Add EuXFEL attritutes to experiment and detector groups in the virtual CXI files. (#749)

* Write proposal and run numbers to virtual CXI files.

* Check if proposal and run numbers are in run_metadata.

* Store proposal and run numbers as attributes of the experiment entry.

* Store detector name as an attribute.

* Add experiment 'name' as an attribute of entry_1.

* Change entry_1 attributes names to euxfelProposalNumber and euxfelRunNumber.

Author: turkot

extra_data/write_cxi.py

@@ -240,20 +240,30 @@ def write(self, filename, fillvalues=None):
         # be read by HDF5 1.10.
         with h5py.File(filename, 'w', libver=('v110', 'v110')) as f:
             f.create_dataset('cxi_version', data=[150])
-            d = f.create_dataset('entry_1/experiment_identifier',
-                                 shape=experiment_ids.shape,
-                                 dtype=h5py.special_dtype(vlen=str))
+            expgrp = f.create_group('entry_1')
+            d = expgrp.create_dataset(
+                'experiment_identifier',
+                shape=experiment_ids.shape,
+                dtype=h5py.special_dtype(vlen=str)
+            )
             d[:] = experiment_ids
 
-            # pulseId, trainId, cellId are not part of the CXI standard,
-            # but it allows extra data.
-            f.create_dataset(f'entry_1/{self.pulse_id_label}', data=pulse_ids)
-            f.create_dataset('entry_1/trainId', data=self.train_ids_perframe)
-            cellids = f.create_virtual_dataset('entry_1/cellId',
-                                               layouts[self.cell_id_label])
+            # proposal, run, pulseId, trainId, cellId are not part of
+            # the CXI standard, but it allows extra data.
+            run_metadata = self.detdata.data.run_metadata()
+            if 'proposalNumber' in run_metadata and 'runNumber' in run_metadata:
+                expgrp.attrs['name'] = f"EuXFEL proposal {run_metadata['proposalNumber']}" \
+                                       f" run {run_metadata['runNumber']}"
+                expgrp.attrs['euxfelProposalNumber'] = run_metadata['proposalNumber']
+                expgrp.attrs['euxfelRunNumber'] = run_metadata['runNumber']
+            expgrp.create_dataset(f'{self.pulse_id_label}', data=pulse_ids)
+            expgrp.create_dataset('trainId', data=self.train_ids_perframe)
+            cellids = expgrp.create_virtual_dataset('cellId', layouts[self.cell_id_label])
             cellids.attrs['axes'] = 'experiment_identifier:module_identifier'
 
-            dgrp = f.create_group('entry_1/instrument_1/detector_1')
+            dgrp = expgrp.create_group('instrument_1/detector_1')
+            # Store detector name as an attribute
+            dgrp.attrs['name'] = self.detdata.detector_name
             if len(layouts[data_label].shape) == 4:
                 axes_s = 'experiment_identifier:module_identifier:y:x'
             else: