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Jungfraujoch/tests/RugnuxTest.cpp
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leonarski_fandClaude Opus 5.5 55dd0d4f6b rugnux: doubled-cell hypothesis - the supercell probe reads its class to the limit, and a class that stands clear is merged in the doubled cell as well 
Supercell probe, log-only part: the class it reads over 20-3 A is followed out to the run's own
limit (a second prediction of the same supercell on the same 60 frames, so the 20-3 A band and the
SUPERCELL_* keys are unchanged). Half-integer reflections are counted only where no lattice
reflection predicted on the same frame lies within r3, and each resolution shell is read against the
median of the six other parity classes - which a single doubling leaves empty - as an excess in units
of the lattice's intensity and as a z in the class's own standard errors, the strongest sibling's z
beside it ("Supercell probe to the limit" in the log).

Doubled-cell hypothesis: where that class stands clear of the six empty ones (measured above its
noise and at more than twice the strongest of them, in at least three shells), the run integrates and
merges the doubled cell too, forcing the last pass's indexing result with its lattice doubled along
the class (orientation, geometry and axis kept). One of the two is written as the answer, the other's
merged .mtz/.cif/.hkl beside it as <prefix>_doubled or <prefix>_halfcell; the report names both
(DOUBLED_CELL_*). Which one is the answer is a policy behind one constant: ADDED_CLASS_SIGNIFICANT
(the doubled cell wherever the class stands clear) or HALF_CELL_BREAKS_DOWN (default: only where the
class reaches a quarter of the lattice's intensity in the finest shell both are measured in).

The doubled lattice is classed with a near-zero tolerance: the default lattice search promoted a
triclinic doubled cell with an 88.2 deg angle to orthorhombic C, and no frame indexed.

Measured on forced doubled-cell merges (rc175 b530c2d base): the open-arm crystal deposited in the
doubled cell merges at R-free 0.275 against its deposited model, against 0.574 in the half cell
(odd/even 0.02 at >8 A rising to 0.65 at 1.95 A, odd half-set CC1/2 0.93 at 8-5 A). Five crystals
deposited in the half cell read classes the doubled merge holds as well (odd CC1/2 0.73-0.98 at
8-4 A): two rise with resolution like the first (to 0.4-0.5 at 2.5 A), one is strong from low
resolution (0.3-0.5), two stay flat at 0.1-0.2. Nothing measured on intensities - the trend, the
neighbour correlation, the separation from the nearest lattice reflection after the r3 filter -
separated the doubled deposition from the rising half-cell ones, so the policy is the owner's call.

Also: the SUPERCELL_POSSIBLE prose no longer says correct cells "read the same", and the warning no
longer advises -C with the doubled cell, which the indexer reduces back to the half cell.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
2026-10-10 10:47:55 +02:00

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// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <catch2/catch_all.hpp>
#include <cmath>
#include <filesystem>
#include "../common/DiffractionExperiment.h"
#include "../common/ScanResultGenerator.h"
#include "../writer/FileWriter.h"
#include "../reader/JFJochHDF5Reader.h"
#include "../rugnux/Rugnux.h"
#include "../rugnux/RugnuxCommandLine.h"
#include "../image_analysis/bragg_integration/SpotWidth.h"
#include "../image_analysis/geom_refinement/Calibrants.h"
namespace {
// Write a small VDS dataset of `n` flat images and return nothing (prefix_master.h5 +
// prefix_data_000001.h5 land in the test working directory).
