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Stills partiality: adopt the refined tilt only when it fits better
RefineOne re-measured the image's correlation to the reference after writing the
refined partialities - because --min-image-cc drops images by it - and then
ignored what it measured. A crystal the tilt model suits worse than the fixed
partiality it replaces kept the refined model anyway, and the refinement is on by
default. Compare against the CC the crystal arrived with and put it back
untouched when the refinement does not improve it, which is the same state a
crystal with too few reflections to fit ends in.

Also four things noted in review and left until now: AdaptiveThresholdTest.cpp
was listed twice in the test target, AdaptiveThreshold.h was the one header in
image_analysis/spot_finding not in its library's source list, CLAUDE.md said
update_version.sh rewrites VERSION when it only reads it, and the CHANGELOG did
not mention that image_scale_b is gone from the plot_type enum - which breaks a
client that asks for that plot.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
2026-07-30 22:03:18 +02:00

15 KiB
Raw Blame History

CLAUDE.md

This file provides guidance to Claude Code (claude.ai/code) when working with code in this repository.

What this is

Jungfraujoch is the data-acquisition and analysis system for the PSI JUNGFRAU and EIGER X-ray detectors. It receives detector data, runs it through an FPGA-accelerated pipeline (spot finding, azimuthal/ROI integration, compression), streams images out over ZeroMQ for writing to HDF5, and runs crystallographic analysis (indexing, integration, scaling/merging). Most authoritative documentation lives in docs/ and on Read The Docs (https://jungfraujoch.readthedocs.io). When changing CLI behaviour, the program's own usage message is the source of truth, not the docs.

Build

Out-of-source CMake build, C++20, heavy use of FetchContent (spdlog, zstd, HDF5, slsDetectorPackage, Catch2, cpp-httplib, libzmq, Ceres, fast-feedback-indexer are downloaded and statically linked — the first configure needs network access and is slow).

mkdir build && cd build
cmake -DCMAKE_BUILD_TYPE=Release ..
make -j$(nproc) jfjoch_broker      # the main service; build other targets by name

Key CMake options:

  • JFJOCH_USE_CUDA (default ON) — GPU path. Needs CUDA ≥ 12.8. Provides the ffbidx and fft GPU indexers; without it only the CPU fftw indexer is available (requires FFTW at configure time, auto-detected). CUDA absence is not a build error.
  • JFJOCH_WRITER_ONLY (default OFF) — builds only the HDF5 writer; skips broker, FPGA, receiver, analysis, tests, frontend.
  • JFJOCH_VIEWER_BUILD (default OFF) — builds the Qt6 jfjoch_viewer desktop app.
  • SLS9 (default OFF) — build against slsDetectorPackage 9.2.0 instead of 8.0.2.

The frontend is a separate custom target: make frontend (runs npm ci && npm run build in frontend/). It is not built by default unless installing.

Test

Tests use Catch2 and are collected into a single binary tests/jfjoch_test.

make -j$(nproc) jfjoch_test
cd tests
./jfjoch_test                       # all tests
./jfjoch_test "<test name>"         # one test case (exact name in TEST_CASE)
./jfjoch_test "[tag]"               # by tag
./jfjoch_test -r junit -o report.xml

make jfjoch_hdf5_test builds the HDF5 write-speed benchmark, also used by CI to produce files that are validated against XDS (Durin/Neggia) and CrystFEL.

Lint config is .clang-tidy (broad * check set with many exceptions; namespaces lower_case, classes CamelCase, global constants UPPER_CASE).

Code style

The overriding principle is simple, readable code — favour the smallest, most direct implementation that a reader can verify at a glance. Extra abstraction, speculative guards, and clever-but-dense constructs are treated as actively harmful, not as polish. When torn between a tidy abstraction and a flat, obvious version, pick the obvious one.

This matters most in image_analysis/pixel_refinement/ (e.g. PixelRefine.cpp), which is an experimental prototype where readability is how the physics gets verified — keep it especially plain. Do not add defensive/unrequested code (extra validation, rejection heuristics, "just in case" branches) without asking first; if a guard isn't clearly needed, leave it out.

