v1.0.0-rc.146 (#56)

This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset.
jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling.
jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file.
jfjoch_scale: Dedicated tool for rescaling/merging existing data.
jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel.

WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being.

Reviewed-on: #56

writer/HDF5DataFilePluginReflection.cpp

@@ -16,7 +16,7 @@ void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_
 
     std::vector<int32_t> h, k, l;
     std::vector<float> I, sigma, d, lp;
-    std::vector<float> image, phi, pred_x, pred_y, bkg, partiality, zeta;
+    std::vector<float> image, phi, pred_x, pred_y, obs_x, obs_y, bkg, partiality, zeta, scale_factor;
 
     h.reserve(msg.reflections.size());
     k.reserve(msg.reflections.size());
@@ -26,12 +26,15 @@ void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_
     d.reserve(msg.reflections.size());
     pred_x.reserve(msg.reflections.size());
     pred_y.reserve(msg.reflections.size());
+    obs_x.reserve(msg.reflections.size());
+    obs_y.reserve(msg.reflections.size());
     bkg.reserve(msg.reflections.size());
     lp.reserve(msg.reflections.size());
     partiality.reserve(msg.reflections.size());
     image.reserve(msg.reflections.size());
     phi.reserve(msg.reflections.size());
     zeta.reserve(msg.reflections.size());
+    scale_factor.reserve(msg.reflections.size());
 
     for (const auto &refl : msg.reflections) {
         image.emplace_back(refl.image_number);
@@ -43,11 +46,14 @@ void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_
         d.emplace_back(refl.d);
         pred_x.emplace_back(refl.predicted_x);
         pred_y.emplace_back(refl.predicted_y);
+        obs_x.emplace_back(refl.observed_x);
+        obs_y.emplace_back(refl.observed_y);
         bkg.emplace_back(refl.bkg);
         lp.emplace_back(1.0/refl.rlp);
         partiality.emplace_back(refl.partiality);
         phi.emplace_back(refl.delta_phi_deg);
         zeta.emplace_back(refl.zeta);
+        scale_factor.emplace_back(refl.image_scale_corr);
     }
 
     std::string image_group_name = fmt::format("image_{:06d}", image_number);
@@ -60,6 +66,8 @@ void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_
     image_group.SaveVector("delta_phi", phi);
     image_group.SaveVector("predicted_x", pred_x);
     image_group.SaveVector("predicted_y", pred_y);
+    image_group.SaveVector("observed_x", obs_x);
+    image_group.SaveVector("observed_y", obs_y);
     image_group.SaveVector("int_sum", I);
     image_group.SaveVector("int_err", sigma);
     image_group.SaveVector("background_mean", bkg);
@@ -67,6 +75,7 @@ void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_
     image_group.SaveVector("lp", lp);
     image_group.SaveVector("partiality", partiality);
     image_group.SaveVector("zeta", zeta);
+    image_group.SaveVector("image_scale_corr", scale_factor);
 }
 
 void HDF5DataFilePluginReflection::WriteFinal(HDF5File &data_file) {