From 2d7125260ec2e4183bf68e78f69f6a71f7e3b62e Mon Sep 17 00:00:00 2001 From: Filip Leonarski Date: Thu, 22 Oct 2026 14:45:20 +0200 Subject: [PATCH] battery results: XFEL still battery 20261022-1358 on rc178 0cf62452c - 12 sets, cold, R_free unrefined Twelve public XFEL serial sets (SACLA, PAL-XFEL, LCLS, European XFEL, SwissFEL), each read cold from disk on the workstation, with time to map, processing rate and R_free of the deposited model against our merge and against the deposited structure factors under one unrefined protocol: 6 wins, 4 draws, 2 losses (more than 0.01 apart counts). Co-Authored-By: Claude Opus 5.5 Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu --- .../manifest.json | 446 ++++++++++++++++++ .../report.md | 36 ++ .../results.json | 398 ++++++++++++++++ .../summary.md | 36 ++ 4 files changed, 916 insertions(+) create mode 100644 tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/manifest.json create mode 100644 tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/report.md create mode 100644 tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/results.json create mode 100644 tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/summary.md diff --git a/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/manifest.json b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/manifest.json new file mode 100644 index 000000000..a016f9868 --- /dev/null +++ b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/manifest.json @@ -0,0 +1,446 @@ +{ + "kind": "still", + "label": "still-stills-easy-final", + "private": false, + "subset": "sacla243,sacla237,sacla236,pal86,pal90,lcls222,lcls242_s,lcls242_t,euxfel83,euxfel152,alvra213_int16,alvra103_all", + "binary": { + "version": "1.0.0-rc.178", + "git": "5f8c73", + "copied_from": "/data/tmp/still_work/stills_easy/bin/rugnux_gate", + "sha256": "d6d26a967f9776f83a12c97ee1da59752f7658b169cee90ce26e2f0c2bb627c3" + }, + "runner_git": "0cf62452c", + "host": "mpc2898.psi.ch", + "hardware": { + "cpu_model": "AMD Ryzen 9 5950X 16-Core Processor", + "cpu_base_ghz": 3.401, + "cpu_base_source": "acpi_cppc", + "cpu_max_boost_ghz": 5.083398, + "sockets": 1, + "physical_cores": 16, + "threads": 32, + "memory_gib": 125.30755615234375, + "gpus": [ + { + "name": "NVIDIA GeForce RTX 5080", + "memory": "16303 MiB" + } + ] + }, + "start": "2026-10-22T13:58:48", + "end": "2026-10-22T14:44:38", + "complete": true, + "options": { + "threads": null, + "timeout": 21600, + "tier": null, + 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"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" + ], + "args": [ + "--crystfel-geometry", + "{data}/swissfel_103/ref/jf-16M_mask.geom", + "--gain", + "1", + "--wavelength", + "2.7130", + "-C", + "40.34,180.66,143.05,90,90,90", + "-S", + "C2221" + ], + "tiers": {} + } + ] +} \ No newline at end of file diff --git a/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/report.md b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/report.md new file mode 100644 index 000000000..a48b93b36 --- /dev/null +++ b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/report.md @@ -0,0 +1,36 @@ +# Rugnux still battery - 20261022-1358_5f8c73_still-stills-easy-final + +- binary: rugnux 1.0.0-rc.178 (git 5f8c73), ? +- host: