FAIR NMR Data

Workflow for NMR data publication

Research data are most valuable when other people can find them, access them and reuse them.

This is the idea behind the FAIR principles: data should be Findable, Accessible, Interoperable and Reusable. In practice, though, publishing FAIR data is often seen as extra work that begins only after the paper and its supporting information are finished.

Along with colleagues in the Department and other infrastructures in the College, we are interested in developing automated workflows to help researchers publish FAIR data alongside their publications.

Our first example tackles the publication of FAIR NMR data using workflows embedded in a data repository. Uploading NMR data to our institutional data repository automatically assigns a DOI and creates the metadata needed to publish the data according to the FAIR guidelines. The supporting information and the raw data can then be submitted together with very little extra work, while following the FAIR guiding principles.

Although the workflow was implemented for NMR, the concept can be extended to other types of spectroscopic data.

For more details, check out our publications.

Publications

  1. Barba, A.; Dominguez, S.; Cobas, C.; Martinsen, D. P.; Romain, C.; Rzepa, H. S.; Seoane, F. Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data. ACS Omega 2019, 4, 3280–3286. 10.1021/acsomega.8b03005
  2. Davies, A. N.; Martinsen, D.; Rzepa, H. S.; Romain, C.; Barba, A.; Seoane, F.; Dominguez, S.; Cobas, C. Simplifying spectroscopic supplementary data collection. Spectroscopy Europe 2017, 29 (4). Link