Match the surrounding code's idiom, naming, and comment density rather than importing a different style.

No sample identities in the repository

Never put sample names or sample-specific measured values into source code, comments, documentation, commit messages, or test fixtures. Datasets belong to users and may be confidential or embargoed; anything committed can leak outside the group working on them. This is a hard rule, not a preference.

  • Forbidden: sample/dataset names or internal codes (a protein name, a beamline dataset ID, a run label), and measured unit-cell parameters tied to a real sample (this is the most sensitive — never hardcode "protein X has cell a,b,c").
  • Fine: general crystallographic descriptors — space group / Laue class ("a P2₁ crystal", "a holohedral 422 case"), lattice centering, twinning, "a crystal whose true axis is reported as its 3× harmonic", pseudo-symmetry, etc. Describe the crystallographic situation, not the specimen.
  • Exception — plain lysozyme. Lysozyme (HEWL) is the field's universal standard test specimen, not a user's confidential dataset, so naming it and using its well-known reference cell (tetragonal ~79/79/38, P4₃2₁2) in tests, docs and comments is allowed. This carve-out is only for generic lysozyme as a benchmark; a named user dataset that happens to be lysozyme is still off limits, and every other real sample remains forbidden.
  • Tests must otherwise use neutral names (e.g. tetragonal_uc, not a specimen-named variable) and, where a cell is needed, a synthetic cell chosen for the test — not a real dataset's parameters.

When a bug was found on a specific dataset, commit the behaviour ("de-novo indexing adopted a spurious axis-multiple supercell"), never the dataset.

Local end-to-end run (no detector / no FPGA)

The FPGA HLS logic can be simulated on the CPU (HLSSimulatedDevice), so the full software stack runs without hardware (slowly — fixed-point math on CPU). See docs/JFJOCH_BROKER.md for the canonical walkthrough.

cd build/broker
./jfjoch_broker ../../etc/broker_local.json 5232      # config JSON + HTTP port
# then, separately:
cd tests/test_data && python jfjoch_broker_test.py     # feeds a test image, starts collection
# observe at http://localhost:5232 ; HDF5 is written under build/broker

etc/broker_local.json, broker_eiger.json, broker_crmx.json are example broker configs (schema = jfjoch_settings in broker/jfjoch_api.yaml).

Architecture

Data flow (online): detector → FPGA acquisition (fpga/, acquisition_device/) → receiver/ builds full images from per-module FPGA output → image_pusher/ streams CBOR-encoded images over ZeroMQ → jfjoch_writer (writer/) consumes the stream and writes NXmx HDF5. The broker also emits a low-rate preview stream and a metadata stream (preview/).

Writer file split: one acquisition produces one _master.h5 plus many _data_NNNNNN.h5 files. Dataset-wide metadata (geometry, detector config, ROI/azimuthal definitions — anything fixed for the whole run) is written to the master file in writer/HDF5NXmx.cpp (the NXmx class). Per-image arrays (one entry per frame) are written to the data files by the HDF5DataFilePlugin subclasses in writer/. Put shared metadata in NXmx, not in a data-file plugin.

The HDF5 master/data layout is one of three FileWriterFormats (common/JFJochMessages.h), all NXmx: NXmxLegacy (master + _data_NNNNNN.h5 joined by external links), NXmxVDS (master + data joined by HDF5 virtual datasets — the default), and NXmxIntegrated (a single self-contained file, no separate data files). Per-image plugins must work for all three; with NXmxIntegrated "master" and "data" are the same file.

Two acquisition workflows: the FPGA-accelerated path (JUNGFRAU at PSI; FPGA does masking, summation, spot finding, ROI/azimuthal integration, compression) and the DECTRIS SIMPLON path (EIGER), which has no FPGA — masking/ROI/azimuthal analysis then runs on CPU through the shared image_analysis/ library. Treat ROI and azimuthal features as available in both workflows, not FPGA-only.

jfjoch_broker (broker/) is the central online service: HTTP/REST + OpenAPI control plane, FPGA configuration, image building, ZeroMQ output. JFJochStateMachine drives acquisition state; JFJochServices wires the pieces; OpenAPIConvert/JFJochBrokerParser translate between the generated API model and internal types.

