The Raman Open Database in NOMAD

The Raman Open Database (ROD) is a public, CC0 1.0-licensed collection of reference Raman spectra, mostly of minerals and other crystalline materials, cross-referenced with the Crystallography Open Database (COD). pynxtools-raman can read every .rod record and bundles tooling to turn the whole database into one NOMAD upload — see How-to > Build a NOMAD upload batch from the Raman Open Database.

Two layers of citation

Because this data is being redistributed rather than originally produced, it carries citation information at two levels, and the tooling keeps them separate on purpose:

Per record, inside every .nxs file, the reader writes two citeID (NXcite) groups (see Learn > The WITec and ROD readers):

• citeID[cite_publication] — author, DOI, and description of the original paper reporting that specific spectrum, built from the publication metadata the .rod record itself carries.
• citeID[cite_rod] — a link back to the record's page on the ROD website, plus a note on the CC0 license and a request to cite the database (see below).

For the batch as a whole, pynx-raman build-upload-batch writes a nomad.json file that NOMAD applies as upload-wide metadata: a comment and a set of references citing the ROD project itself,

El Mendili, Y. et al. (2019). Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification. J. Appl. Cryst. 52, 618-625. doi:10.1107/S1600576719004229

and its CC0 1.0 license.