Standardization and FAIR data pipelines in X-ray photoelectron spectroscopy: a community-driven approach

There has been a distinct lack of FAIR data principles in the field photoemission spectroscopy (PES). Within the FAIRmat consortium, we have been developing an end-to-end workflow for data management in PES experiments using NOMAD and NeXus, a community-driven data-modeling framework for experiments [1]. We will present an extensive and elaborated standard (NXmpes) for harmonizing PES data using NeXus. Specifically, we present our strategy to collaborate with leading manufacturers of PES equipment as well as the wider PES community to foster interoperability of NXmpes with existing measurement protocols and software solutions.

Finally, we provide an example for establishing a FAIR data pipeline using NXmpes in conjunction with the NOMAD research data management platform with a focus on X-ray photoelectron spectroscopy (XPS) data. We will show how research workflows and analysis results in XPS are represented in NOMAD and how individual scientists as well as the wider XPS community benefit from adapting these data pipelines.

References

[1] Könnecke, M., et al., The NeXus data format, J. Appl. Crystallogr. 2015, 48, 1, 301-305.

[2] https://fairmat-nfdi.github.io/nexus_definitions/classes/contributed_definitions/NXmpes.html

This work is funded by the NFDI consortium FAIRmat - Deutsche Forschungsgemeinschaft (DFG) - Project 460197019.