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This is an UNSTABLE release. This version significantly rewrites code to predict reflection position and integrate them, especially in case of rotation crystallography. If things go wrong with analysis, it is better to revert to 1.0.0-rc.123. * jfjoch_broker: Improve refection position prediction and Bragg integration code. * jfjoch_broker: Align with XDS way of calculating Lorentz correction and general notation. * jfjoch_writer: Fix saving mosaicity properly in HDF5 file. * jfjoch_viewer: Introduce high-dynamic range mode for images * jfjoch_viewer: Ctrl+mouse wheel has exponential change in foreground (+/-15%) * jfjoch_viewer: Zoom-in numbers have better readability Reviewed-on: #31 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch> Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
412 lines
15 KiB
C++
412 lines
15 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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#ifndef DIFFRACTIONEXPERIMENT_H
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#define DIFFRACTIONEXPERIMENT_H
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#include <chrono>
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#include <exception>
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#include <optional>
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#include "../compression/CompressionAlgorithmEnum.h"
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#include "UnitCell.h"
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#include "Coord.h"
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#include "Definitions.h"
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#include "JFJochMessages.h"
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#include "DetectorSetup.h"
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#include "../image_analysis/spot_finding/SpotFindingSettings.h"
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#include "DatasetSettings.h"
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#include "ROIMap.h"
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#include "InstrumentMetadata.h"
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#include "ImageFormatSettings.h"
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#include "DetectorSettings.h"
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#include "AzimuthalIntegrationSettings.h"
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#include "FileWriterSettings.h"
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#include "DiffractionGeometry.h"
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#include "CompressedImage.h"
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#include "IndexingSettings.h"
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#include "BraggIntegrationSettings.h"
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#include "../symmetry/gemmi/symmetry.hpp"
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enum class DetectorMode {
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Standard, PedestalG0, PedestalG1, PedestalG2, DarkMask
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};
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struct AcquisitionDeviceNetConfig {
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std::string mac_addr;
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std::string ipv4_addr;
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uint64_t udp_port;
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};
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struct DetectorModuleConfig {
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uint64_t udp_dest_port_1;
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uint64_t udp_dest_port_2;
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std::string ipv4_src_addr_1;
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std::string ipv4_src_addr_2;
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std::string ipv4_dest_addr_1;
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std::string ipv4_dest_addr_2;
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std::string mac_addr_dest_1;
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std::string mac_addr_dest_2;
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uint32_t module_id_in_data_stream;
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uint32_t data_stream;
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};
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class DiffractionExperiment {
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int64_t ndatastreams;
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std::optional<std::chrono::microseconds> zmq_preview_period = std::chrono::seconds(1);
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DetectorMode mode;
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uint64_t series_id;
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// Dataset settings
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DatasetSettings dataset;
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InstrumentMetadata instrument;
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ImageFormatSettings image_format_settings;
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DetectorSettings detector_settings;
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AzimuthalIntegrationSettings az_integration_settings;
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DetectorSetup detector;
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FileWriterSettings file_writer;
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IndexingSettings indexing;
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BraggIntegrationSettings bragg_integration_settings;
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DarkMaskSettings dark_mask_settings;
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ROIMap roi_mask;
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int64_t summation;
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bool cpu_summation;
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std::string detector_update_zmq_addr;
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public:
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// Public methods are atomic
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DiffractionExperiment();
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DiffractionExperiment(const DetectorSetup& geom);
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// Methods below can be chained together
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DiffractionExperiment& Detector(const DetectorSetup& input);
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DiffractionExperiment& Mode(DetectorMode input);
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DiffractionExperiment& DataStreams(int64_t input);
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DiffractionExperiment& PedestalG0Frames(int64_t input);
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DiffractionExperiment& PedestalG1Frames(int64_t input);
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DiffractionExperiment& PedestalG2Frames(int64_t input);
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DiffractionExperiment& FrameTime(std::chrono::microseconds frame_time,
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std::chrono::microseconds in_count_time = std::chrono::microseconds(0));
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DiffractionExperiment& ZMQPreviewPeriod(const std::optional<std::chrono::microseconds> &input);
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DiffractionExperiment& UseInternalPacketGenerator(bool input);
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DiffractionExperiment& InternalPacketGeneratorImages(int64_t input);
