jfjoch_process: Include scaling - to be tested

image_analysis/IndexAndRefine.cpp

@@ -240,3 +240,32 @@ std::optional<RotationIndexerResult> IndexAndRefine::Finalize() {
         return rotation_indexer->GetLattice();
     return {};
 }
+
+std::optional<ScaleMergeResult> IndexAndRefine::ScaleRotationData(const ScaleMergeOptions &opts) const {
+    std::vector<Reflection> snapshot;
+    {
+        std::unique_lock ul(reflections_mutex);
+        snapshot = reflections;          // cheap copy under lock
+    }
+
+    // Need a reasonable number of reflections to make refinement meaningful
+    constexpr size_t kMinReflections = 20;
+    if (snapshot.size() < kMinReflections)
+        return std::nullopt;
+
+    // Build options focused on mosaicity refinement but allow caller override
+    ScaleMergeOptions options = opts;
+
+    // If the experiment provides a wedge, propagate it
+    if (experiment.GetGoniometer().has_value())
+        options.wedge_deg = experiment.GetGoniometer()->GetWedge_deg();
+
+    // If caller left space_group unset, try to pick it from the indexed lattice
+    if (!options.space_group.has_value()) {
+        auto sg = experiment.GetGemmiSpaceGroup();
+        if (sg)
+            options.space_group = *sg;
+    }
+
+    return ScaleAndMergeReflectionsCeres(snapshot, options);
+}