mpc2898.psi.ch; AMD Ryzen 9 5950X 16-Core Processor, 32 threads, 125 GiB; GPUs: NVIDIA GeForce RTX 5080 +- start 2026-10-22T13:58:48, end 2026-10-22T14:44:38; subset: sacla243,sacla237,sacla236,pal86,pal90,lcls222,lcls242_s,lcls242_t,euxfel83,euxfel152,alvra213_int16,alvra103_all +- 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 | 99.2 | 1.442 | 5.8% | 0.196 | 0.208 | 0.194 | -0.012 | win | 294.7 | 5.65 | 43.5 | cold | +| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla237 | 9S06 | 10,789 | - | 99.8 | 2.35 | 13.2% | 0.223 | 0.216 | 0.219 | +0.007 | draw | 92.0 | 8.53 | 9.6 | cold | +| SACLA | BL2 | MPCCD (8 panels, 50 um) | sacla236 | 9V3D | 16,083 | 16,083 | 93.3 | 1.593 | 6.7% | 0.195 | 0.237 | 0.225 | -0.042 | win | 111.0 | 6.9 | 13.4 | cold | +| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal86 | 6IG7 | 46,900 | - | 57.5 | 1.526 | 16.1% | 0.203 | 0.212 | 0.202 | -0.008 | draw | 116.1 | 2.48 | 22.2 | cold | +| PAL-XFEL | NCI | Rayonix MX225-HS (4x4 binned, 156 um) | pal90 | 6IRK | 79,805 | - | 66.5 | 1.53 | 23.9% | 0.201 | 0.238 | 0.203 | -0.037 | win | 161.4 | 2.02 | 33.9 | cold | +| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls222 | 8TDQ | 8,534 | - | 56.5 | 1.654 | 24.5% | 0.200 | 0.205 | 0.201 | -0.006 | draw | 27.7 | 3.24 | 14.5 | cold | +| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_s | 9O4S | 82,388 | - | 10.2 | 1.838 | 12.0% | 0.237 | 0.253 | 0.210 | -0.016 | win | 251.1 | 3.05 | 121.9 | cold | +| LCLS | MFX | Rayonix MX340-HS (4x4 binned, 177 um) | lcls242_t | 9O4T | 82,388 | - | 6.6 | 2.598 | 41.0% | 0.309 | 0.253 | 0.235 | +0.056 | loss | 260.1 | 3.16 | 121.9 | cold | +| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel83 | 6GTH | 14,445 | 14,445 | 93.8 | 1.595 | 21.2% | 0.230 | 0.220 | 0.210 | +0.010 | loss | 357.9 | 24.77 | 4.9 | cold | +| European XFEL | SPB/SFX | AGIPD 1M (200 um) | euxfel152 | 6U57 | 33,528 | 37,006 | 64.5 | 2.449 | 12.9% | 0.254 | 0.244 | 0.249 | +0.009 | draw | 793.9 | 23.68 | 11.3 | cold | +| SwissFEL | Alvra | JUNGFRAU 4M (75 um) | alvra213_int16 | 8BKH | 28,428 | - | 98.6 | 1.256 | 17.5% | 0.211 | 0.227 | 0.227 | -0.016 | win | 43.8 | 1.54 | 9.7 | 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 | 84.2 | 1.57 | 36.8 | cold | + +## Commands + +- `sacla243`: `rugnux -o p --no-export-unmerged -C 39.36,79.16,145.40,90,90,90 -S P 2 21 21 --model 31jt.pdb /sacla_243/raw_all/run*.h5` +- `sacla237`: `rugnux -o p --no-export-unmerged -C 64.80,71.09,207.26,90,90,90 -S P212121 --model 9s06.pdb /sacla_237/raw/run13063[7-9]-*.h5 /sacla_237/raw/run13064[0-2]-*.h5` +- `sacla236`: `rugnux -o p --no-export-unmerged -C 79.45,79.45,38.15,90,90,90 -S P43212 --model 9v3d.pdb /sacla_236/raw/run157*.h5` +- `pal86`: `rugnux -o p --no-export-unmerged --detector-distance 105 --detect-ice-rings=on -C 92.663,92.663,128.591,90,90,120 -S P6122 --model 6ig7.pdb /pal_86/raw/*.cxi /pal_86/raw_more/*.cxi` +- `pal90`: `rugnux -o p --no-export-unmerged -C 93.050,99.000,101.920,90,90,90 -S I222 --model 6irk.pdb /pal_90/raw/*.cxi` +- `lcls222`: `rugnux -o p --no-export-unmerged --detector-distance 193.43 --polarization 0.998 -C 78.616,78.616,265.275,90,90,120 -S P6522 --model 8tdq.pdb /lcls_222/xtc/*.xtc /lcls_222/xtc_more/*.xtc` +- `lcls242_s`: `rugnux -o p --no-export-unmerged --detector-distance 199.0 --wavelength 1.294 --polarization 0.998 -C 92.044,93.019,49.014,90,92.69,90 -S P21 --model 9o4s.pdb /lcls_242/xtc/*.xtc /lcls_242/xtc_more/*.xtc` +- `lcls242_t`: `rugnux -o p --no-export-unmerged --detector-distance 199.0 --wavelength 1.294 --polarization 0.998 -C 96.031,94.536,50.529,90,91.18,90 -S P21 --model 9o4t.pdb /lcls_242/xtc/*.xtc /lcls_242/xtc_more/*.xtc` +- `euxfel83`: `rugnux -o p --no-export-unmerged --crystfel-geometry /euxfel_83/ref/agipd_mar18_v10.geom --gain 60 --wavelength 1.3332 --refine-geometry=off -C 41.84,41.84,233.28,90,90,120 -S P3221 --model 6gth.pdb /euxfel_83/raw/*.cxi` +- `euxfel152`: `rugnux -o p --no-export-unmerged --crystfel-geometry /euxfel_152/ref/kdo_embedded.geom --gain 62 --wavelength 1.3332 --refine-geometry=off -C 118,118,118,90,90,90 -S I23 --model 6u57.pdb /euxfel_152/raw/*.cxi` +- `alvra213_int16`: `rugnux -o p --no-export-unmerged --crystfel-geometry /swissfel_213/ref/mbco_march_mask.geom --gain 1 --wavelength 1.0300 -C 64.1,28.8,35.8,90,106.9,90 -S P21 --model 8bkh.pdb /swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_*_int16.h5` +- `alvra103_all`: `rugnux -o p --no-export-unmerged --crystfel-geometry /swissfel_103/ref/jf-16M_mask.geom --gain 1 --wavelength 2.7130 -C 40.34,180.66,143.05,90,90,90 -S C2221 --model 6s0l.pdb /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` diff --git a/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/results.json b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/results.json new file mode 100644 index 000000000..4ac936c90 --- /dev/null +++ b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/results.json @@ -0,0 +1,398 @@ +[ + { + "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 /sacla_243/raw_all/run*.h5", + "command_run": "/data/battery/runs/20261022-1358_5f8c73_still-stills-easy-final/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": 294.7, + "io_bytes": 217332469316, + "io_floor_s": 43.5, + "cache": "cold", + "input_files": 87, + "images": 52151, + "ms_per_image": 5.65, + "indexed_pct": 99.2, + "d_min": 1.442, + "r_split": 0.0577, + "cc_half_split": 0.9744, + "r_free_model_check": 0.2012, + "r_work": 0.1724, + "r_free": 0.1959, + "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 /sacla_237/raw/run13063[7-9]-*.h5 /sacla_237/raw/run13064[0-2]-*.h5", + "command_run": "/data/battery/runs/20261022-1358_5f8c73_still-stills-easy-final/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 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/swissfel_103/conv/run9.JF06T32V01_int16.h5", + "command_run": "/data/battery/runs/20261022-1358_5f8c73_still-stills-easy-final/bin/rugnux -o p --no-export-unmerged --crystfel-geometry /ssd/data/still_test/swissfel_103/ref/jf-16M_mask.geom --gain 1 --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 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/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": 84.2, + "io_bytes": 183987813247, + "io_floor_s": 36.8, + "cache": "cold", + "input_files": 59, + "images": 53734, + "ms_per_image": 1.57, + "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": "" + } +] \ No newline at end of file diff --git a/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/summary.md