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DiffractionExperiment& MaskModuleEdges(bool input);
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DiffractionExperiment& MaskChipEdges(bool input);
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DiffractionExperiment& QRangeForAzimInt_recipA(float low, float high);
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DiffractionExperiment& BkgEstimateQRange_recipA(float low, float high);
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DiffractionExperiment& QSpacingForAzimInt_recipA(float input);
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DiffractionExperiment& StorageCells(int64_t input);
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DiffractionExperiment& StorageCellStart(int64_t input = 15);
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DiffractionExperiment& UsingGainHG0(bool input);
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DiffractionExperiment& FixedGainG1(bool input);
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DiffractionExperiment& IncrementRunNumber();
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DiffractionExperiment& JungfrauConvPhotonCnt(bool input);
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DiffractionExperiment& PulsedSource(bool input);
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DiffractionExperiment& ImagesPerTrigger(int64_t input);
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DiffractionExperiment& NumTriggers(int64_t triggers);
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DiffractionExperiment& IncidentEnergy_keV(float input);
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DiffractionExperiment& BeamX_pxl(float input);
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DiffractionExperiment& BeamY_pxl(float input);
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DiffractionExperiment& DetectorDistance_mm(float input);
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DiffractionExperiment& FilePrefix(std::string input);
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DiffractionExperiment& Compression(CompressionAlgorithm input);
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DiffractionExperiment& SetUnitCell(const std::optional<UnitCell> &cell);
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DiffractionExperiment& SpaceGroupNumber(std::optional<int64_t> input);
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DiffractionExperiment& SampleName(const std::string &input);
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DiffractionExperiment& AttenuatorTransmission(const std::optional<float> &input);
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DiffractionExperiment& TotalFlux(const std::optional<float> &input);
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DiffractionExperiment& Goniometer(const std::optional<GoniometerAxis> &input);
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DiffractionExperiment& HeaderAppendix(const nlohmann::json& input);
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DiffractionExperiment& ImageAppendix(const nlohmann::json& input);
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DiffractionExperiment& Summation(int64_t input);
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DiffractionExperiment& MaxSpotCount(int64_t input);
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DiffractionExperiment& ImagesPerFile(int64_t input);
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DiffractionExperiment& LossyCompressionSerialMX(float input);
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DiffractionExperiment& LossyCompressionPoisson(const std::optional<int64_t> &input);
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DiffractionExperiment& SaveCalibration(const std::optional<bool> &input);
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DiffractionExperiment& ImportDatasetSettings(const DatasetSettings& input);
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DiffractionExperiment& EigerBitDepth(const std::optional<int64_t> &input);
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DiffractionExperiment& ImportInstrumentMetadata(const InstrumentMetadata& input);
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DiffractionExperiment& ApplyPixelMask(bool input);
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DiffractionExperiment& ElectronSource(bool input);
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DiffractionExperiment& OverwriteExistingFiles(bool input);
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DiffractionExperiment& SetFileWriterFormat(FileWriterFormat input);
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DiffractionExperiment& IndexingAlgorithm(IndexingAlgorithmEnum input);
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DiffractionExperiment& GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum input);
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DiffractionExperiment& IndexingTolerance(float input);
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DiffractionExperiment& GridScan(const std::optional<GridScanSettings>& input);
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DiffractionExperiment& RingCurrent_mA(const std::optional<float>& input);
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DiffractionExperiment& SampleTemperature_K(const std::optional<float> &input);
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DiffractionExperiment& PoniRot1_rad(float input);
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DiffractionExperiment& PoniRot2_rad(float input);
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DiffractionExperiment& PoniRot3_rad(float input);
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DiffractionExperiment& FluorescenceSpectrum(const XrayFluorescenceSpectrum& input);
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DiffractionExperiment& DetectIceRings(bool input);
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IndexingSettings GetIndexingSettings() const;
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DiffractionExperiment& ImportIndexingSettings(const IndexingSettings &input);
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InstrumentMetadata GetInstrumentMetadata() const;
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DiffractionExperiment& ImportImageFormatSettings(const ImageFormatSettings& input);
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ImageFormatSettings GetImageFormatSettings() const;
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DiffractionExperiment& ImportDetectorSettings(const DetectorSettings& input);
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DetectorSettings GetDetectorSettings() const;
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DiffractionExperiment& ImportAzimuthalIntegrationSettings(const AzimuthalIntegrationSettings& input);
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AzimuthalIntegrationSettings GetAzimuthalIntegrationSettings() const;
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DiffractionExperiment& ImportBraggIntegrationSettings(const BraggIntegrationSettings& input);
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BraggIntegrationSettings GetBraggIntegrationSettings() const;
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DiffractionExperiment& ImportFileWriterSettings(const FileWriterSettings& input);
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FileWriterSettings GetFileWriterSettings() const;
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DiffractionExperiment &ImportDarkMaskSettings(const DarkMaskSettings &input);
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DarkMaskSettings GetDarkMaskSettings() const;
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DatasetSettings GetDatasetSettings() const;