void WriteTestDataset(const std::string &prefix, int n) {
RegisterHDF5Filter();
DiffractionExperiment x(DetJF(1));
x.FilePrefix(prefix).ImagesPerTrigger(n).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(n).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(true);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
x.BeamX_pxl(512).BeamY_pxl(256).DetectorDistance_mm(150).IncidentEnergy_keV(WVL_1A_IN_KEV)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
std::vector<int16_t> image(x.GetPixelsNum(), 5);
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
ScanResultGenerator generator(x);
for (int i = 0; i < n; i++) {
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
generator.Add(message);
}
EndMessage end_message;
end_message.max_image_number = n;
generator.FillEndMessage(end_message);
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
}
TEST_CASE("Rugnux_AzInt", "[HDF5][Full]") {
WriteTestDataset("process_azint_in", 8);
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("process_azint_in_master.h5"));
auto dataset = reader.GetDataset();
REQUIRE(dataset);
ProcessConfig config;
config.mode = ProcessMode::AzimuthalIntegration;
config.nthreads = 2;
config.output_prefix = "process_azint_out";
Rugnux process(reader, dataset->experiment, *dataset->pixel_mask, config);
ProcessResult result;
REQUIRE_NOTHROW(result = process.Run());
CHECK_FALSE(result.cancelled);
CHECK(result.images_processed == 8);
REQUIRE(result.written_master_path.has_value());
{
// The _process.h5 links back to the source images and carries an azimuthal profile per image.
JFJochHDF5Reader out;
REQUIRE_NOTHROW(out.ReadFile("process_azint_out_process.h5"));
CHECK(out.GetNumberOfImages() == 8);
std::shared_ptr<JFJochReaderImage> img;
REQUIRE_NOTHROW(img = out.LoadImage(0));
REQUIRE(img);
CHECK_FALSE(img->ImageData().az_int_profile.empty());
}
reader.Close();
remove("process_azint_in_master.h5");
remove("process_azint_in_data_000001.h5");
remove("process_azint_out_process.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("Rugnux_NoOutput", "[HDF5][Full]") {
WriteTestDataset("process_noout_in", 6);
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("process_noout_in_master.h5"));
auto dataset = reader.GetDataset();
// Empty output prefix => process without writing any file.
ProcessConfig config;
config.mode = ProcessMode::AzimuthalIntegration;
config.nthreads = 3;
Rugnux process(reader, dataset->experiment, *dataset->pixel_mask, config);
auto result = process.Run();
CHECK_FALSE(result.cancelled);
CHECK(result.images_processed == 6);
CHECK_FALSE(result.written_master_path.has_value());
reader.Close();
remove("process_noout_in_master.h5");
remove("process_noout_in_data_000001.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("Rugnux_Cancel", "[HDF5][Full]") {
WriteTestDataset("process_cancel_in", 8);
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("process_cancel_in_master.h5"));
auto dataset = reader.GetDataset();
ProcessConfig config;
config.mode = ProcessMode::AzimuthalIntegration;
config.nthreads = 2;
Rugnux process(reader, dataset->experiment, *dataset->pixel_mask, config);
process.Cancel(); // cancel before running: the worker loop stops immediately
auto result = process.Run();
CHECK(result.cancelled);
CHECK(result.images_processed == 0);
CHECK_FALSE(result.written_master_path.has_value());
reader.Close();
remove("process_cancel_in_master.h5");
remove("process_cancel_in_data_000001.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
// A calibration re-integrates its images binned about the geometry it fitted, and fits again. That
// second profile must be the sum over every image: here each of six frames carries a different sixth
// of the LaB6 rings, so a profile missing a frame is missing rings. The header's beam centre is 5 px
// out, far enough that the first pass's smeared profile loses to the re-binned one - so the geometry
// that comes out is the one fitted on the re-binned sum, and it must not depend on the thread count.
TEST_CASE("Rugnux_CalibrationRebinsEveryImage", "[HDF5][DetGeomCalib]") {
RegisterHDF5Filter();
constexpr int n = 6;
constexpr float true_beam_x = 1090.0f, true_beam_y = 1100.0f;
const std::vector<float> rings_q = CalibrantRings("lab6");
DiffractionExperiment x(DetJF4M());
x.FilePrefix("process_calib_in").ImagesPerTrigger(n).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(n).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(true);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
x.BeamX_pxl(true_beam_x).BeamY_pxl(true_beam_y).DetectorDistance_mm(100).IncidentEnergy_keV(WVL_1A_IN_KEV)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
const DiffractionGeometry geom_true = x.GetDiffractionGeometry();
x.BeamX_pxl(true_beam_x + 5.0f); // what the header says
// Radii of the rings the beam reaches, in pixels about the true centre.
