RotationIndexer: Add refinement of extra lattices + limit number of extra lattices

image_analysis/rotation_indexer/RotationIndexer.cpp

@@ -80,8 +80,10 @@ void RotationIndexer::RunIndexing() {
         if (indexer_result.lattice.size() > 1) {
             auto ml_latt = MultiLatticeSearch(indexer_result.lattice);
             for (auto &l : ml_latt) {
+                if (extra_lattices_.size() >= experiment.GetIndexingSettings().GetMaxExtraLattices())
+                    break;
 
-                // Ignore lattices oriented by less then 3.0 degree
+                // Ignore lattices oriented by less than 3.0 degree
                 if (l.rotation_vector.Length() < 3.0 * M_PI / 180.0)
                     continue;
 
@@ -100,6 +102,12 @@ void RotationIndexer::RunIndexing() {
                     .index_ice_rings = experiment.GetIndexingSettings().GetIndexIceRings(),
                     .axis = axis_
                 };
+
+                // Quick refinement: orientation only. Cell size/angles, beam center,
+                // detector angles and rotation axis are all kept from the first lattice.
+                // XtalOptimizer always refines orientation; everything else is frozen above.
+                XtalOptimizer(data_multi, v_);
+
                 extra_lattices_.push_back(data_multi.latt);
             }
         }