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void FillMessage(StartMessage &message) const;
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static void CheckDataProcessingSettings(const SpotFindingSettings& settings);
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static SpotFindingSettings DefaultDataProcessingSettings();
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DetectorMode GetDetectorMode() const;
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int64_t GetBitDepthReadout() const; // 12 bit is OK :)
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int64_t GetSaturationLimit() const;
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int64_t GetOverflow() const;
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int64_t GetUnderflow() const;
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int64_t GetPedestalG0Frames() const;
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int64_t GetPedestalG1Frames() const;
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int64_t GetPedestalG2Frames() const;
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int64_t GetImageNum() const;
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int64_t GetFrameNum() const;
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int64_t GetFrameNumPerTrigger() const;
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std::chrono::microseconds GetFrameTime() const;
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std::chrono::microseconds GetDetectorPeriod() const;
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std::chrono::microseconds GetImageTime() const;
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std::chrono::microseconds GetImageCountTime() const;
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std::chrono::microseconds GetFrameCountTime() const;
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bool GetFrameCountTimeAuto() const;
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DiffractionExperiment& StorageCellDelay(std::chrono::nanoseconds input);
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std::chrono::nanoseconds GetStorageCellDelay() const;
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DiffractionExperiment& DetectorDelay(std::chrono::nanoseconds input);
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std::chrono::nanoseconds GetDetectorDelay() const;
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int64_t GetMaxCompressedSize() const;
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int64_t GetImageBufferLocationSize() const;
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int64_t GetDataStreamsNum() const;
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int64_t GetModulesNum(uint16_t data_stream) const;
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int64_t GetModulesNum() const;
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int64_t GetFirstModuleOfDataStream(uint16_t data_stream) const;
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int64_t GetPixelsNum() const;
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int64_t GetYPixelsNum() const;
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int64_t GetXPixelsNum() const;
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int64_t GetPixelsNumConv() const; // This is actual / converted number
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int64_t GetYPixelsNumConv() const;
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int64_t GetXPixelsNumConv() const;
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int64_t GetPixel0OfModuleConv(uint16_t module_number) const;
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int64_t GetModuleFastDirectionStep(uint16_t module_number) const;
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int64_t GetModuleSlowDirectionStep(uint16_t module_number) const;
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Coord GetModuleFastDirection(uint16_t module_number) const;
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Coord GetModuleSlowDirection(uint16_t module_number) const;
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std::optional<std::chrono::microseconds> GetZMQPreviewPeriod() const;
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int64_t GetDefaultPlotBinning() const;
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bool IsUsingInternalPacketGen() const;
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int64_t GetInternalPacketGeneratorImages() const;
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uint32_t GetSrcIPv4Address(uint32_t data_stream, uint32_t half_module) const;
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bool GetMaskModuleEdges() const;
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bool GetMaskChipEdges() const;
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float GetLowQForAzimInt_recipA() const;
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float GetHighQForAzimInt_recipA() const;
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float GetQSpacingForAzimInt_recipA() const;
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float GetLowQForBkgEstimate_recipA() const;
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float GetHighQForBkgEstimate_recipA() const;
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int64_t GetStorageCellNumber() const;
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int64_t GetStorageCellStart() const;
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int64_t GetMaxSpotCount() const;
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float GetPixelSize_mm() const;
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std::string GetSourceName() const;
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std::string GetSourceType() const;
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std::string GetInstrumentName() const;
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std::string GetDetectorDescription() const;
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std::vector<std::string> GetDetectorModuleHostname() const;
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DiffractionExperiment& ApplySolidAngleCorr(bool input);
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DiffractionExperiment& PolarizationFactor(const std::optional<float> &input);
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bool GetApplySolidAngleCorr() const;
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std::optional<float> GetPolarizationFactor() const;
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int64_t GetUDPInterfaceCount() const;
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std::vector<DetectorModuleConfig> GetDetectorModuleConfig(const std::vector<AcquisitionDeviceNetConfig>& net_config) const;
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bool IsFixedGainG1() const;
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bool IsUsingGainHG0() const;
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uint64_t GetRunNumber() const;
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std::string GetRunName() const;
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bool IsJungfrauConvPhotonCnt() const;
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const DetectorSetup& GetDetectorSetup() const;
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DetectorSetup& Detector();
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bool IsPulsedSource() const;
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bool IsElectronSource() const;
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bool IsSpotFindingEnabled() const;
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float GetPhotonEnergyForConversion_keV() const;
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std::optional<float> GetAttenuatorTransmission() const;
