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v1.0.0.rc-162 (#72)
**Files written by Jungfraujoch now import correctly in DIALS, XDS and pyFAI.** A tilted detector, a grid scan, a still recorded at a goniometer position, and saturated or unreadable pixels were each described in a way that a third-party program acted on wrongly. If you process Jungfraujoch data outside Jungfraujoch, prefer this release to any earlier one.

* HDF5: the detector tilt (`rot1`/`rot2`/`rot3`) is exported correctly in the NXmx transformation chain; untilted geometries are unaffected.
* HDF5: a still recorded at a goniometer position is no longer read back as a single image, and a grid scan records a stationary spindle so a program that requires a rotation axis can open it.
* HDF5: the sample transformation chain is written in mounting order, with a Smargon head position told apart from the spindle, one entry per image, `module_offset` as a float unit vector, and `offset_units` on every offset.
* HDF5: saturated, underloaded and unreadable pixels are described so a downstream program masks them - `saturation_value`, `underload_value`, `error_value` and `bit_depth_readout` are written correctly, and a data file missing next to a VDS master reads as the error marker rather than as zero counts.
* HDF5: the rotation axis is read back under whatever name it carries, and `mirror_y` records whether the assembled image is mirrored in Y relative to the detector's raw readout.
* A grid scan and a goniometer axis can both be set; they are no longer alternatives.
* `images_per_file` is chosen from the acquisition when it is not given: a rotation sweep of at most 20000 images goes into a single data file, a grid scan splits on whole fast-axis rows, and stills and serial keep 1000.
* The writer refuses a stream whose start message declares a different pixel format than its images carry, and a DECTRIS detector sending signed images is no longer declared unsigned.
* The image stream can carry the sample transformation chain (`transformations`, in the END message); a producer that does not send it gets the same chain built by the writer.
* rugnux: fixing the space group with `-S` no longer prevents the lattice from being found - a lattice indexed in a different setting is reindexed into that group's own setting, and a run whose crystal does not have that group's lattice stops and names the cell it indexed as, rather than reporting statistics that cannot describe it.
* rugnux: the per-image resolution estimate now predicts the resolution the merged data reach rather than the highest-resolution spot found, and is reported as `SPOT_RESOLUTION_ESTIMATE`.
* rugnux: two runs of the same command on the same images produce the same merged intensities; the azimuthal profile written alongside them is not yet reproducible in the same way.
* rugnux: the offline lattice refinement is bounded by iterations rather than by a wall clock, so a loaded machine can no longer refine to a different lattice; a live acquisition keeps its real-time bound.
* rugnux: the detector-frame modulation correction is fitted on a grid spanning the detector, so whether it is applied no longer depends on how far integration reached.
* rugnux: the geometry pre-pass no longer writes `<prefix>_01.mtz`, `_01.cif`, `_01.hkl` and `_01_image.dat`; the refined second pass writes those files under `<prefix>`, and that is the result to use.
* rugnux: `_process.h5` describes the pixel format of the images it links to, and is written on a thread of its own.
* rugnux: the detector geometry is also logged in XDS's convention (`ORGX`/`ORGY`, detector axis vectors, rotation axis), so it can be compared with an XDS refinement.
* rugnux: an image integrated in pyFAI through the `.poni` file written by `--mode calibration` comes out with the correct azimuth, and the file declares pyFAI's `orientation`, which needs pyFAI 2024.01 or newer. Radial integration is unchanged.
* rugnux: a rotation run is substantially faster throughout - beam-stop detection, first-pass indexing, geometry refinement, integration, scaling and merging - and observations outside the scaling resolution range are dropped as they are ingested. The refined geometry, the space group chosen and the merged statistics are unchanged.
* Faster spot finding and indexing, on the broker as well as in rugnux; the spots found and the lattices indexed are unchanged.
* A run reserves substantially less GPU memory: nothing is allocated for buffers that are never read, and a worker builds only the engines it uses.
* rugnux: with `-N` left at its default the per-image loop of `--mode mx` uses at most 16 workers per GPU, rather than one per hardware thread; an explicit `-N` is obeyed as given.
* CUDA 12 builds now contain device code for Volta, so the RHEL 8 packages and the portable Linux `.tgz` run on a V100; the CUDA 13 artefacts (RHEL 9, Ubuntu, Windows) remain Turing and newer.
* The build resolves a single Eigen for the whole project, and refuses to configure if Ceres picks up a different one; a build that mixed two Eigen versions was undefined behaviour and crashed at -O2.
* Documentation: a security page, and the supported GPU generations and minimum NVIDIA driver version of every released artefact.

