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3 Commits
Author SHA1 Message Date
leonarski_f 2fb4b1d015 Rugnux live page: a hero panel with resolution, ISa, space group and whether the model was placed
Under the header of the Rugnux live page, four big-number cards in the manner of jfjoch_viewer's merge
statistics window: Resolution (d_min of the merge), ISa, Space group (short symbol, screw axes
subscripted) and the model. The model card shows the fit over random orientations - R-work of the placed
model below its random-orientation null, in sd - which is the test rugnux places a model by, both for
molecular replacement (after the TFZ/LLG-Z gate) and for a model that fits where it is. The card is green
where rugnux placed the model (placement MR or RIGID_BODY), red where it did not (with MR's reason), grey
where no model was uploaded; no threshold of its own. "—" while the run is going, "searching…" during
the MR step.

/rugnux/status gains `space_group`, `d_min` and `isa` (set with the result; absent until then, isa also
where the error model did not determine it), filled from ProcessResult in RugnuxThread with the values
the summary's Space group, Resolution and Signal rows print.

Generated code regenerated from jfjoch_api.yaml: broker/gen (cpp-pistache-server 7.20.0), the TypeScript
client (npm run openapi) and broker/redoc-static.html. Python client not regenerated.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit fcc019707751aab9d8c9f349309eeadcf364b9c2)
2026-10-25 07:20:28 +01:00
leonarski_f 128830d15e rugnux live status: the model's scores, and whether the data carry anomalous signal
/rugnux/status gains `model` (rugnux_live_model) - placement (RIGID_BODY/MR/NOT_PLACED), R-work and
R-free of the placed, unrefined model, CC(model, data), R-work over its random-orientation null, mean
2mFo-DFc at the atoms, the rigid body's move, molecular replacement's decision, group, copies,
TFZ/RFZ/LLG-Z and search resolution, and the strongest anomalous site - taken from
ProcessResult::model_validation and ::model_prior (LiveModel). `anomalous_signal` says the summary's
"Anomalous" row reports usable signal (CC_anom > CC_ANOM_SIGNAL, now a named constant shared with the
report), so the viewer can show the anomalous map by default only then.

The step that placed the model (Molecular replacement, or Model validation) now carries notes: what
MR placed and its TFZ/RFZ, R-work/R-free (unrefined) and CC(model, data), the rigid-body move.

Generated code regenerated from jfjoch_api.yaml: broker/gen (cpp-pistache-server), the TypeScript
client (npm run openapi) and broker/redoc-static.html. Python client not regenerated.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit f602e931dc6afcccb3767b8c6df87650d9496033)
2026-10-24 19:06:04 +02:00
leonarski_f afbe844b20 v1.0.0-rc.178 (#88)
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* Rugnux: Processes serial crystallography data from XFELs - SACLA (MPCCD), PAL-XFEL and European XFEL (CXI), LCLS (XTC) and SwissFEL Alvra (JUNGFRAU with a CrystFEL module geometry) - with several files or Jungfraujoch master files merged in one run (`rugnux *_master.h5`).
* Rugnux: Stills processing takes a known unit cell and space group as a starting point, finds the beam centre (and, with a cell, the detector distance) from the images, detects the saturation level in other facilities' files and refines the placement of individual detector panels.
* Rugnux: The stills report gives R_split and CC1/2 from frame half-sets, comparable with CrystFEL.
* jfjoch_viewer: Opens the same XFEL file formats.
* Validation: A stills battery checks Rugnux against deposited structures from SACLA, PAL-XFEL, LCLS, European XFEL and SwissFEL.
* Rugnux: More reliable convergence of rotation scaling, and live molecular replacement starts as soon as the model is uploaded.
* jfjoch_broker: Initialize clears the previous dataset's bearer tokens, image buffer and live Rugnux status, and a slow CUDA JIT cache is reported at start.

Reviewed-on: #88
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-10-21 11:20:01 +02:00