Use Case 10: Diffraction & spectroscopy

Within Use Case 10: Diffraction (small and wide angle) and spectroscopy, we are working on two specific work cases. One is the BioSAXS part, focusing on the creation and implementing of IGSNs, nexus file format and open data repositories by participants from Kiel university, University Siegen and EMBL. The second work case, led by FAU, works on developing a generic FAIR data workflow for working groups at research institutes.

In our BioSAXS section, we aim for a fully traceable and FAIR data publication and to achieve that, we employ the meta data schema developed by TA1 and TA2 to create nexus files containing not only the raw data but also information on the instrument, sample, researchers and extraction process. This includes the ingestion of persistent sample identifiers to connect the sample meta data to the collected X-ray scattering data. Kiel University hosts a service for creating and registering IGSNs for university members, which allows researchers to create a record of their samples in a simple and direct way. The service has been used to register our mixed DPPC and Azobenzene mimetics samples in our fully FAIR BioSAXS publication.