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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) |
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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> |