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This publication focuses on the implementation of a FAIR (findable, accessible, interoperable, and reusable) data workflow for the analytical method ion-exchange chromatography and its impact on the FAIR compliance of the resulting measurement data. The workflow includes the structured collection of measurement- and method-relevant metadata, their storage in an electronic laboratory notebook, and the representation of these metadata in a graph database with the help of an ontology. For the implementation of this workflow, metadata schemas, ontologies, and programming scripts for handling the data need to be designed to meet the requirements of the target group. The current implementation status is evaluated with regard to the fulfillment of the FAIR guiding principles according to Wilkinson et al. In addition, two structured FAIR assessments were carried out using the Australian Research Data Commons FAIR self-assessment and the Data Stewardship Wizard software. The comparison of the assessments for the current implementation and its advancement (e.g., by including an ontology for ion chromatography) enables a better understanding of which FAIR compliance criteria are already realized and which criteria need more focus during further workflow implementation. In the spirit of open science and FAIR data, the individual research artifacts (e.g., metadata schemas and the ontology) will be made available in the domains of analytics and plasma science.
Wagner et al. (Wed,) studied this question.