IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) – guiding principles-Reference-Cited by-同舟云学术

IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) – guiding principles

Published:2022-04-21 Issue:6 Volume:94 Page:623-636
ISSN:0033-4545
Container-title:Pure and Applied Chemistry
language:en
Short-container-title:

Author:

Hanson Robert M.¹^ORCID,Jeannerat Damien²^ORCID,Archibald Mark³^ORCID,Bruno Ian J.⁴^ORCID,Chalk Stuart J.⁵^ORCID,Davies Antony N.⁶^ORCID,Lancashire Robert J.⁷^ORCID,Lang Jeffrey⁸^ORCID,Rzepa Henry S.⁹^ORCID

Affiliation:

1. Department of Chemistry , St Olaf College , Northfield , MN , USA

2. NMRprocess.ch , Geneva , Switzerland

3. Royal Society of Chemistry , Cambridge , UK

4. Cambridge Crystallographic Data Centre , 12 Union Road , Cambridge CB2 1EZ , UK

5. Department of Chemistry , University of North Florida , Jacksonville , FL , USA

6. SERC, Sustainable Environment Research Centre, Faculty of Computing, Engineering and Science , University of South Wales , Newport , UK

7. Department of Chemistry , The University of the West Indies , Mona Campus , Kingston 7 , Jamaica

8. American Chemical Society Publications Division , Washington , DC , USA

9. Department of Chemistry , Molecular Sciences Research Hub, Imperial College London , White City Campus, Wood Lane , London W12 OBZ , UK

Abstract

Abstract A set of guiding principles for the development of a standard for FAIR management of spectroscopic data are outlined and discussed. The principles form the basis for future recommendations of IUPAC Project 2019-031-1-024 specifying a detailed data model and metadata schema for describing the contents of an “IUPAC FAIRData Collection” and the organization of digital objects within that collection. Foremost among the recommendations will be a specification for an “IUPAC FAIRData Finding Aid” that describes the collection in such a way as to optimize the findability, accessibility, interoperability, and reusability of its contents. Results of an analysis of data provided by an American Chemical Society Publications pilot study are discussed in relation to potential workflows that might be used in implementing the “IUPAC FAIRSpec” standard based on these principles.

Publisher

Walter de Gruyter GmbH

Subject

General Chemical Engineering,General Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/pac-2021-2009/pdf

Reference46 articles.

1. R. M. Hanson, D. Jeannerat, M. Archibald, I. J. Bruno, S. J. Chalk, A. N. Davies, R. J. Lancashire, J. Lang, H. S. Rzepa. Development of a Standard for FAIR Data Management of Spectroscopic Data, https://iupac.org/projects/project-details/?project_nr=2019-031-1-024.

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