7 Commits

Include renames

Author	SHA1	Message	Date
leonarski_fandClaude Opus 5	6081b6bc43	docs: credit the L test, FFT indexing, TORO, Niggli, peakfinder8 and SparseCCL ... Six methods the pages name or describe carried no citation: Padilla & Yeates (the L test), Steller, Bolotovsky & Rossmann (the projection/FFT autoindexing MOSFLM implements), TORO (what ffbidx implements), Krivy & Gruber and the ITA lattice-character table (the reduction and Bravais assignment), Cheetah's peakfinder8 (the per-ring background statistics of the adaptive finder) and Hennequin et al.'s SparseCCL (already credited to traccc, now also to its authors). Each gets its ACKNOWLEDGEMENT.md paragraph, a References entry in CPU_DATA_ANALYSIS.md, and a one-line credit at the algorithm. The Sheriff & Hendrickson / Popov & Bourenkov entry is re-scoped so each claim sits on the paper that supports it - P&B 2003 is titled, and credited for the sigma-aware anisotropy estimation its statistic modelling contains, not for the tensor and its constraints. All DOIs verified against the publishers; the SparseCCL DOI resolves to IEEE document 9049184 (IEEE blocks content scraping, so verified by the resolved document id plus two independent sources). Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N	2026-09-02 09:18:36 +02:00
leonarski_fandClaude Opus 5	0af109b838	Spot finding: bound how large a spot may be, not how bright ... A component of more than 50 connected pixels was discarded. Under the self-calibrating threshold that is an INTENSITY CEILING, not a size bound: the threshold is an absolute per-ring contour, so a component's area above it grows as sigma^2*ln(A/T), without bound in the peak amplitude. Measured on the strong rotation set, footprints run 3 px at 30-100 counts to 50 px above 10000 - a slope of 4.4 px per ln(peak) against the fixed local-box test's 0.8, which saturates at 13 px and never reaches the bound at all. So the brighter a reflection, the more certainly it was thrown away: 59% of the box finder's d>3 A spots were missing from the adaptive finder's list, including every one of its ten strongest, at an intensity ratio of 1.085 for those that did match. Indexed spots per image collapsed from 220 to 7. Raise the bound to 200 - CrystFEL peakfinder8's --max-pix-count, the only directly comparable number in the field; XDS has no such parameter and guards on shape instead - and ask a component above 50 pixels to be COMPACT: it must fill a fifth of the square its bounding box fits inside. A Bragg reflection is round and fills about half of that square however bright it is; an ice arc, a cosmic-ray track or a lit detector row fills a fifth or less, and those are what an upper bound was ever protecting against. Below 50 nothing is asked of the shape, so every component accepted before still is. Integer arithmetic on both sides, and on the GPU the bounding side fits in what was padding, so the device struct does not grow. The shape test is what makes the raise safe. With a flat 200 alone, two battery crystals moved: one lost a little I/sigma, and the other's de-novo lattice was NOT MONOTONE in the bound - correct at 50, 100 and 200, wrong at 150 and at 250 and above - so 200 was partly luck. With the shape test both are unchanged to three decimals. De novo at defaults on the strong set: indexing rate 0.574 -> 0.804, completeness 97.3 -> 99.6%, <I/sigma> 3.42 -> 6.07, R_meas 0.299 -> 0.249, CC1/2 0.947 -> 0.961, ISa 3.29 -> 4.13. The full 37-crystal battery, scored per shell, is still owed. Also documents what StrongPixelSet::AddStrongPixel has required since the component search became linear - pixels in raster order - and puts the existing test's insertion order into it. Both callers scan a bitmap in ascending flat index and always satisfied it; the test did not, and was the only thing that did not. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01FBumeJVx4oeXxiBRpkrE5H	2026-08-28 11:49:49 +02:00
leonarski_fandClaude Opus 5	ac202a55a1	Spot finding: the strong-pixel limit follows the detector ... An image with 65535 or more strong pixels was given up on and reported ZERO spots - silently, no log line, indistinguishable from a frame that did not diffract. 65535 is one pixel in 64 of the JUNGFRAU 4M the number was written for; left fixed while the detectors grew it became one in 276 of an 18-megapixel EIGER, which a strongly diffracting crystal passes on its best frames. On the strong rotation set just added to the battery it cost 767 of 1800 images: peakCountUnfiltered 0 and resolutionEstimate NaN across two blocks of the sweep, the two where the crystal diffracts hardest. Make the bar one pixel in 64 everywhere, and never below the value that stood here, so no smaller detector loses ground. It lived in three places - the host extractor, StrongPixelSet, and SpotExtractorGPU's buffer capacity - now one function. The bar was there for a reason and raising it alone would not have been safe. sparseccl walks a sliding window of the last two lines and tests every pixel in it, which is quadratic in how many strong pixels a line pair holds: a handful for the silicon-tracker hits upstream wrote it for, four thousand for a lit detector line, and 76 seconds for a fully lit frame. But the pixels arrive in raster order, so the window need not be walked at all - a pixel's earlier 8-neighbours are the one to its left and the at most three above it, which is what the GPU extractor already finds by binary search. Keeping the previous line's range and a forward-only cursor gives the same edge set and the same unions in the same order, so the labels are identical, and the fully lit frame now takes 0.16 s. Verified bit-identical on real frames, on fully dense frames, across occupancy 1e-5 to 5e-2, and on 4000 randomised images including ones with blank lines; SpotExtractorGPU's host-vs-device parity test passes untouched. ImagePreprocessorBufferGPU's gather staging was sized to the old constant, with a comment tying it to the caller's give-up. Raising that give-up without it would have run the gather off the end of the device buffer, so it follows the same limit now. Byte-identical .hkl on three battery crystals that never reach the bar. On the strong set, with symmetry, cell and geometry pinned so only the spot list moves: <I/sigma> better in every resolution shell, CC1/2 97.8 -> 98.5%, R_meas 30.5 -> 28.4%, ISa 3.36 -> 3.58, indexing rate 0.772 -> 0.824. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01FBumeJVx4oeXxiBRpkrE5H	2026-08-28 10:38:10 +02:00
leonarski_f	538f3504d3	v1.0.0.rc-161 (#71) ... This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * **rugnux: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>	2026-08-13 17:03:10 +02:00
leonarski_f	c981e1b91c	v1.0.0-rc.137 (#46) ... This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132. * jfjoch_broker: Better track time for each operation in the processing stack * jfjoch_broker: Rewrite preprocessing of diffraction images in the non-FPGA workflow to better use GPUs (work in progress) * jfjoch_broker: Remove ROI calculation in the non-FPGA workflow (work in progress) * jfjoch_viewer: Toolbar displays image number starting from 1 (instead of 0) Reviewed-on: #46	2026-04-25 19:59:21 +02:00
leonarski_f	5d9d2de4a4	v1.0.0-rc.81	2025-09-21 19:27:51 +02:00
leonarski_f	bb32f27635	v1.0.0-rc.70	2025-08-27 06:21:10 +02:00