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std::optional<float> GetTotalFlux() const;
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std::optional<GoniometerAxis> GetGoniometer() const;
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std::optional<GridScanSettings> GetGridScan() const;
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const nlohmann::json& GetHeaderAppendix() const;
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const nlohmann::json& GetImageAppendix() const;
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std::optional<UnitCell> GetUnitCell() const;
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std::string GetUnitCellString() const;
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std::optional<int64_t> GetSpaceGroupNumber() const;
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bool GetSaveCalibration() const;
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int64_t GetSummation() const;
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int64_t GetFPGASummation() const;
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std::string GetSampleName() const;
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float GetIncidentEnergy_keV() const;
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float GetWavelength_A() const;
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float GetBeamX_pxl() const;
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float GetBeamY_pxl() const;
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float GetDetectorDistance_mm() const;
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Coord GetScatteringVector() const;
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std::string GetFilePrefix() const;
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CompressionAlgorithm GetCompressionAlgorithm() const;
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int64_t GetNumTriggers() const;
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ROIMap& ROI();
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const ROIMap& ROI() const;
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std::vector<uint16_t> ExportROIMap() const;
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int64_t GetImagesPerFile() const;
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float GetLossyCompressionSerialMX() const;
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std::optional<int64_t> GetLossyCompressionPoisson() const;
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std::string GetExperimentGroup() const;
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std::optional<int64_t> GetPixelValueLowThreshold() const;
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DiffractionExperiment &PixelValueLowThreshold(const std::optional<int64_t>& input);
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std::optional<int64_t> GetPixelValueHighThreshold() const;
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DiffractionExperiment &PixelValueHighThreshold(const std::optional<int64_t>& input);
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DiffractionExperiment& BitDepthImage(const std::optional<int64_t> &input);
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DiffractionExperiment& PixelSigned(const std::optional<bool> &input);
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bool IsGeometryTransformed() const;
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DiffractionExperiment& GeometryTransformation(bool input);
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int64_t GetImageFillValue() const;
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DiffractionExperiment& JungfrauConversionFactor_keV(const std::optional<float> &input);
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std::optional<float> GetJungfrauConversionFactor_keV() const;
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DiffractionExperiment& AutoSummation(bool input);
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bool GetAutoSummation() const;
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int64_t GetByteDepthImage() const;
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int64_t GetByteDepthFPGA() const;
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bool IsPixelSigned() const;
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bool IsPedestalRun() const;
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DiffractionExperiment &Raw();
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DiffractionExperiment &Conversion();
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float GetPedestalG0RMSLimit() const;
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uint32_t GetPedestalMinImageCount() const;
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float GetEigerThreshold_keV() const;
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int64_t GetEigerBitDepth() const;
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DetectorTiming GetDetectorTiming() const;
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bool IsDetectorModuleSync() const;
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[[nodiscard]] DetectorType GetDetectorType() const;
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[[nodiscard]] bool IsMaskPixelsWithoutG0() const;
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[[nodiscard]] bool IsApplyPixelMask() const;
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DiffractionExperiment& CPUSummation(bool input);
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[[nodiscard]] bool IsCPUSummation() const;
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[[nodiscard]] FileWriterFormat GetFileWriterFormat() const;
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DiffractionGeometry GetDiffractionGeometry() const;
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void CalcAzIntCorrRawCoord(float *output, size_t module_number) const;
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void CalcSpotFinderResolutionMap(float *data, size_t module_number) const;
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CompressedImageMode GetImageMode() const;
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IndexingAlgorithmEnum GetIndexingAlgorithm() const;
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GeomRefinementAlgorithmEnum GetGeomRefinementAlgorithm() const;
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float GetIndexingTolerance() const;
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std::optional<float> GetSampleTemperature_K() const;
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std::optional<float> GetRingCurrent_mA() const;
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float GetPoniRot1_rad() const;
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float GetPoniRot2_rad() const;
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float GetPoniRot3_rad() const;
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std::optional<gemmi::SpaceGroup> GetGemmiSpaceGroup() const;
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gemmi::CrystalSystem GetCrystalSystem() const;
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std::string GetSpaceGroupName() const;
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char GetCentering() const;
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const XrayFluorescenceSpectrum &GetFluorescenceSpectrum() const;
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bool IsDetectIceRings() const;
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int64_t GetDarkMaskNumberOfFrames() const;
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bool IsRotationIndexing() const;
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};
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#endif //DIFFRACTIONEXPERIMENT_H
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