IndexAndRefine: Keep unit cell dimensions constant when using rotation indexing

2026-05-17 13:15:22 +02:00
parent bed03840ea
commit 19f8d5e776
1 changed files with 1 additions and 1 deletions
@@ -115,6 +115,7 @@ void IndexAndRefine::RefineGeometryIfNeeded(DataMessage &msg, IndexAndRefine::In
        .refine_beam_center = true,
        .refine_distance_mm = false,
        .refine_detector_angles = false,
+        .refine_unit_cell = !experiment.IsRotationIndexing(),
        .max_time = 0.04 // 40 ms is max allowed time for the operation
    };

@@ -122,7 +123,6 @@ void IndexAndRefine::RefineGeometryIfNeeded(DataMessage &msg, IndexAndRefine::In
    if (outcome.symmetry.crystal_system == gemmi::CrystalSystem::Trigonal)
        data.crystal_system = gemmi::CrystalSystem::Hexagonal;

-
    switch (experiment.GetIndexingSettings().GetGeomRefinementAlgorithm()) {
        case GeomRefinementAlgorithmEnum::None:
            break;