**Breaking change to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.162, `frontend/src/client`):
* `dataset_settings.images_per_file` is no longer `default: 1000` and no longer accepts `0`; it is optional, and its minimum is 1. A client sending `0` (previously "one file for the whole run") is now rejected - omit the field instead, which for a rotation sweep gives the same single file.
* `file_writer_format` now defaults to `NXmxVDS`, matching the server's own default and the layout recommended for DIALS, XDS and CrystFEL. A generated client that fills in schema defaults and does not set the format explicitly will write VDS masters where it previously wrote legacy ones; set `NXmxLegacy` explicitly to keep them.

---------

Co-authored-by: jungfrau <jungfrau@mx-aare-test.psi.ch>
Reviewed-on: #72
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-08-25 08:21:39 +02:00

113 lines
4.7 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <bit>
#include "../../common/JFJochException.h"
#include "ImageSpotFinder.h"
#include "StrongPixelSet.h"
ImageSpotFinder::ImageSpotFinder(int32_t width, int32_t height, bool host_bit_buffer)
: width(width),
height(height),
output_buffer(host_bit_buffer ? width * height / 32 + 1 : 0),
res_mask_bits(OutputSize(), 0) {
// Exclude the padding bits of the last word up front, so neither the host scan nor the GPU
// compaction needs a separate "is this bit still inside the image?" test.
const size_t npixel = static_cast<size_t>(width) * height;
if (npixel % 32 != 0)
res_mask_bits.back() = ~((1u << (npixel % 32)) - 1u);
}
size_t ImageSpotFinder::OutputSize() const {
return (width * height) / 32 + ((width * height % 32 != 0) ? 1 : 0);
}
size_t ImageSpotFinder::OutputByteSize() const {
return OutputSize() * sizeof(uint32_t);
}
void ImageSpotFinder::SetResolutionMask(const std::vector<bool> &mask) {
const size_t npixel = static_cast<size_t>(width) * height;
if (mask.size() != npixel)
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"ImageSpotFinder::SetResolutionMask: mask size mismatch");
std::vector<uint32_t> packed(OutputSize(), 0);
for (size_t i = 0; i < npixel; i++)
if (mask[i])
packed[i / 32] |= 1u << (i % 32);
SetResolutionMaskBits(packed);
}
void ImageSpotFinder::SetResolutionMaskBits(const std::vector<uint32_t> &packed_mask) {
if (packed_mask.size() != OutputSize())
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
"ImageSpotFinder::SetResolutionMaskBits: mask size mismatch");
res_mask_bits = packed_mask;
const size_t npixel = static_cast<size_t>(width) * height;
if (npixel % 32 != 0)
res_mask_bits.back() |= ~((1u << (npixel % 32)) - 1u);
}
const std::vector<float> &ImageSpotFinder::GetRingBackground() const {
static const std::vector<float> none;
return none;
}
void ImageSpotFinder::ExtractComponentsHost(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings) {
// Collect the strong pixels first and read their values afterwards, instead of reading the image
// pixel by pixel: on the GPU that read is a device gather, which is what lets the preprocessed
// image stay on the device instead of being copied back in full for every frame.
strong_pixel.clear();
for (size_t i = 0; i < OutputSize(); i++) {
// The resolution mask is packed like the bit buffer, so a whole word of it is excluded at
// once instead of testing 32 bits one at a time.
uint32_t word = output_buffer[i] & ~res_mask_bits[i];
while (word != 0) {
strong_pixel.push_back(static_cast<uint32_t>(i * 32 + std::countr_zero(word)));
word &= word - 1;
}
}
components.clear();
// The connected-component search rejects a frame with this many strong pixels, so their values are
// of no use.
if (strong_pixel.size() >= UINT16_MAX)
return;
image.Gather(strong_pixel, strong_pixel_value);
StrongPixelSet pixel_set;
for (size_t i = 0; i < strong_pixel.size(); i++)
pixel_set.AddStrongPixel(strong_pixel[i] % width, strong_pixel[i] / width, strong_pixel_value[i]);
pixel_set.FindComponentsImage(settings, components);
}
const std::vector<DiffractionSpot> &ImageSpotFinder::ExtractComponents(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings) {
ExtractComponentsHost(image, settings);
return components;
}
std::vector<DiffractionSpot> ImageSpotFinder::Filter(const std::vector<DiffractionSpot> &in,
const SpotFindingSettings &settings) {
std::vector<DiffractionSpot> out;
const int64_t min_pix = settings.min_pix_per_spot.value_or(2);
for (const auto &spot: in)
if (spot.PixelCount() >= min_pix)
out.push_back(spot);
return out;
}
std::vector<DiffractionSpot> ImageSpotFinder::ExtractSpots(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings) {
return Filter(ExtractComponents(image, settings), settings);
}
std::vector<DiffractionSpot> ImageSpotFinder::Run(const ImagePreprocessorBuffer &image,
const SpotFindingSettings &settings) {
Detect(image, settings);
return ExtractSpots(image, settings);
}