v1.0.0-rc.156 (#66)

This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use.

* jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output.
* jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling.
* Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool.
* jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection.
* jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata.
* CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66

Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>

reader/HDF5MetadataSource.cpp

@@ -360,6 +360,7 @@ HDF5MetadataSource::OpenResult HDF5MetadataSource::Open(const std::string &filen
 
                 dataset->indexing_result = master_file->ReadOptVector<float>("/entry/MX/imageIndexed");
                 dataset->bkg_estimate = master_file->ReadOptVector<float>("/entry/MX/bkgEstimate");
+                dataset->ice_ring_score = master_file->ReadOptVector<float>("/entry/MX/iceRingScore");
                 dataset->resolution_estimate = master_file->ReadOptVector<float>("/entry/MX/resolutionEstimate");
                 dataset->profile_radius = master_file->ReadOptVector<float>("/entry/MX/profileRadius");
                 // Master files write indexedLatticeCount; data files / the per-file MX
@@ -485,6 +486,10 @@ HDF5MetadataSource::OpenResult HDF5MetadataSource::Open(const std::string &filen
                                    data_file, "/entry/MX/bkgEstimate",
                                    number_of_images, fimages);
 
+                        ReadVector(dataset->ice_ring_score,
+                                   data_file, "/entry/MX/iceRingScore",
+                                   number_of_images, fimages);
+
                         ReadVector(dataset->profile_radius,
                                    data_file, "/entry/MX/profileRadius",
                                    number_of_images, fimages);
@@ -647,6 +652,12 @@ HDF5MetadataSource::OpenResult HDF5MetadataSource::Open(const std::string &filen
 
         DetectorSetup detector = DetDECTRIS(image_size_x, image_size_y, detector_name, {});
         detector.PixelSize_um(master_file->GetFloat("/entry/instrument/detector/x_pixel_size") * 1e6);
+        // Sensor thickness/material drive the parallax/absorption model, so take them from the file
+        // rather than the DetectorSetup default (NXmx stores thickness in metres).
+        if (master_file->Exists("/entry/instrument/detector/sensor_thickness"))
+            detector.SensorThickness_um(master_file->GetFloat("/entry/instrument/detector/sensor_thickness") * 1e6);
+        if (master_file->Exists("/entry/instrument/detector/sensor_material"))
+            detector.SensorMaterial(master_file->GetString("/entry/instrument/detector/sensor_material"));
         detector.SaturationLimit(master_file->GetInt("/entry/instrument/detector/saturation_value"));
         detector.MinFrameTime(std::chrono::microseconds(0));
         detector.MinCountTime(std::chrono::microseconds(0));
@@ -927,6 +938,8 @@ void HDF5MetadataSource::FillPerImage(DataMessage &message, int64_t requested_im
         message.indexing_lattice_count = dataset->indexing_lattice_count[image_number];
     if (dataset->bkg_estimate.size() > image_number)
         message.bkg_estimate = dataset->bkg_estimate[image_number];
+    if (dataset->ice_ring_score.size() > image_number)
+        message.ice_ring_score = dataset->ice_ring_score[image_number];
     if (dataset->efficiency.size() > image_number)
         message.image_collection_efficiency = dataset->efficiency[image_number];
     if (dataset->profile_radius.size() > image_number)