Termine / Veranstaltungen

Colloquium: Applying the FAIR Principles to Crystallography Data Publication

Mittwoch, 07. Dezember 2022 // 10.30

NFDI Physical Sciences Joint Colloquium

The NFDI Physical Sciences Joint Colloquium is a collaboration between the NFDI consortia FAIRmat, DAPHNE4NFDI, MaRDI, NFDIMatWerk, NFDI4Chem, NFDI4Cat and PUNCH4NFDI. Together we bring the world's leading experts in research data infrastructure for physical sciences to our audience in Germany and around the globe.

 

NFDI Physical Sciences Joint Colloquium with John Helliwell

Applying the FAIR Principles to Crystallography Data Publication – a use case for DAPHNE4NFDI?

with John R. Helliwell, University of Manchester

This event is hosted by DAPHNE4NFDI.

Crystallography is a discipline which has strived for decades to ensure availability of its data with its publications. This has involved harnessing digital storage media at every stage of their development through punched cards, magnetic tapes, disks and exemplified today by ‘the cloud’. Crystallography has a highly developed databases’ infrastructure which commenced with the Cambridge Structure Database in the 1960s and to the Protein Data Bank from 1971 onwards. There are community-agreed processed diffraction data and model validation checks that are routinely made, known as the Crystallographic Information Framework. Although this system is not perfect, it provides the best chance for ensuring reliability and thereby trust in what we do.

This approach is summed up by the FAIR (Findable, Accessible, Interoperable, and Reusable) movement. More generally, the funding agencies, in their response to governments and taxpayers, also seek faster discoveries and, if possible, better value for their money. Thus, raw data could be released for use beyond the original research team, usually after an embargo period of typically 3 years. There is an expansion of the synchrotron, X-ray laser and neutron facilities’ capacities to archive raw data. The colossal expansion of the raw data archives presents excellent opportunities to all scientists, including users of the photon and neutron facilities.

In Germany the National Research Data Infrastructure Germany (NFDI) is bringing proper data management tools and metadata harvesting to many science areas including the photon and neutron sciences (DAPHNE4NFDI, DAta from PHoton and Neutron Experiments). DAPHNE4NFDI offers an exemplary approach to research raw data management strategy from proposal, to data catalogue to linking to publication.