// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute // SPDX-License-Identifier: GPL-3.0-only #pragma once #include "../fpga/pcie_driver/jfjoch_fpga.h" #include #include #include #include #include constexpr float WVL_1A_IN_KEV = 12.39854f; constexpr size_t CONVERTED_MODULE_LINES = 514; constexpr size_t CONVERTED_MODULE_COLS = 1030; constexpr size_t CONVERTED_MODULE_SIZE = CONVERTED_MODULE_LINES * CONVERTED_MODULE_COLS; constexpr size_t JUNGFRAU_PACKET_SIZE_BYTES = 8192; constexpr int MAX_IMAGE_NUMBER = 2*1024*1024; // Defaults for images_per_file when the acquisition does not ask for a particular number; see // DiffractionExperiment::GetImagesPerFile. constexpr int64_t DEFAULT_IMAGES_PER_FILE = 1000; // Above this, a rotation sweep is split rather than written to one file. constexpr int64_t ROTATION_SINGLE_FILE_IMAGE_LIMIT = 20000; constexpr std::chrono::nanoseconds MIN_COUNT_TIME = std::chrono::microseconds(3); constexpr std::chrono::nanoseconds MIN_STORAGE_CELL_DELAY = std::chrono::nanoseconds(2100); constexpr std::chrono::nanoseconds MIN_FRAME_TIME_JUNGFRAU_HALF_SPEED = std::chrono::microseconds(1000); constexpr std::chrono::nanoseconds MIN_FRAME_TIME_JUNGFRAU_FULL_SPEED = std::chrono::microseconds(470); constexpr std::chrono::nanoseconds MIN_FRAME_TIME_EIGER = std::chrono::microseconds(250); constexpr std::chrono::nanoseconds MAX_COUNT_TIME_JUNGFRAU = std::chrono::microseconds(2000); constexpr std::chrono::nanoseconds FRAME_TIME_PEDE_G1G2 = std::chrono::microseconds(10*1000); constexpr std::chrono::nanoseconds PSI_JUNGFRAU_READOUT_TIME = std::chrono::microseconds(20); constexpr std::chrono::nanoseconds PSI_EIGER_READOUT_TIME = std::chrono::microseconds(20); constexpr std::chrono::nanoseconds DARK_MASK_FRAME_TIME = std::chrono::milliseconds(10); constexpr float MIN_ENERGY_KEV = 0.001; constexpr float MAX_ENERGY_KEV = 500.0; constexpr float DEFAULT_G0_FACTOR = 41.0f; constexpr float DEFAULT_G1_FACTOR = -1.439f; constexpr float DEFAULT_G2_FACTOR = -0.1145f; constexpr float DEFAULT_HG0_FACTOR = 100.0f; constexpr int MAX_SPOT_COUNT = 64 * 1024; constexpr uint32_t MASK_PEDESTAL_G0_RMS_LIMIT = (1U<<4); constexpr size_t PEDESTAL_MIN_IMAGE_COUNT = 128; constexpr uint16_t PEDESTAL_WRONG = (UINT16_MAX); constexpr size_t PEDESTAL_G0_WRONG_GAIN_ALLOWED_COUNT = 2; constexpr size_t MESSAGE_SIZE_FOR_START_END = (256*1024*1024); // pessimistic highest value constexpr float LAB6_CELL_A = 4.156468f; // Hexagonal-ice ring positions. The first eleven are the measured ones from: // Moreau, Atakisi, Thorne, Acta Cryst D77, 2021, 540,554 // https://journals.iucr.org/d/issues/2021/04/00/tz5104/index.html // That paper's Table 1 stops at 1.522 A because it says so in its own words - "pure hexagonal ice has // 11 diffraction rings between 4 and 1.5 A resolution" - and its subject was detecting ice in the PDB, // not masking it. Ice does not stop there, and on a detector that reaches past 1.5 A the rings it does // not list are the ones left in the data: one strongly diffracting set had 44% of every frame's spots // in ice bands, and beyond 1.5 A its spots were ice and nothing else. // // The rest are calculated, because past that paper there is nothing measured to copy. Ice Ih is // P6_3/mmc with O on 4f, so enumerating hkl is not enough - most of what it emits is extinguished by // the oxygen sublattice rather than by the space group, which is why (004) at 1.830 A and (104) at // 1.657 A are absent from the measured list although they lie inside its range and its reflection // conditions allow them. Structure factors were computed instead (oxygen only - the hydrogens are // half-occupancy disordered and scatter X-rays weakly) and the lines kept are those reaching 3% of the // strongest. That reproduces the measured eleven exactly, and every line it drops in their range // computes to zero, which is what makes the same rule trustworthy below 1.522 A. // Following Roettger, Endriss, Ihringer, Doyle & Kuhs (1994) Acta Cryst. B50, 644-648 for the cell. // // It stops at 1.170 A: below that the calculated real lines fall to 2-3% while the extinct ones rise // to about 1%, and an oxygen-only calculation cannot separate them honestly any further. constexpr std::array ICE_RING_RES_A = {3.895, 3.661, 3.438, 2.667, 2.249, 2.068, 1.947, 1.916, 1.882, 1.719, 1.522, 1.472, 1.443, 1.371, 1.366, 1.298, 1.261, 1.224, 1.170}; // True when resolution d (Angstrom) sits within half_width of a hexagonal-ice powder ring, in the // q = 2*pi/d units the spot-finder uses (ice_ring_width_Q_recipA). Used to drop ice-contaminated // reflections from scaling/merging when ice-ring handling is enabled. inline bool IsOnIceRing(float d_A, float half_width_q_recipA) { if (!(d_A > 0.0f)) return false; constexpr float two_pi = 6.283185307f; const float q = two_pi / d_A; for (const float ice_d : ICE_RING_RES_A) if (std::fabs(q - two_pi / ice_d) < half_width_q_recipA) return true; return false; }