Three analysis frontends share one analysis library (image_analysis/, built as JFJochImageAnalysis):

  • jfjoch_broker — online, real-time (FPGA + GPU).
  • jfjoch_viewer — interactive Qt desktop (viewer/), results not persisted.
  • rugnux (tools/rugnux_cli.cpp, built on the Rugnux library in rugnux/) — offline batch over a stored HDF5; writes _process.h5 and .mtz/.cif/.hkl. Merging is on by default (--no-merge to disable); --azint-only runs only azimuthal integration and --scale re-scales/merges the already-integrated reflections in a _process.h5. (rugnux = the data-processing half of the system; see docs/NAMING.md.)

image_analysis/ pipeline (subdirs): spot_finding, indexing (ffbidx/fft GPU, fftw CPU), lattice_search, geom_refinement, pixel_refinement, bragg_prediction, bragg_integration, rotation_indexer, azint, roi, scale_merge. Least-squares refinement uses Ceres (fetched, built with miniglog, no MKL, CXX_THREADS). ffbidx needs a known cell (-C) and suits sparse serial stills; fft/fftw index de novo and suit strong rotation data.

FPGA (fpga/): hls/ is the Vitis HLS source (image-analysis kernels), hls_simulation/ runs that same HLS on CPU for hardware-free testing, host_library/ is the host-side driver, pcie_driver/ is the kernel module. The HLS algorithms are documented in docs/FPGA_DATA_ANALYSIS.md.

Detector control (detector_control/): wrappers for SLS (JUNGFRAU) and DECTRIS SIMPLON (EIGER). jungfrau/: JUNGFRAU ADU→energy gain/pedestal calibration.

Other libs: common/ (geometry, diffraction experiment, image buffer, CUDA wrappers — the shared core, linked nearly everywhere), compression/ (zstd + bitshuffle + sqrt lossy), frame_serialize/ (CBOR stream codec), gemmi_gph/ (vendored GEMMI for MTZ/XDS_ASCII I/O), xds-plugin/ (XDS HDF5 read plugin).

Portability (jfjoch_viewer)

Cross-platform support is a goal only for jfjoch_viewer and its dependency tree — keep that code, and any shared library it transitively links (common/, image_analysis/, reader/, gemmi_gph/, etc.), MSVC-compatible so the viewer can build on Windows. The rest of the project (broker, receiver, FPGA host, detector control, …) is Linux-only and does not need to be portable; don't constrain it for portability's sake.

  • Windows/MSVC is the primary portability target. The end goal is a Windows viewer built with MSVC and CUDA (JFJOCH_USE_CUDA=ON): GPU processing is a wanted feature, not optional, so the intended Windows config is the full GPU path (ffbidx, GPU fft), not a CPU-only fallback. MSVC is required regardless, because CUDA on Windows requires it. Avoid GCC/Clang-only extensions, POSIX-only APIs, and other non-MSVC constructs in viewer-reachable code, and keep CUDA-reachable viewer code (ffbidx, GPU indexers) MSVC-buildable too.
  • macOS is a nice-to-have for the viewer. It rules out CUDA, so anything the viewer depends on must also have a working CPU-only / non-CUDA path (the JFJOCH_USE_CUDA=OFF, fftw-indexer configuration). This non-CUDA path must keep working, but it is the macOS fallback — not the intended Windows configuration.

A self-contained Windows build still needs a few dependencies that the Linux build picks up from the system and that are not auto-provided via FetchContent (besides Qt, supplied externally): ZLIB (pulled by hdf5/libtiff/gemmi/libzmq — a bundled zlib-ng in ZLIB_COMPAT mode is the intended fix, presented as the ZLIB::ZLIB target so the scattered find_package(ZLIB) calls resolve), libjpeg-turbo (used by preview/; upstream discourages add_subdirectory, so bring it in via ExternalProject), and Eigen (header-only; needed by Ceres, by the analysis libs directly, and by ffbidx under CUDA — fetch it and point Ceres' internal find_package(Eigen3) at it). Wire each guarded so the Linux build, which finds these on the system, stays unchanged.

OpenAPI is the single source of truth

broker/jfjoch_api.yaml defines the entire REST API and the shared data schemas. From it, update_version.sh regenerates three clients — do not hand-edit generated code:

  • C++ server model → broker/gen/ (cpp-pistache-server generator; compiled as JFJochAPI).
  • Python client → python-client/ (and gen_python_client.sh, published as PyPI jfjoch-client).
  • TypeScript frontend client → frontend/src/client/ (hey-api openapi-ts, npm run openapi).

When you change jfjoch_api.yaml, regenerate the relevant client(s); for a version bump write the new version into VERSION and run update_version.sh (which reads it and rewrites frontend/src/version.ts, docs/conf.py, the python client and the Redoc html).

Frontend

React 19 + TypeScript + MUI + Vite (frontend/). Data layer is generated from the OpenAPI spec (@hey-api/openapi-ts → fetch client + TanStack Query hooks + zod schemas). Scripts: npm start (dev server), npm run build (tsc + vite), npm run openapi (regen client), npm run redocly4broker (regen broker/redoc-static.html).

Adding a per-image scalar quantity

A per-image scalar (e.g. ice_ring_score, bkg_estimate, mosaicity) flows analysis → message → CBOR → HDF5 → scan-result/plot → API → viewer/frontend. To add one, mirror an existing float scalar (bkg_estimate is a clean template) at every layer:

  1. Compute where the azint profile is finalized: image_analysis/MXAnalysisWithoutFPGA.cpp (CPU), receiver/JFJochReceiverFPGA.cpp (FPGA), and the offline azint worker in rugnux/Rugnux.cpp.
  2. Message (common/JFJochMessages.h): std::optional<float> in DataMessage, std::vector<float> in EndMessage.
  3. CBOR: encode in frame_serialize/CBORStream2Serializer.cpp (DataMessage block and END block), decode in CBORStream2Deserializer.cpp (both). Optional fields are back-compatible — no version bump.
  4. HDF5 write: writer/HDF5DataFilePluginMX.{h,cpp} — an AutoIncrVector<float> with reserve / per-image write / SaveVector("/entry/MX/<name>") (per-image arrays live in the data-file plugin); plus the NXmx master write in writer/HDF5NXmx.cpp (SaveVectorIfMissing(..., end.<name>)). HDF5 read-back (so a stored file re-opens, e.g. in the viewer) is in reader/HDF5MetadataSource.cpp, NOT JFJochHDF5Reader.cpp: mirror the three bkgEstimate sites — master ReadOptVector, data-file ReadVector into the dataset, and the per-image message population.
  5. Scan result: common/ScanResult.h (ScanResultElem) + common/ScanResultGenerator.cpp (copy in Add, resize+fill in FillEndMessage).
  6. Receiver plot: common/Plot.h (PlotType) + common/JFJochReceiverPlots.{h,cpp} (StatusVector
    • Clear / AddElement / GetPlots / GetPlotRaw cases).
  7. API: add to the plot_type enum and the scan_result images schema in broker/jfjoch_api.yaml, regenerate the C++ model (java -jar openapi-generator-cli.jar generate -i broker/jfjoch_api.yaml -o broker/gen -g cpp-pistache-server) and the frontend client (cd frontend && npm run openapi), then wire broker/OpenAPIConvert.cpp (ConvertPlotType string→enum and the Convert(ScanResult) setter).
  8. Reader/viewer: reader/JFJochReaderDataset.h + reader/JFJochHttpReader.cpp (GetPlot_i) and viewer/JFJochViewerDatasetInfo.cpp (combo item + ExtractMetric).
  9. Frontend: frontend/src/components/DataProcessingPlots.tsx (MenuItem) + DataProcessingPlot.tsx (y-axis label).
  10. Docs: docs/CBOR.md, docs/HDF5.md, docs/CPU_DATA_ANALYSIS.md.

Gotcha: an existing build/ dir needs a cmake . reconfigure to pick up a newly-added broker/gen source file (the source list is a configure-time glob).