Use nexus section in XRD #113
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Co-authored-by: Sarthak Kapoor <[email protected]>
Co-authored-by: Sarthak Kapoor <[email protected]> Co-authored-by: Hampus Näsström <[email protected]>
* Implement write nexus section based on the populated nomad archive * app def missing. * mapping nomad_measurement. * All concept are connected, creates nexus file and subsection. * adding links in hdf5 file. * Remove the nxs file. * back to the previous design. * Include pynxtools plugins in nomad.yaml and extend dependencies including pynxtools ans pnxtools-xrd. * PR review correction. * Remove the entry_type overwtitten. * Remove comments. * Replace __str__ function. * RUFF * Update pyproject.toml Co-authored-by: Sarthak Kapoor <[email protected]> * Update src/nomad_measurements/xrd/schema.py Co-authored-by: Sarthak Kapoor <[email protected]> * Update src/nomad_measurements/xrd/nx.py * Replace Try-block. --------- Co-authored-by: Sarthak Kapoor <[email protected]> Co-authored-by: Sarthak Kapoor <[email protected]>
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We need an external file to offload array data like
intensityfrom the archive, especially for RSM scans. This will reduce the loading time of the archive when toggling between tabs in GUI. For this, we can use.nxsfile, which is an HDF5 file, to store the data and access it via HDF5 references..nxsfile based on the archive. This happens inELNXRayDiffraction.normalizeand usespynxtools..nxsfile will be indexed as an entry, and make a subsection in theELNXRayDiffraction.HDF5Referenceas the type of the Quantity for array data: intensity, two_theta, q_parallel, q_perpendicular, q_norm, omega, phi, chi.