leonarski_f
d6389e12da
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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. * jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output. * jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling. * Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool. * jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection. * jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata. * CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
71 lines
2.3 KiB
C++
71 lines
2.3 KiB
C++
// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include "HDF5DataFilePlugin.h"
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#include "../common/AutoIncrVector.h"
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class HDF5DataFilePluginMX : public HDF5DataFilePlugin {
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const size_t max_spots;
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const size_t max_extra_lattices;
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const bool indexing;
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// spots
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std::vector<float> spot_x;
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std::vector<float> spot_y;
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std::vector<float> spot_int;
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std::vector<int8_t> spot_indexed;
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std::vector<int8_t> spot_ice_ring;
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std::vector<int8_t> spot_lattice;
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std::vector<int32_t> spot_h;
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std::vector<int32_t> spot_k;
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std::vector<int32_t> spot_l;
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std::vector<float> spot_dist_ewald;
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AutoIncrVector<float> beam_corr_x{NAN};
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AutoIncrVector<float> beam_corr_y{NAN};
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AutoIncrVector<uint32_t> npeaks;
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AutoIncrVector<uint32_t> strong_pixel_count;
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AutoIncrVector<uint32_t> spot_count_total;
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AutoIncrVector<uint32_t> spot_count_ice;
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AutoIncrVector<uint32_t> spot_count_indexed;
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AutoIncrVector<uint32_t> spot_count_low_res;
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// indexing
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AutoIncrVector<uint8_t> indexed;
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AutoIncrVector<uint32_t> indexing_lattice_count;
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std::vector<float> indexed_lattice;
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std::vector<float> extra_lattices; // [nimages, max_extra_lattices, 9], NaN-filled
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// crystal
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AutoIncrVector<float> profile_radius{NAN};
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AutoIncrVector<float> mosaicity_deg{NAN};
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AutoIncrVector<float> b_factor{NAN};
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// bkg_estimate
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AutoIncrVector<float> bkg_estimate{NAN};
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AutoIncrVector<float> ice_ring_score{NAN};
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// resolution_estimation
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AutoIncrVector<float> resolution_estimate{NAN};
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AutoIncrVector<uint32_t> niggli_class;
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AutoIncrVector<std::string> bravais_lattice;
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AutoIncrVector<int64_t> integrated_reflections;
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// scaling
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bool image_scale_present = false;
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AutoIncrVector<float> image_scale_factor{NAN};
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AutoIncrVector<float> image_scale_cc{NAN};
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AutoIncrVector<float> image_scale_mosaicity{NAN};
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AutoIncrVector<float> image_scale_b_factor{NAN};
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public:
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explicit HDF5DataFilePluginMX(const StartMessage& msg);
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void OpenFile(HDF5File &data_file, const DataMessage& msg, size_t images_per_file) override;
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void Write(const DataMessage& msg, uint64_t image_number) override;
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void WriteFinal(HDF5File &data_file) override;
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};
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