b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/summary.md new file mode 100644 index 000000000..00a91136c --- /dev/null +++ b/tools/battery/results/stills/20261022-1358_5f8c73_stills-easy-final/summary.md @@ -0,0 +1,36 @@ +# Rugnux on XFEL serial data - 2026-10-22 + +One rugnux binary, built from the source of rc178 0cf62452c (its banner reads 5f8c73: the last commit, +the overload gate, was built in before it was committed), 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, nothing else running. + +- **Time**: wall clock of the whole rugnux command, raw frames to merged MTZ, model placement and map + coefficients; **rate** = images / time, start-up included. +- **R_free**: REFMAC on the deposited model as deposited, NOT refined (first rigid-body cycle before any + shift: bulk solvent and anisotropic scale only), the deposition's free set, the reflections both data + sets share, at the lower of the two resolutions. "ours" uses our merge, "deposited SFs" the deposited + structure factors through the same protocol. Win / loss = more than 0.01 apart; draw otherwise. +- Each set is given the deposition's cell and space group (`-C`/`-S`); three sets are still given a + detector distance (PAL 86, LCLS 222, LCLS 242) - see the commands in report.md. + +| dataset (CXIDB) | facility, detector | images used | images behind the deposition | time | rate | R_free ours | R_free deposited SFs | difference | | +|---|---|---|---|---|---|---|---|---|---| +| SACLA 243 | SACLA BL2, MPCCD | 52,151 | 52,151 | 295 s | 177 Hz | 0.196 | 0.208 | -0.012 | win | +| SACLA 237 (dark) | SACLA BL2, MPCCD | 10,789 | ~600,000 hits | 92 s | 117 Hz | 0.223 | 0.216 | +0.007 | draw | +| SACLA 236 | SACLA BL2, MPCCD | 16,083 | 16,083 | 111 s | 145 Hz | 0.195 | 0.237 | -0.042 | win | +| PAL 86 | PAL-XFEL NCI, Rayonix MX225-HS | 46,900 | whole entry (one truncated file left out) | 116 s | 404 Hz | 0.203 | 0.212 | -0.008 | draw | +| PAL 90 | PAL-XFEL NCI, Rayonix MX225-HS | 79,805 | 79,805 hits (29,157 indexed) | 161 s | 494 Hz | 0.201 | 0.238 | -0.037 | win | +| LCLS 222 | LCLS MFX, Rayonix MX340-HS | 8,534 | runs 165-168 (we use 165) | 28 s | 308 Hz | 0.200 | 0.205 | -0.006 | draw | +| LCLS 242 form S | LCLS MFX, Rayonix MX340-HS | 82,388 | runs 256-310+ (we use 256-267) | 251 s | 328 Hz | 0.237 | 0.253 | -0.016 | win | +| LCLS 242 form T | LCLS MFX, Rayonix MX340-HS | 82,388 | same | 260 s | 317 Hz | 0.309 | 0.253 | +0.056 | loss | +| EuXFEL 83 | EuXFEL SPB/SFX, AGIPD 1M | 14,445 | 14,445 | 358 s | 40 Hz | 0.230 | 0.220 | +0.010 | loss | +| EuXFEL 152 | EuXFEL SPB/SFX, AGIPD 1M | 33,528 | 37,006 | 794 s | 42 Hz | 0.254 | 0.244 | +0.009 | draw | +| Alvra 213 MbCO dark (int16) | SwissFEL Alvra, JUNGFRAU 4M | 28,428 | whole dark series | 44 s | 649 Hz | 0.211 | 0.227 | -0.016 | win | +| Alvra 103 A2A (int16) | SwissFEL Alvra, JUNGFRAU 16M | 53,734 | 199,136 indexed | 84 s | 638 Hz | 0.253 | 0.264 | -0.011 | win | + +6 wins, 4 draws, 2 losses on 12 sets. + +- LCLS 242 form T is limited by its crystals: 6.6% of the frames index as T, weak. +- EuXFEL runs at ~40 Hz on the depositors' Cheetah CXI files (per-frame masks read under the HDF5 lock). +- The JUNGFRAU sets are int16 photon copies of the deposited float32 frames (same result, 4.5-9x faster).