std::vector<float> ring_radius;
for (const float q : rings_q) {
const float d = static_cast<float>(2.0 * PI) / q;
if (d > geom_true.GetWavelength_A() / 2.0f)
ring_radius.push_back(geom_true.ResToPxl(d));
}
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
ScanResultGenerator generator(x);
std::vector<int16_t> image(x.GetPixelsNum());
for (int i = 0; i < n; i++) {
for (int64_t p = 0; p < x.GetPixelsNum(); p++) {
const float px = static_cast<float>(p % x.GetXPixelsNum());
const float py = static_cast<float>(p / x.GetXPixelsNum());
const float r = std::hypot(px - true_beam_x, py - true_beam_y);
float v = 5.0f;
for (size_t k = i; k < ring_radius.size(); k += n) {
const float dr = r - ring_radius[k];
v += 400.0f * std::exp(-0.5f * dr * dr / (1.5f * 1.5f));
}
image[p] = static_cast<int16_t>(std::lround(v));
}
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
generator.Add(message);
}
EndMessage end_message;
end_message.max_image_number = n;
generator.FillEndMessage(end_message);
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("process_calib_in_master.h5"));
auto dataset = reader.GetDataset();
REQUIRE(dataset);
DiffractionExperiment experiment(dataset->experiment);
auto azint = experiment.GetAzimuthalIntegrationSettings();
azint.AzimuthalBinCount(32);
experiment.ImportAzimuthalIntegrationSettings(azint);
std::vector<CalibrationResult> results;
for (const int nthreads : {1, 4}) {
ProcessConfig config;
config.mode = ProcessMode::Calibration;
config.calibrant_ring_q = rings_q;
config.nthreads = nthreads;
config.write_process_h5 = false;
config.beam_center_check = false;
config.spot_finding = DiffractionExperiment::DefaultDataProcessingSettings();
config.spot_finding.indexing = false;
Rugnux process(reader, experiment, *dataset->pixel_mask, config);
ProcessResult result;
REQUIRE_NOTHROW(result = process.Run());
REQUIRE(result.calibration.has_value());
results.push_back(*result.calibration);
}
for (const auto &cal : results) {
CHECK(cal.converged);
CHECK(cal.geometry.GetBeamX_pxl() == Catch::Approx(true_beam_x).margin(0.5));
CHECK(cal.geometry.GetBeamY_pxl() == Catch::Approx(true_beam_y).margin(0.5));
}
CHECK(results[0].ring_points == results[1].ring_points);
CHECK(results[0].rms_radial_pxl == results[1].rms_radial_pxl);
CHECK(results[0].geometry.GetBeamX_pxl() == results[1].geometry.GetBeamX_pxl());
CHECK(results[0].geometry.GetBeamY_pxl() == results[1].geometry.GetBeamY_pxl());
CHECK(results[0].geometry.GetDetectorDistance_mm() == results[1].geometry.GetDetectorDistance_mm());
reader.Close();
remove("process_calib_in_master.h5");
remove("process_calib_in_data_000001.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("RugnuxCommandLine_Full", "[process]") {
DiffractionExperiment x(DetJF(1));
IndexingSettings idx;
idx.Algorithm(IndexingAlgorithmEnum::FFT);
idx.GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum::BeamCenter);
x.ImportIndexingSettings(idx);
x.SpaceGroupNumber(96);
ProcessConfig config;
config.mode = ProcessMode::FullAnalysis;
config.nthreads = 8;
config.output_prefix = "run1";
config.end_image = 500;
config.rotation_indexing = true;
config.two_pass_rotation = true;
config.rotation_indexing_image_count = 30;
config.spot_finding = DiffractionExperiment::DefaultDataProcessingSettings();
const std::string cmd = RugnuxCommandLine(config, x, "/data/test_master.h5");
CHECK(cmd.rfind("rugnux", 0) == 0);
CHECK(cmd.find("-N 8") != std::string::npos);
CHECK(cmd.find("-e 500") != std::string::npos);
CHECK(cmd.find("-o run1") != std::string::npos);
CHECK(cmd.find("-X fft") != std::string::npos);
CHECK(cmd.find("-S 96") != std::string::npos);
// -R takes an optional argument, so its value must be attached (-R30); a separate "-R 30" token
// would not re-parse (getopt would leave 30 as a positional and drop the count).
