Dynamic Metadata Schemes in the Neutron and Photon Science Communities: A Case Study of X-Ray Photon Correlation Spectroscopy

Authors: Amir Tosson, Mohammad Reza, Christian Gutt

Abstract:

Metadata is one of the most important aspects for advancing data management practices within all research communities. Definitions and schemes of metadata are inter alia of particular significance in the domain of neutron and photon scattering experiments covering a broad area of different scientific disciplines. The demand of describing continuously evolving highly non-standardized experiments, including the resulting processed and published data, constitutes a considerable challenge for a static definition of metadata. Here, we present the concept of dynamic metadata for the neutron and photon scientific community, which enriches a static set of defined basic metadata. We explore the idea of dynamic metadata with the help of the use case of X-ray Photon Correlation Spectroscopy (XPCS), which is a synchrotron-based scattering technique that allows the investigation of nanoscale dynamic processes. It serves here as a demonstrator of how dynamic metadata can improve data acquisition, sharing, and analysis workflows. Our approach enables researchers to tailor metadata definitions dynamically and adapt them to the evolving demands of describing data and results from a diverse set of experiments. We demonstrate that dynamic metadata standards yield advantages that enhance data reproducibility, interoperability, and the dissemination of knowledge.

Keywords: Big data, metadata, schemas, XPCS, X-ray Photon Correlation Spectroscopy.

References:

[1] Wilkinson, Mark D., et al. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific data 3.1 (2016): 1-9.
[2] https://zenodo.org/records/8296725
[3] Saint, Nickolaus, et al. "Active Research Data Management with the Django Globus Portal Framework." Practice and Experience in Advanced Research Computing. 2023. 43-51.
[4] https://www.nfdi.de/
[5] Girelli, Anita, et al. "Microscopic dynamics of liquid-liquid phase separation and domain coarsening in a protein solution revealed by X-ray photon correlation spectroscopy." Physical Review Letters 126.13 (2021): 138004.
[6] Gorfman, Semën, et al. "Ferroelectric domain wall dynamics characterized with X-ray photon correlation spectroscopy." Proceedings of the National Academy of Sciences 115.29 (2018): E6680-E6689.
[7] Perakis, Fivos, et al. "Diffusive dynamics during the high-to-low density transition in amorphous ice." Proceedings of the National Academy of Sciences 114.31 (2017): 8193-8198.
[8] https://www.soft-matter.uni-tuebingen.de/XPCS.html.
[9] Zhang, Guilan, et al. "Relationship between the metadata and relevance criteria of scientific data." Data science journal 20 (2021): 5-5.
[10] Grant, Rebecca, Graham Smith, and Iain Hrynaszkiewicz. "Assessing metadata and curation quality: a case study from the development of a third-party curation service at Springer Nature." bioRxiv (2019): 530691
[11] Whttps://www.openarchives.org/pmh/
[12] Nurseitov, Nurzhan, et al. "Comparison of JSON and XML data interchange formats: a case study." Caine 9 (2009): 157-162. AND Peng, Dunlu, Lidong Cao, and Wenjie Xu. "Using JSON for data exchanging in web service applications." Journal of Computational Information Systems 7.16 (2011): 5883-5890.