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**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>
160 lines
6.0 KiB
C++
160 lines
6.0 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "HDF5ImageSource.h"
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#include "../common/JFJochException.h"
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#ifdef _WIN32
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#include <windows.h>
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#else
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#include <fcntl.h>
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#include <unistd.h>
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#endif
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// Positional reads: pread() on POSIX, ReadFile() with an OVERLAPPED offset on Windows. Both take the
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// offset as an argument instead of moving a shared file position, which is what lets every worker
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// thread read through one handle at the same time.
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HDF5ImageSource::RawFile::RawFile(const std::string &path) {
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#ifdef _WIN32
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HANDLE h = CreateFileA(path.c_str(), GENERIC_READ, FILE_SHARE_READ | FILE_SHARE_WRITE, nullptr,
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OPEN_EXISTING, FILE_ATTRIBUTE_NORMAL, nullptr);
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handle_ = (h == INVALID_HANDLE_VALUE) ? -1 : reinterpret_cast<intptr_t>(h);
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#else
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handle_ = ::open(path.c_str(), O_RDONLY);
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#endif
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}
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HDF5ImageSource::RawFile::~RawFile() {
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if (handle_ == -1)
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return;
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#ifdef _WIN32
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CloseHandle(reinterpret_cast<HANDLE>(handle_));
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#else
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::close(static_cast<int>(handle_));
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#endif
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}
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void HDF5ImageSource::RawFile::ReadAt(void *dst, size_t size, uint64_t address) const {
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auto *out = static_cast<uint8_t *>(dst);
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size_t done = 0;
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while (done < size) {
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#ifdef _WIN32
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OVERLAPPED ov{};
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ov.Offset = static_cast<DWORD>((address + done) & 0xFFFFFFFFULL);
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ov.OffsetHigh = static_cast<DWORD>((address + done) >> 32);
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DWORD got = 0;
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const bool ok = ReadFile(reinterpret_cast<HANDLE>(handle_), out + done,
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static_cast<DWORD>(size - done), &got, &ov);
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const long long n = ok ? static_cast<long long>(got) : -1;
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#else
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const long long n = ::pread(static_cast<int>(handle_), out + done, size - done, address + done);
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#endif
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if (n <= 0)
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throw JFJochException(JFJochExceptionCategory::HDF5, "Error reading image chunk from file");
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done += static_cast<size_t>(n);
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}
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}
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void HDF5ImageSource::Configure(HDF5ImageLocator::Layout layout) {
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dataset_cache_.clear();
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locator_.Configure(std::move(layout));
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}
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void HDF5ImageSource::Clear() {
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dataset_cache_.clear();
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locator_.Clear();
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}
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HDF5ImageLocator::Location HDF5ImageSource::Resolve(int64_t global) const {
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return locator_.Resolve(global);
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}
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StoredPixelFormat HDF5ImageSource::GetStoredPixelFormat() const {
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auto loc = locator_.Resolve(0);
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HDF5DataSet dataset(*loc.file, "/entry/data/data");
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HDF5DataType datatype(dataset);
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return {static_cast<int64_t>(datatype.GetElemSize()) * 8, datatype.IsSigned()};
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}
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std::vector<HDF5DataSourceMessage> HDF5ImageSource::GetSourceMapping(uint64_t first_image,
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std::optional<uint64_t> image_count,
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uint64_t total_images,
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uint64_t stride) const {
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return locator_.GetSourceMapping(first_image, image_count, total_images, stride);
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}
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const HDF5ImageSource::OpenDataset &
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HDF5ImageSource::GetDataset(const HDF5ImageLocator::Location &loc) const {
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if (auto it = dataset_cache_.find(loc.file.get()); it != dataset_cache_.end())
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return it->second;
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OpenDataset entry;
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entry.file = loc.file;
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entry.dataset = std::make_unique<HDF5DataSet>(*loc.file, "/entry/data/data");
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HDF5DataSpace dataspace(*entry.dataset);
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HDF5DataType datatype(*entry.dataset);
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HDF5Dcpl dcpl(*entry.dataset);
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if (dataspace.GetNumOfDimensions() != 3)
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"/entry/data/data dataset must be 3D");
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if (datatype.IsFloat())
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throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
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"Float datasets not supported at this time");
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auto dim = dataspace.GetDimensions();
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entry.height = dim[1];
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entry.width = dim[2];
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entry.mode = CalcImageMode(datatype.GetElemSize(), datatype.IsFloat(), datatype.IsSigned());
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auto chunk_size = dcpl.GetChunking();
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entry.direct_chunk = (chunk_size.size() == 3) && (chunk_size[0] == 1)
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&& (chunk_size[1] == dim[1]) && (chunk_size[2] == dim[2]);
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if (entry.direct_chunk)
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entry.algorithm = dcpl.GetCompression();
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if (entry.direct_chunk && !loc.path.empty()) {
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entry.raw = std::make_shared<RawFile>(loc.path);
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if (!entry.raw->IsOpen())
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entry.raw.reset();
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hid_t fcpl = H5Fget_create_plist(loc.file->GetID());
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if (fcpl >= 0) {
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hsize_t user_block = 0;
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if (H5Pget_userblock(fcpl, &user_block) >= 0)
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entry.user_block = user_block;
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H5Pclose(fcpl);
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}
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}
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return dataset_cache_.emplace(loc.file.get(), std::move(entry)).first->second;
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}
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std::optional<HDF5ImageSource::DirectChunk>
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HDF5ImageSource::PrepareDirectRead(const HDF5ImageLocator::Location &loc) const {
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const auto &ds = GetDataset(loc);
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if (!ds.raw)
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return {};
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const hsize_t coord[3] = {static_cast<hsize_t>(loc.local_index), 0, 0};
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unsigned filter_mask = 0;
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haddr_t address = HADDR_UNDEF;
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hsize_t size = 0;
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if (H5Dget_chunk_info_by_coord(ds.dataset->GetID(), coord, &filter_mask, &address, &size) < 0)
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return {};
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// A chunk nobody ever wrote has no address and no bytes; only HDF5 knows it reads as the fill
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// value, so hand those back to it.
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if (address == HADDR_UNDEF || size == 0)
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return {};
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return DirectChunk{ds.raw, ds.user_block + address, static_cast<uint32_t>(size),
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ds.width, ds.height, ds.mode, ds.algorithm};
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}
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CompressedImage HDF5ImageSource::ReadDirect(RawByteBuffer &buffer, const DirectChunk &chunk) {
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buffer.resize(chunk.size);
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chunk.file->ReadAt(buffer.data(), chunk.size, chunk.address);
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return {buffer.data(), buffer.size(), chunk.width, chunk.height, chunk.mode, chunk.algorithm};
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}
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