CHECK(cmd.find("-R30") != std::string::npos);
CHECK(cmd.find("-R 30") == std::string::npos);
CHECK(cmd.find("/data/test_master.h5") != std::string::npos);
}
TEST_CASE("RugnuxCommandLine_AzInt", "[process]") {
DiffractionExperiment x(DetJF(1));
AzimuthalIntegrationSettings a;
a.AzimuthalBinCount(4);
x.ImportAzimuthalIntegrationSettings(a);
ProcessConfig config;
config.mode = ProcessMode::AzimuthalIntegration;
config.nthreads = 2;
config.output_prefix = "az";
const std::string cmd = RugnuxCommandLine(config, x, "in.h5");
CHECK(cmd.rfind("rugnux", 0) == 0);
CHECK(cmd.find("--mode azint") != std::string::npos);
CHECK(cmd.find("--azim-phi-bins 4") != std::string::npos);
CHECK(cmd.find("--azim-min-q") != std::string::npos);
CHECK(cmd.find("in.h5") != std::string::npos);
}
namespace {
// A field of identical round Gaussian spots on three rings, so that the width estimator sees
// several resolution bands with the same true width and its 1/d fit has to come back flat.
void PaintGaussianSpots(ImagePreprocessorBuffer &image, int w, double sigma, double total_counts,
std::vector<DiffractionSpot> &spots) {
constexpr int BKG = 3;
for (size_t i = 0; i < image.size(); i++) image[i] = BKG;
const double amp = total_counts / (2.0 * M_PI * sigma * sigma);
for (int radius : {150, 350, 550})
for (int k = 0; k < 20; k++) {
const double phi = 2.0 * M_PI * k / 20.0 + 0.1 * radius;
const int cx = static_cast<int>(std::lround(600 + radius * std::cos(phi)));
const int cy = static_cast<int>(std::lround(600 + radius * std::sin(phi)));
for (int dy = -14; dy <= 14; dy++)
for (int dx = -14; dx <= 14; dx++)
image[static_cast<size_t>(cy + dy) * w + (cx + dx)] +=
static_cast<int32_t>(std::lround(
amp * std::exp(-(dx * dx + dy * dy) / (2.0 * sigma * sigma))));
spots.emplace_back(static_cast<uint32_t>(cx), static_cast<uint32_t>(cy),
static_cast<int64_t>(total_counts));
}
}
}
// The width the adaptive integration radius is set from. A round Gaussian of width sigma holds 80 %
// of its flux inside sqrt(2 ln 5) * sigma = 1.794 * sigma, and that is what the estimator has to
// return - over an aperture that owes nothing to the integrator's r1, which is the whole point of
// measuring it here rather than reading the integrator's own second moment.
TEST_CASE("SpotWidth_Gaussian", "[process]") {
constexpr int W = 1200, H = 1200;
DiffractionGeometry geometry;
geometry.BeamX_pxl(600).BeamY_pxl(600).DetectorDistance_mm(200).PixelSize_mm(0.075)
.Wavelength_A(1.0);
for (double sigma : {1.0, 2.2}) {
ImagePreprocessorBuffer image(static_cast<size_t>(W) * H);
std::vector<DiffractionSpot> spots;
PaintGaussianSpots(image, W, sigma, 20000.0, spots);
std::vector<spot_width::FluxCurve> curves;
MeasureSpotFluxCurves(image, W, H, geometry, spots, curves);
REQUIRE(curves.size() >= 45);
const auto r80 = spot_width::R80AtReference(curves);
REQUIRE(r80.has_value());
CHECK(*r80 == Catch::Approx(1.794 * sigma).margin(0.3));
}
// The rule the measurement drives: the shipped radius below the line, the capped one above it.
