Enhancing FAIRdata by providing digital workflows from data generation to the publication of data: an open source approach described for cyclic voltammetry

Chemical Science, vol. 16, pp. 4430–4441

Abstract

Analytical data in chemistry and other disciplines is usually generated in different formats and lacks common data and metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe a workflow that uses non-standardized, in some cases proprietary, data formats from cyclic voltammetry measurements coming from individual devices as an instructive example, to yield open, standardized data that are annotated with rich metadata. The presented workflow includes concepts, software and infrastructure that can be used to support the whole data life cycle from the measurement of data to the publication of data and metadata in repositories. Components used for this workflow were made available as open source, allowing the re-use of this approach in other laboratories. The methods described for cyclic voltammetry can be adapted and used for other measurements and experimental data collections, allowing for an easy way to integrate new methods for digitalized research and FAIR data management.

Authors 18

1. Patrick Hodapp

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute for Biological Interfaces 3 – Soft Matter Laboratory (IBG 3 – SML), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

2. Martin Starman

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

3. Pei‐Chi Huang

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

4. Chia‐Lin Lin

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

5. Tillmann G. Fischer

   Helmholtz Centre for Environmental Research

   Affiliation as printed

   Department Exposure Science, Helmholtz Centre for Environmental Research (UFZ), Permoserstraße 15, 04318 Leipzig, Germany

6. Claudia Bizzarri

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

7. Philipp Röse

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute for Applied Materials – Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Kaiserstraße 12, Adenauerring 20b, 76131 Karlsruhe, Germany

8. Niklas Oppel

   Karlsruhe Institute of Technology

   Affiliation as printed

   Institute for Applied Materials – Electrochemical Technologies (IAM-ET), Karlsruhe Institute of Technology, Kaiserstraße 12, Adenauerring 20b, 76131 Karlsruhe, Germany

9. Jochen Klar
   Affiliation as printed

   Independent Developer, Cheruskerstr. 3, 10829 Berlin, Germany

10. Pierre Tremouilhac

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

11. Laura Holzhauer

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

12. Sonja Herres‐Pawlis Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

13. Alexander Hoffmann Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

14. Tobias Seitz Aachen Institute of Inorganic Chemistry

    RWTH Aachen University

    Affiliation as printed

    RWTH Aachen University, Institute of Inorganic Chemistry, Landoltweg 1a, 52074 Aachen, Germany

15. Alrik Dorn

    Leipzig University

    Affiliation as printed

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany

16. Kirsten Zeitler

    Leipzig University

    Affiliation as printed

    Institute of Organic Chemistry, Leipzig University, Johannisallee 29, 04103 Leipzig, Germany

17. Nicole Jung corresponding

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Karlsruhe Nano Micro Facility (KNMFi), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

18. Stefan Braese corresponding

    Karlsruhe Institute of Technology

    Affiliation as printed

    Institute of Biological and Chemical Systems, Functional Molecular Systems (IBCS), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany

    Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology, Kaiserstraße 12, 76131 Karlsruhe, Germany