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v1.0.0-rc.184 (#95)
* 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>
2026-11-10 22:06:51 +01:00

39 lines
1.7 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#pragma once
#include <algorithm>
#include <vector>
#include "../common/Reflection.h"
#include "../common/CrystalLattice.h"
#include "../common/DiffractionGeometry.h"
#include "ReflectionArena.h"
// A frame's integrated reflections. The whole-run passes keep them in a ReflectionArena (see there);
// anywhere else the allocator is plain new/delete.
using ReflectionVector = std::vector<Reflection, ArenaAllocator<Reflection>>;
struct IntegrationOutcome {
DiffractionGeometry geom;
CrystalLattice latt;
ReflectionVector reflections;
std::optional<float> mosaicity_deg;
std::optional<float> image_scale_cc;
std::optional<int64_t> image_scale_cc_n;
std::optional<float> image_scale_g;
std::optional<float> image_scale_wedge_deg;
};
// How far apart, in frames, two partials of one raw hkl may sit and still belong to the same rocking
// event. The quantity being bridged is an ANGLE - a reflecting range, a tenth to half a degree - so
// spelling it as a frame count makes the bridge grow with the slicing: at 1 deg per frame the two
// frames that were always allowed are 2 deg of dead rotation, as wide as a whole event, and two
// genuine Ewald crossings fuse into one "full". Half a degree of bridge instead, floored at one frame
// (never cut an event at its own neighbours) and capped at the two frames that were always used. For
// any wedge of 0.25 deg or less the quotient is at least two and the cap returns the literal 2.0f, so
// finely sliced data is bridged exactly as before.
inline float RockingEventFrameGap(float wedge_deg) {
return std::min(2.0f, std::max(1.0f, 0.5f / wedge_deg));
}