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* Rugnux: Rotation processing recovers most of the speed lost since 1.0.0-rc.180; live processing in jfjoch_broker finishes sooner. * Rugnux: More reliable rotation processing and indexing, including small molecules and supercells. * Rugnux: More robust serial data and model refinement; molecular replacement handles multi-chain models. * jfjoch_broker (experimental): Live serial processing keeps the detector geometry fixed for the whole run. * jfjoch_broker: Pixel sum without an FPGA, a mask bit for inactive pixels, and several stability fixes. * jfjoch_broker: Rotation indexing and quick integration moved to rugnux live mode; their API settings are deprecated and ignored. * jfjoch_broker, Rugnux: Azimuthal integration can use logarithmic (log10) Q bins or a given number of bins, set from the API, the web interface and the Rugnux command line. * jfjoch_viewer: Build and display fixes; the README is rewritten. Reviewed-on: #95 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
39 lines
1.7 KiB
C++
39 lines
1.7 KiB
C++
// SPDX-FileCopyrightText: 2025 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 <algorithm>
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#include <vector>
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#include "../common/Reflection.h"
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#include "../common/CrystalLattice.h"
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#include "../common/DiffractionGeometry.h"
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#include "ReflectionArena.h"
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// A frame's integrated reflections. The whole-run passes keep them in a ReflectionArena (see there);
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// anywhere else the allocator is plain new/delete.
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using ReflectionVector = std::vector<Reflection, ArenaAllocator<Reflection>>;
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struct IntegrationOutcome {
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DiffractionGeometry geom;
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CrystalLattice latt;
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ReflectionVector reflections;
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std::optional<float> mosaicity_deg;
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std::optional<float> image_scale_cc;
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std::optional<int64_t> image_scale_cc_n;
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std::optional<float> image_scale_g;
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std::optional<float> image_scale_wedge_deg;
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};
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// How far apart, in frames, two partials of one raw hkl may sit and still belong to the same rocking
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// event. The quantity being bridged is an ANGLE - a reflecting range, a tenth to half a degree - so
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// spelling it as a frame count makes the bridge grow with the slicing: at 1 deg per frame the two
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// frames that were always allowed are 2 deg of dead rotation, as wide as a whole event, and two
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// genuine Ewald crossings fuse into one "full". Half a degree of bridge instead, floored at one frame
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// (never cut an event at its own neighbours) and capped at the two frames that were always used. For
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// any wedge of 0.25 deg or less the quotient is at least two and the cap returns the literal 2.0f, so
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// finely sliced data is bridged exactly as before.
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inline float RockingEventFrameGap(float wedge_deg) {
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return std::min(2.0f, std::max(1.0f, 0.5f / wedge_deg));
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} |