IndexAndRefine: Don't refine unit cell when optimizing rotation result

2026-01-30 14:02:11 +01:00
parent 52c3c3f91a
commit d1a114aa51
1 changed files with 3 additions and 1 deletions
@@ -103,8 +103,10 @@ void IndexAndRefine::RefineGeometryIfNeeded(DataMessage &msg, IndexAndRefine::In
        .max_time = 0.04 // 40 ms is max allowed time for the operation
    };

-    if (experiment.IsRotationIndexing())
+    if (experiment.IsRotationIndexing()) {
        data.refine_beam_center = false;
+        data.refine_unit_cell = false;
+    }

    if (outcome.symmetry.crystal_system == gemmi::CrystalSystem::Trigonal)
        data.crystal_system = gemmi::CrystalSystem::Hexagonal;