A Metadata Enhanced Filesystem: Data Exchange, Metadata Enrichment and Integrated Analysis Workflow.
Yannic Kerkhoff1 2, Manuel Güterbock1, Kai Ludwig1, Mathias Christmann1, Rainer Haag1
1 Freie Universität Berlin
2 Zuse Institute Berlin
In order to address complex challenges in supramolecular chemistry, Freie Universität Berlin has established the Core Facility "BioSupraMol," a state-of-the-art center for supra- and biomacromolecular analysis.
BioSupraMol aims to support internal researchers, students, and external scientists by providing cutting-edge analytical capabilities coupled with innovative data management and analysis solutions. To manage the exponentially growing data volumes associated with this collaborative network, we have implemented a robust and sustainable data management system in partnership with the Zuse Institute Berlin. This central storage infrastructure incorporates a sophisticated file system and rights model, enabling seamless integration of all research devices and groups. Our system not only facilitates the archiving and exchange of large-scale datasets, such as those from electron microscopy, but also allows for metadata extraction, annotation, standardization, and indexing across the consolidated data repository of individual research groups and device operators. Furthermore, we are developing customized, partially automated analysis workflows that will be integrated in the system for broad user accessibility.
For NFDI4Chem we will provide real-world use cases that include the development of machine learning algorithms and interactive image and data analysis tools for reliable and automated quantification of large (image) data sets and the implementation of a meta data enhanced file system to enrich datasets for long-term archival and reuse. We are optimistic that we will be able to contribute to the planned NFDI4Chem Task Areas 2, 3, 5 and 6 with these real-world use cases.