall_s": 42.0,
|
||||
"io_bytes": 56448582934,
|
||||
"io_floor_s": 11.3,
|
||||
"cache": "cold",
|
||||
"input_files": 221,
|
||||
"images": 33528,
|
||||
"ms_per_image": 1.25,
|
||||
"indexed_pct": 66.4,
|
||||
"d_min": 2.424,
|
||||
"r_split": 0.1283,
|
||||
"cc_half_split": 0.9848,
|
||||
"r_free_model_check": 0.2464,
|
||||
"r_work": 0.2121,
|
||||
"r_free": 0.2521,
|
||||
"r_free_depdata": 0.2442,
|
||||
"d_min_used": 2.8,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
"detector": "JUNGFRAU 16M (75 um)",
|
||||
"pdb": "6S0L",
|
||||
"r_free_deposited": 0.2203,
|
||||
"images_deposited": 199136,
|
||||
"format": "SwissFEL HDF5, float32 keV",
|
||||
"set": "alvra103",
|
||||
"dataset": 103,
|
||||
"command": "rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/raw/run*.JF06T32V01.h5",
|
||||
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|
||||
"exit_code": 0,
|
||||
"wall_s": 433.1,
|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
"ms_per_image": 36.36,
|
||||
"indexed_pct": 100.0,
|
||||
"d_min": 2.495,
|
||||
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|
||||
"cc_half_split": 0.9663,
|
||||
"r_free_model_check": 0.2517,
|
||||
"r_work": 0.2334,
|
||||
"r_free": 0.2571,
|
||||
"r_free_depdata": 0.2643,
|
||||
"d_min_used": 2.65,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
"detector": "JUNGFRAU 16M (75 um)",
|
||||
"pdb": "6S0L",
|
||||
"r_free_deposited": 0.2203,
|
||||
"images_deposited": 199136,
|
||||
"format": "int16 photons, bitshuffle/LZ4 copy",
|
||||
"set": "alvra103_int16",
|
||||
"dataset": 103,
|
||||
"command": "rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb <data>/swissfel_103/conv/run*_int16.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/swissfel_103/ref/jf-16M_mask.geom --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model /data/battery/pdb_cache/6s0l.pdb /ssd/data/still_test/swissfel_103/conv/run0808_1.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run0808_2.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run0808_3.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run10.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run11.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run12.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run13.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run14.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run15.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run16.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run17.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run18.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run19.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run20.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run21.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run22.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run23.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run24.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run25.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run26.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run27.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run28.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run30.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run32.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run33.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run34.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run35.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run36.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run37.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run38.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run39.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run40.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run42.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run43.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run44.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run45.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run46.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run47.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run48.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run49.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run50.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run51.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run52.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run53.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run54.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run55.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run56.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run57.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run58.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run59.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run60.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run61.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run62.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run63.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run64.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run65.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run66.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run67.JF06T32V01_int16.h5 /ssd/data/still_test/swissfel_103/conv/run9.JF06T32V01_int16.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 86.3,
|
||||
"io_bytes": 183987813247,
|
||||
"io_floor_s": 36.8,
|
||||
"cache": "cold",
|
||||
"input_files": 59,
|
||||
"images": 53734,
|
||||
"ms_per_image": 1.61,
|
||||
"indexed_pct": 100.0,
|
||||
"d_min": 2.448,
|
||||
"r_split": 0.0602,
|
||||
"cc_half_split": 0.9846,
|
||||
"r_free_model_check": 0.2555,
|
||||
"r_work": 0.2327,
|
||||
"r_free": 0.2534,
|
||||
"r_free_depdata": 0.2641,
|
||||
"d_min_used": 2.65,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