CHECK(spot_width::R1ForWidth(1.0f) == 4.0f);
CHECK(spot_width::R1ForWidth(1.794f) == 4.0f);
CHECK(spot_width::R1ForWidth(2.4f) == 5.0f);
CHECK(spot_width::R1ForWidth(3.947f) == 6.0f);
CHECK(spot_width::R1ForWidth(9.0f) == 6.0f);
}
// The rotation two-pass quality guard. The refined pass is sent back to the header geometry only for
// a decisive loss of signal - reflections at I/sigma >= 2 net of the noise tail at <= -2 - over no
// more of reciprocal space.
TEST_CASE("DoubledCellDecision", "[process]") {
// Shells of the supercell probe's trend: d range, excess over the null, z, the strongest null z and
// the lattice's <I/sigma>.
const auto trend = [](std::vector<std::array<double, 3>> excess_z_lattice) {
ProcessResult::SupercellClass sc;
float d = 20.0f;
for (const auto &[excess, z, lattice] : excess_z_lattice) {
ProcessResult::SupercellClass::Shell sh;
sh.d_low_A = d;
sh.d_high_A = d *= 0.7f;
sh.excess = excess;
sh.z = z;
sh.sibling_z = 3.0;
sh.lattice_i_over_sigma = lattice;
sc.trend.push_back(sh);
}
return sc;
};
// A pseudo-translation that breaks down: weak at low resolution, a third of the lattice where the
// lattice is still measured.
const auto breaks_down = trend({{0.02, 17, 18}, {0.10, 38, 7}, {0.26, 36, 6}, {0.35, 45, 2.4}, {0.46, 33, 0.8}});
CHECK(DoubledCellWorthMerging(breaks_down));
CHECK(!AdoptDoubledCell(breaks_down).empty());
// A class that stays a tenth of the lattice at every resolution: merged as well, the half cell kept.
const auto flat = trend({{0.09, 10, 70}, {0.11, 23, 28}, {0.10, 24, 33}, {0.11, 24, 18}, {0.10, 23, 8}});
CHECK(DoubledCellWorthMerging(flat));
CHECK(AdoptDoubledCell(flat).empty());
// A class no stronger than the null: nothing.
const auto null_class = trend({{0.01, 4, 20}, {0.02, 5, 10}, {0.03, 2, 5}, {0.05, 1, 2}});
CHECK(!DoubledCellWorthMerging(null_class));
}
TEST_CASE("RefinedPassIsWorse", "[process]") {
const auto pass = [](const UnitCell &cell, char centering, int64_t strong, int64_t negative,
int64_t reflections) {
ProcessResult r;
r.has_merge_statistics = true;
r.consensus_cell = cell;
r.consensus_centering = centering;
r.search_merge_strong_reflections = strong;
r.search_merge_negative_reflections = negative;
r.search_merge_reflections = reflections;
return r;
};
const UnitCell cell{50.0f, 60.0f, 70.0f, 90.0f, 90.0f, 90.0f};
// Same lattice: a loss of more than 10 % of the signal is decisive, a smaller one is not.
const ProcessResult header = pass(cell, 'P', 50000, 1000, 200000);
CHECK(!RefinedPassIsWorse(header, pass(cell, 'P', 40000, 1000, 200000)).empty());
CHECK(RefinedPassIsWorse(header, pass(cell, 'P', 46000, 1000, 200000)).empty());
// ... unless the refined pass reaches into more of reciprocal space: a dilution, not a loss.
