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IndexAndRefine: Work in progress to understand why rotation indexing doesn't work

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leonarski_f
2026-01-27 10:17:10 +01:00
parent b7b38b8e7d
commit 626f7abc30
2 changed files with 8 additions and 5 deletions
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12
image_analysis/IndexAndRefine.cpp
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@@ -35,10 +35,10 @@ IndexAndRefine::IndexingOutcome IndexAndRefine::DetermineLatticeAndSymmetry(Data
}
outcome.experiment.BeamX_pxl(result->geom.GetBeamX_pxl())
.BeamY_pxl(result->geom.GetBeamY_pxl())
.DetectorDistance_mm(result->geom.GetDetectorDistance_mm())
.PoniRot1_rad(result->geom.GetPoniRot1_rad())
.PoniRot2_rad(result->geom.GetPoniRot2_rad());
.BeamY_pxl(result->geom.GetBeamY_pxl())
.DetectorDistance_mm(result->geom.GetDetectorDistance_mm())
.PoniRot1_rad(result->geom.GetPoniRot1_rad())
.PoniRot2_rad(result->geom.GetPoniRot2_rad());
outcome.symmetry.centering = result->search_result.centering;
outcome.symmetry.niggli_class = result->search_result.niggli_class;
outcome.symmetry.crystal_system = result->search_result.system;
@@ -99,9 +99,13 @@ void IndexAndRefine::RefineGeometryIfNeeded(DataMessage &msg, IndexAndRefine::In
.min_spots = experiment.GetIndexingSettings().GetViableCellMinSpots(),
.refine_beam_center = true,
.refine_distance_mm = false,
.refine_detector_angles = false,
.max_time = 0.04 // 40 ms is max allowed time for the operation
};
if (experiment.IsRotationIndexing())
data.refine_beam_center = false;
if (outcome.symmetry.crystal_system == gemmi::CrystalSystem::Trigonal)
data.crystal_system = gemmi::CrystalSystem::Hexagonal;

1
tools/jfjoch_process.cpp
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@@ -133,7 +133,6 @@ int main(int argc, char **argv) {
experiment.Mode(DetectorMode::Standard); // Ensure full image analysis
experiment.PixelSigned(true);
experiment.OverwriteExistingFiles(true);
experiment.PolarizationFactor(0.0);
// Configure Indexing
IndexingSettings indexing_settings;