"detector": "JUNGFRAU 4M (75 um)",
|
||||
"pdb": "8BKH",
|
||||
"r_free_deposited": 0.2271,
|
||||
"images_deposited": null,
|
||||
"format": "SwissFEL HDF5, float32 keV",
|
||||
"set": "alvra213",
|
||||
"dataset": 213,
|
||||
"command": "rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model 8bkh.pdb <data>/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_*.JF06T08V01.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model /data/battery/pdb_cache/8bkh.pdb /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000214.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000215.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000216.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000228.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000229.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000230.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000231.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000232.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000233.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000235.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000236.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000237.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000238.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000239.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000240.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000241.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000242.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000243.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000244.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000245.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000246.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000247.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000248.JF06T08V01.h5 /ssd/data/still_test/swissfel_213/raw/march_dark_MbCO_II-March-06/data/dark/run_000249.JF06T08V01.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 235.5,
|
||||
"io_bytes": 481611314688,
|
||||
"io_floor_s": 96.3,
|
||||
"cache": "cold",
|
||||
"input_files": 24,
|
||||
"images": 28428,
|
||||
"ms_per_image": 8.28,
|
||||
"indexed_pct": 98.6,
|
||||
"d_min": 1.275,
|
||||
"r_split": 0.1715,
|
||||
"cc_half_split": 0.9524,
|
||||
"r_free_model_check": 0.1861,
|
||||
"r_work": 0.1876,
|
||||
"r_free": 0.2112,
|
||||
"r_free_depdata": 0.227,
|
||||
"d_min_used": 1.35,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
},
|
||||
{
|
||||
"facility": "SwissFEL",
|
||||
"beamline": "Alvra",
|
||||
"detector": "JUNGFRAU 4M (75 um)",
|
||||
"pdb": "8BKH",
|
||||
"r_free_deposited": 0.2271,
|
||||
"images_deposited": null,
|
||||
"format": "int16 photons, bitshuffle/LZ4 copy",
|
||||
"set": "alvra213_int16",
|
||||
"dataset": 213,
|
||||
"command": "rugnux -o p --no-export-unmerged --crystfel-geometry <data>/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model 8bkh.pdb <data>/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_*_int16.h5",
|
||||
"command_run": "/data/battery/runs/20261023-1303_a0ce6c_still-rc178-quiet/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/swissfel_213/ref/mbco_march_mask.geom --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model /data/battery/pdb_cache/8bkh.pdb /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000214.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000215.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000216.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000228.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000229.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000230.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000231.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000232.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000233.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000235.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000236.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000237.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000239.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000240.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000241.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000242.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000243.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000244.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000245.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000246.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000247.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000248.JF06T08V01_int16.h5 /ssd/data/still_test/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_000249.JF06T08V01_int16.h5",
|
||||
"exit_code": 0,
|
||||
"wall_s": 42.2,
|
||||
"io_bytes": 48605027310,
|
||||
"io_floor_s": 9.7,
|
||||
"cache": "cold",
|
||||
"input_files": 23,
|
||||
"images": 28428,
|
||||
"ms_per_image": 1.48,
|
||||
"indexed_pct": 98.6,
|
||||
"d_min": 1.262,
|
||||
"r_split": 0.1745,
|
||||
"cc_half_split": 0.9512,
|
||||
"r_free_model_check": 0.1884,
|
||||
"r_work": 0.1875,
|
||||
"r_free": 0.212,
|
||||
"r_free_depdata": 0.227,
|
||||
"d_min_used": 1.35,
|
||||
"score_note": "none",
|
||||
"verdict": "done",
|
||||
"reason": ""
|
||||
}
|
||||
]
|
||||
+19
-19
@@ -1,10 +1,9 @@
|
||||
# Rugnux on XFEL serial data - 2026-10-23, rc178 final
|
||||
|
||||
One rugnux binary, built from rc178 e54f5547d, CUDA, `-march=x86-64-v3`. Workstation: AMD Ryzen 9 5950X
|
||||
One rugnux binary, built from rc178 a0ce6c1a5, CUDA, `-march=x86-64-v3`. Workstation: AMD Ryzen 9 5950X
|
||||
(16 cores / 32 threads, 125 GiB), NVIDIA RTX 5080, NVMe SSD. Run with `tools/battery/still_battery.py run
|
||||
--cold`: every set read cold from disk (its input evicted from the page cache first), one set at a time.