CHECK(RefinedPassIsWorse(header, pass(cell, 'P', 40000, 1000, 420000)).empty());
// The header pass on a 7x supercell: seven times the reflections, six in seven of them empty,
// and their noise tail alone reaches the strong count. Raw, 120k against 80k would read as a
// decisive loss for the refined pass on the crystal's own lattice; net of the noise it is none.
const UnitCell supercell{350.0f, 60.0f, 70.0f, 90.0f, 90.0f, 90.0f};
const ProcessResult on_supercell = pass(supercell, 'P', 120000, 40000, 1400000);
CHECK(RefinedPassIsWorse(on_supercell, pass(cell, 'P', 80000, 1500, 200000)).empty());
// The rescue the guard is there for is kept: a refined pass that drops to a sub-cell of the
// header's lattice loses the reflections the sub-cell cannot index. Half the volume, half the
// reflections - the same coverage - and half the signal.
const UnitCell subcell{25.0f, 60.0f, 70.0f, 90.0f, 90.0f, 90.0f};
CHECK(!RefinedPassIsWorse(header, pass(subcell, 'P', 25500, 500, 100000)).empty());
// A centred setting of the same lattice counts only the reflections its centring allows, so the
// counts compare as they are; the primitive volume puts the coverage on the same footing.
const UnitCell doubled{100.0f, 60.0f, 70.0f, 90.0f, 90.0f, 90.0f};
CHECK(RefinedPassIsWorse(header, pass(doubled, 'C', 49000, 1000, 200000)).empty());
CHECK(!RefinedPassIsWorse(header, pass(doubled, 'C', 40000, 1000, 200000)).empty());
// The axial arm: half of the low-order axial rows lost in the same setting, with no more signal.
ProcessResult lost_rows = pass(cell, 'P', 50000, 1000, 200000);
ProcessResult with_rows = header;
with_rows.search_merge_axial_reflections = 16;
lost_rows.search_merge_axial_reflections = 8;
CHECK(!RefinedPassIsWorse(with_rows, lost_rows).empty());
}
// The beam-centre arbitration between a first pass at the file's centre and one at the measured
// centre. Two arms on the same lattice are two geometries of one hypothesis: they are judged on the
// signal each measured, not on a CC1/2 that reads the same on both.
TEST_CASE("MeasuredCentreWins", "[process]") {
const auto arm = [](const UnitCell &cell, gemmi::CrystalSystem system, double cc_half, int64_t strong) {
ProcessResult r;
r.has_merge_statistics = true;
r.consensus_cell = cell;
r.consensus_centering = 'P';
r.rotation_lattice_type = LatticeMessage{'P', 0, system};
r.search_merge_cc_half = cc_half;
r.search_merge_strong_reflections = strong;
r.search_merge_reflections = 40000;
return r;
};
const UnitCell triclinic{40.0f, 41.0f, 100.0f, 86.0f, 84.0f, 72.0f};
// The same lattice in the setting with a and b exchanged, as a noisy a ~ b can come out.
const UnitCell swapped{41.02f, 39.98f, 100.1f, 84.0f, 86.0f, 72.0f};
const auto tri = gemmi::CrystalSystem::Triclinic;
const ProcessResult file = arm(triclinic, tri, 0.87, 9000);
REQUIRE(ArmsHoldSameLattice(file, arm(swapped, tri, 0.87, 9000)));
// Same lattice, same CC1/2: the arm that measured more signal wins, whichever centre it is...
CHECK(!MeasuredCentreWins(file, arm(swapped, tri, 0.87, 9500)).empty());
CHECK(MeasuredCentreWins(file, arm(swapped, tri, 0.87, 8500)).empty());
// ...a tie keeps the file's centre, and a higher CC1/2 alone does not move it.
CHECK(MeasuredCentreWins(file, arm(swapped, tri, 0.99, 9000)).empty());
// Different lattices: the metric question, decided on the search merges.
const UnitCell monoclinic{57.0f, 42.0f, 100.0f, 90.0f, 95.0f, 90.0f};
const auto mono = gemmi::CrystalSystem::Monoclinic;
REQUIRE(!ArmsHoldSameLattice(file, arm(monoclinic, mono, 0.87, 9000)));
CHECK(!MeasuredCentreWins(file, arm(monoclinic, mono, 0.95, 9000)).empty());
CHECK(MeasuredCentreWins(file, arm(monoclinic, mono, 0.88, 20000)).empty());
}
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