Save/transfer/read/display image scale results

2026-05-14 15:45:58 +02:00
parent 1bccbda370
commit 0e9f7cc956
37 changed files with 283 additions and 110 deletions
@@ -94,6 +94,11 @@ void HDF5DataFilePluginMX::OpenFile(HDF5File &data_file, const DataMessage &msg,
    spot_count_indexed.reserve(images_per_file);
    spot_count_low_res.reserve(images_per_file);
    integrated_reflections.reserve(images_per_file);
+
+    image_scale_factor.reserve(images_per_file);
+    image_scale_cc.reserve(images_per_file);
+    image_scale_mosaicity.reserve(images_per_file);
+    image_scale_b_factor.reserve(images_per_file);
 }

 void HDF5DataFilePluginMX::Write(const DataMessage &msg, uint64_t image_number) {
@@ -171,6 +176,14 @@ void HDF5DataFilePluginMX::Write(const DataMessage &msg, uint64_t image_number)
            bravais_lattice[image_number] = "";
            niggli_class[image_number] = 0;
        }
+
+        if (!image_scale_factor.empty())
+            image_scale_present = true;
+
+        image_scale_factor[image_number] = msg.image_scale_factor.value_or(NAN);
+        image_scale_cc[image_number] = msg.image_scale_cc.value_or(NAN);
+        image_scale_mosaicity[image_number] = msg.image_scale_mosaicity.value_or(NAN);
+        image_scale_b_factor[image_number] = msg.image_scale_b_factor.value_or(NAN);
    }
 }

@@ -232,4 +245,11 @@ void HDF5DataFilePluginMX::WriteFinal(HDF5File &data_file) {
        data_file.SaveVector("/entry/MX/resolutionEstimate", resolution_estimate.vec())->Units("Angstrom");
    if (!integrated_reflections.empty())
        data_file.SaveVector("/entry/MX/integratedReflections", integrated_reflections.vec());
+
+    if (image_scale_present) {
+        data_file.SaveVector("/entry/MX/imageScaleFactor", image_scale_factor.vec());
+        data_file.SaveVector("/entry/MX/imageScaleCC", image_scale_cc.vec());
+        data_file.SaveVector("/entry/MX/imageScaleMosaicity", image_scale_mosaicity.vec())->Units("deg");
+        data_file.SaveVector("/entry/MX/imageScaleBFactor", image_scale_b_factor.vec())->Units("Angstrom^2");
+    }
 }