battery results: XFEL still battery 20261022-1358 on rc178 0cf62452c - 12 sets, cold, R_free unrefined
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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 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
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leonarski_fandClaude Opus 5.5 committed 2026-10-22 14:45:20 +02:00
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{
"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,
"io_gbps": 5.0,
"cold": true
},
"sets": [
{
"id": "sacla243",
"cxidb": 243,
"facility": "SACLA",
"beamline": "BL2",
"detector": "MPCCD (8 panels, 50 um)",
"format": "Cheetah-SACLA HDF5",
"pdb": "31JT",
"sg": "P 2 21 21",
"d_cut": 1.63,
"r_free_deposited": 0.1943,
"images_deposited": 52151,
"inputs": [
"sacla_243/raw_all/run*.h5"
],
"args": [
"-C",
"39.36,79.16,145.40,90,90,90",
"-S",
"P 2 21 21"
],
"tiers": {}
},
{
"id": "sacla237",
"cxidb": 237,
"facility": "SACLA",
"beamline": "BL2",
"detector": "MPCCD (8 panels, 50 um)",
"format": "Cheetah-SACLA HDF5",
"pdb": "9S06",
"sg": "P 21 21 21",
"d_cut": 2.05,
"r_free_deposited": 0.219,
"images_deposited": null,
"inputs": [
"sacla_237/raw/run13063[7-9]-*.h5",
"sacla_237/raw/run13064[0-2]-*.h5"
],
"args": [
"-C",
"64.80,71.09,207.26,90,90,90",
"-S",
"P212121"
],
"tiers": {}
},
{
"id": "sacla236",
"cxidb": 236,
"facility": "SACLA",
"beamline": "BL2",
"detector": "MPCCD (8 panels, 50 um)",
"format": "Cheetah-SACLA HDF5",
"pdb": "9V3D",
"sg": "P 43 21 2",
"d_cut": 1.68,
"r_free_deposited": 0.2252,
"images_deposited": 16083,
"inputs": [
"sacla_236/raw/run157*.h5"
],
"args": [
"-C",
"79.45,79.45,38.15,90,90,90",
"-S",
"P43212"
],
"tiers": {
"smoke": {
"images": 2000
}
}
},
{
"id": "pal86",
"cxidb": 86,
"facility": "PAL-XFEL",
"beamline": "NCI",
"detector": "Rayonix MX225-HS (4x4 binned, 156 um)",
"format": "Cheetah CXI",
"pdb": "6IG7",
"sg": "P 61 2 2",
"d_cut": 1.8,
"r_free_deposited": 0.2024,
"images_deposited": null,
"inputs": [
"pal_86/raw/*.cxi",
"pal_86/raw_more/*.cxi"
],
"args": [
"--detector-distance",
"105",
"--detect-ice-rings=on",
"-C",
"92.663,92.663,128.591,90,90,120",
"-S",
"P6122"
],
"tiers": {}
},
{
"id": "pal90",
"cxidb": 90,
"facility": "PAL-XFEL",
"beamline": "NCI",
"detector": "Rayonix MX225-HS (4x4 binned, 156 um)",
"format": "Cheetah CXI",
"pdb": "6IRK",
"sg": "I 2 2 2",
"d_cut": 1.75,
"r_free_deposited": 0.203,
"images_deposited": null,
"inputs": [
"pal_90/raw/*.cxi"
],
"args": [
"-C",
"93.050,99.000,101.920,90,90,90",
"-S",
"I222"
],
"tiers": {
"smoke": {
"images": 1500
}
}
},
{
"id": "lcls222",
"cxidb": 222,
"facility": "LCLS",
"beamline": "MFX",
"detector": "Rayonix MX340-HS (4x4 binned, 177 um)",
"format": "LCLS-I XTC",
"pdb": "8TDQ",
"sg": "P 65 2 2",
"d_cut": 1.65,
"r_free_deposited": 0.2012,
"images_deposited": null,
"inputs": [
"lcls_222/xtc/*.xtc",
"lcls_222/xtc_more/*.xtc"
],
"args": [
"--detector-distance",
"193.43",
"--polarization",
"0.998",
"-C",
"78.616,78.616,265.275,90,90,120",
"-S",
"P6522"
],
"tiers": {
"smoke": {
"images": 1500
}
}
},
{
"id": "lcls242_s",
"cxidb": 242,
"facility": "LCLS",
"beamline": "MFX",
"detector": "Rayonix MX340-HS (4x4 binned, 177 um)",
"format": "LCLS-I XTC",
"pdb": "9O4S",
"sg": "P 1 21 1",
"d_cut": 1.95,
"r_free_deposited": 0.2102,
"images_deposited": null,
"inputs": [
"lcls_242/xtc/*.xtc",
"lcls_242/xtc_more/*.xtc"
],
"args": [
"--detector-distance",
"199.0",
"--wavelength",
"1.294",
"--polarization",
"0.998",
"-C",
"92.044,93.019,49.014,90,92.69,90",
"-S",
"P21"
],
"tiers": {}
},
{
"id": "lcls242_t",
"cxidb": 242,
"facility": "LCLS",
"beamline": "MFX",
"detector": "Rayonix MX340-HS (4x4 binned, 177 um)",
"format": "LCLS-I XTC",
"pdb": "9O4T",
"sg": "P 1 21 1",
"d_cut": 1.95,
"r_free_deposited": 0.2348,
"images_deposited": null,
"inputs": [
"lcls_242/xtc/*.xtc",
"lcls_242/xtc_more/*.xtc"