|
||||
A software build ran on the same machine during part of this run, so the times are up to ~10% longer
|
||||
than on a quiet machine; the R_free values are unaffected.
|
||||
--cold`: every set read cold from disk (its input evicted from the page cache first), one set at a time,
|
||||
nothing else running. Scoring with REFMAC 5.8.0431 (CCP4 9.0.014).
|
||||
|
||||
- **Input**: each set is given the deposition's cell and space group (`-C`/`-S`) and nothing about the
|
||||
geometry or the detector's response: no set is given a detector distance or a gain - rugnux finds
|
||||
@@ -22,24 +21,25 @@ than on a quiet machine; the R_free values are unaffected.
|
||||
|
||||
| dataset (CXIDB) | facility, detector | images used | images behind the deposition | d_min ours / deposited (A) | time | rate | R_free ours | R_free deposited SFs | difference | |
|
||||
|---|---|---|---|---|---|---|---|---|---|---|
|
||||
| SACLA 243 | SACLA BL2, MPCCD | 52,151 | 52,151 | 1.41 / 1.63 | 301 s | 173 Hz | 0.184 | 0.208 | -0.024 | win |
|
||||
| SACLA 237 (dark) | SACLA BL2, MPCCD | 10,789 | ~600,000 hits | 2.35 / 2.05 | 103 s | 105 Hz | 0.221 | 0.216 | +0.005 | draw |
|
||||
| SACLA 236 | SACLA BL2, MPCCD | 16,083 | 16,083 | 1.59 / 1.68 | 132 s | 121 Hz | 0.199 | 0.237 | -0.038 | win |
|
||||
| PAL 86 | PAL-XFEL NCI, Rayonix MX225-HS | 46,900 | whole entry (one truncated file left out) | 1.43 / 1.80 | 126 s | 371 Hz | 0.206 | 0.213 | -0.006 | draw |
|
||||
| PAL 90 | PAL-XFEL NCI, Rayonix MX225-HS | 79,805 | 79,805 hits (29,157 indexed) | 1.53 / 1.75 | 172 s | 465 Hz | 0.198 | 0.238 | -0.040 | win |
|
||||
| LCLS 222 | LCLS MFX, Rayonix MX340-HS | 8,534 | runs 165-168 (we use 165) | 1.66 / 1.65 | 36 s | 236 Hz | 0.205 | 0.206 | -0.001 | draw |
|
||||
| LCLS 242 form S | LCLS MFX, Rayonix MX340-HS | 82,388 | runs 256-310+ (we use 256-267) | 1.80 / 1.95 | 192 s | 429 Hz | 0.239 | 0.253 | -0.014 | win |
|
||||
| LCLS 242 form T | LCLS MFX, Rayonix MX340-HS | 82,388 | same | 2.25 / 1.95 | 179 s | 462 Hz | 0.294 | 0.262 | +0.032 | loss |
|
||||
| EuXFEL 83 | EuXFEL SPB/SFX, AGIPD 1M | 14,445 | 14,445 | 1.57 / 1.69 | 74 s | 195 Hz | 0.217 | 0.220 | -0.003 | draw |
|
||||
| EuXFEL 152 | EuXFEL SPB/SFX, AGIPD 1M | 33,528 | 37,006 | 2.42 / 2.80 | 104 s | 321 Hz | 0.252 | 0.244 | +0.008 | draw |
|
||||
| Alvra 213 MbCO dark (int16) | SwissFEL Alvra, JUNGFRAU 4M | 28,428 | whole dark series | 1.26 / 1.35 | 59 s | 479 Hz | 0.212 | 0.227 | -0.015 | win |
|
||||
| Alvra 103 A2A (int16) | SwissFEL Alvra, JUNGFRAU 16M | 53,734 | 199,136 indexed | 2.45 / 2.65 | 96 s | 561 Hz | 0.253 | 0.264 | -0.011 | win |
|
||||
| SACLA 243 | SACLA BL2, MPCCD | 52,151 | 52,151 | 1.41 / 1.63 | 240 s | 218 Hz | 0.184 | 0.208 | -0.024 | win |