],
"args": [
"--detector-distance",
"199.0",
"--wavelength",
"1.294",
"--polarization",
"0.998",
"-C",
"96.031,94.536,50.529,90,91.18,90",
"-S",
"P21"
],
"tiers": {}
},
{
"id": "euxfel83",
"cxidb": 83,
"facility": "European XFEL",
"beamline": "SPB/SFX",
"detector": "AGIPD 1M (200 um)",
"format": "Cheetah CXI",
"pdb": "6GTH",
"sg": "P 32 2 1",
"d_cut": 1.69,
"r_free_deposited": 0.2096,
"images_deposited": 14445,
"inputs": [
"euxfel_83/raw/*.cxi"
],
"args": [
"--crystfel-geometry",
"{data}/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"
],
"tiers": {
"smoke": {
"images": 2000
}
}
},
{
"id": "euxfel152",
"cxidb": 152,
"facility": "European XFEL",
"beamline": "SPB/SFX",
"detector": "AGIPD 1M (200 um)",
"format": "Cheetah CXI",
"pdb": "6U57",
"sg": "I 2 3",
"d_cut": 2.8,
"r_free_deposited": 0.2489,
"images_deposited": 37006,
"inputs": [
"euxfel_152/raw/*.cxi"
],
"args": [
"--crystfel-geometry",
"{data}/euxfel_152/ref/kdo_embedded.geom",
"--gain",
"62",
"--wavelength",
"1.3332",
"--refine-geometry=off",
"-C",
"118,118,118,90,90,90",
"-S",
"I23"
],
"tiers": {
"smoke": {
"images": 2000
}
}
},
{
"id": "alvra213_int16",
"cxidb": 213,
"facility": "SwissFEL",
"beamline": "Alvra",
"detector": "JUNGFRAU 4M (75 um)",
"format": "int16 photons, bitshuffle/LZ4 copy",
"pdb": "8BKH",
"sg": "P 1 21 1",
"d_cut": 1.35,
"r_free_deposited": 0.2271,
"images_deposited": null,
"inputs": [
"swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_*_int16.h5"
],
"args": [
"--crystfel-geometry",
"{data}/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"
],
"tiers": {}
},
{
"id": "alvra103_all",
"cxidb": 103,
"facility": "SwissFEL",
"beamline": "Alvra",
"detector": "JUNGFRAU 16M (75 um)",
"format": "int16 photons, bitshuffle/LZ4 copy",
"pdb": "6S0L",
"sg": "C 2 2 21",
"d_cut": 2.65,
"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"
],
"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": {}
}
]
}
@@ -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 <data>/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 <data>/sacla_237/raw/run13063[7-9]-*.h5 <data>/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 <data>/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 <data>/pal_86/raw/*.cxi <data>/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 <data>/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 <data>/lcls_222/xtc/*.xtc <data>/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 <data>/lcls_242/xtc/*.xtc <data>/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 <data>/lcls_242/xtc/*.xtc <data>/lcls_242/xtc_more/*.xtc`
- `euxfel83`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/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 <data>/euxfel_83/raw/*.cxi`
- `euxfel152`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/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 <data>/euxfel_152/raw/*.cxi`
- `alvra213_int16`: `rugnux -o p --no-export-unmerged --crystfel-geometry <data>/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 <data>/swissfel_213/conv/march_dark_MbCO_II-March-06/data/dark/run_*_int16.h5`
- `alvra103_all`: `rugnux -o p --no-export-unmerged --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 --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`
@@ -0,0 +1,398 @@
[
{
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},
{
"facility": "PAL-XFEL",
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"set": "alvra103_all",
"dataset": 103,
"command": "rugnux -o p --no-export-unmerged --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 --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",
"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 /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": 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": ""
}
]
@@ -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).