|
||||
| SACLA 237 (dark) | SACLA BL2, MPCCD | 10,789 | ~600,000 hits | 2.35 / 2.05 | 77 s | 140 Hz | 0.221 | 0.216 | +0.005 | draw |
|
||||
| SACLA 236 | SACLA BL2, MPCCD | 16,083 | 16,083 | 1.59 / 1.68 | 91 s | 177 Hz | 0.199 | 0.237 | -0.038 | win |
|
||||
| PAL 86 | PAL-XFEL NCI, Rayonix MX225-HS | 46,900 | whole entry (one truncated file left out) | 1.43 / 1.80 | 113 s | 415 Hz | 0.206 | 0.213 | -0.006 | draw |
|
||||
| PAL 90 | PAL-XFEL NCI, Rayonix MX225-HS | 79,805 | 79,805 hits (29,157 indexed) | 1.53 / 1.75 | 153 s | 521 Hz | 0.198 | 0.238 | -0.040 | win |
|
||||
| LCLS 222 | LCLS MFX, Rayonix MX340-HS | 8,534 | runs 165-168 (we use 165) | 1.66 / 1.65 | 32 s | 268 Hz | 0.205 | 0.206 | -0.001 | draw |
|
||||
| LCLS 242 form S | LCLS MFX, Rayonix MX340-HS | 82,388 | runs 256-310+ (we use 256-267) | 1.80 / 1.95 | 169 s | 487 Hz | 0.239 | 0.253 | -0.014 | win |
|
||||
| LCLS 242 form T | LCLS MFX, Rayonix MX340-HS | 82,388 | same | 2.25 / 1.95 | 157 s | 524 Hz | 0.294 | 0.262 | +0.032 | loss |
|
||||
| EuXFEL 83 | EuXFEL SPB/SFX, AGIPD 1M | 14,445 | 14,445 | 1.57 / 1.69 | 35 s | 408 Hz | 0.217 | 0.220 | -0.003 | draw |
|
||||
| EuXFEL 152 | EuXFEL SPB/SFX, AGIPD 1M | 33,528 | 37,006 | 2.42 / 2.80 | 42 s | 798 Hz | 0.252 | 0.244 | +0.008 | draw |
|
||||
| Alvra 213 MbCO dark (int16) | SwissFEL Alvra, JUNGFRAU 4M | 28,428 | whole dark series | 1.26 / 1.35 | 42 s | 674 Hz | 0.212 | 0.227 | -0.015 | win |
|
||||
| Alvra 103 A2A (int16) | SwissFEL Alvra, JUNGFRAU 16M | 53,734 | 199,136 indexed | 2.45 / 2.65 | 86 s | 623 Hz | 0.253 | 0.264 | -0.011 | win |
|
||||
|
||||
**6 wins, 5 draws, 1 loss** of 12, with no detector distance and no gain given to any set.
|
||||
**6 wins, 5 draws, 1 loss** of 12, with no detector distance and no gain given to any set. The twelve
|
||||
runs take 1,237 s together.
|
||||
|
||||
- The Alvra rows use int16 photon-count copies of the files. The original float32 files are in
|
||||
report.md as well: MbCO 0.211 (272 s), A2A on a 11,910-image subset 0.257 (502 s); reading float32
|
||||
frames, not processing, makes up the difference in time.
|
||||
report.md as well: MbCO 0.211 (236 s, 121 Hz), A2A on a 11,910-image subset 0.257 (433 s); reading
|
||||
the float32 frames, not processing them, makes up the difference in time.
|
||||
- LCLS 242 holds two crystal forms in the same runs. Form S, the major one, wins. Form T is a loss;
|
||||
frames of both forms enter the stills geometry fit, and separating the forms before it is open work.
|
||||
- EuXFEL 152's frames carry an uncorrected baseline; its gain is read from the spacing of the photon
|
||||
Reference in new issue
Block a user