IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) - guiding principles
File(s)10.1515_pac-2021-2009.pdf (761.68 KB)
Published version
Author(s)
Type
Journal Article
Abstract
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.
Date Issued
2022-04-21
Date Acceptance
2022-04-01
Citation
Pure and Applied Chemistry, 2022, 94 (6), pp.623-636
ISSN
0033-4545
Publisher
International Union of Pure and Applied Chemistry
Start Page
623
End Page
636
Journal / Book Title
Pure and Applied Chemistry
Volume
94
Issue
6
Copyright Statement
© 2022 IUPAC & De Gruyter. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000784344900001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
Cheminformatics
data management
FAIR data
FAIR data management
FAIR principles
spectroscopic data
spectroscopy
standards
INFRARED-SPECTRA
JCAMP-DX
EXCHANGE
STANDARD
Publication Status
Published
Date Publish Online
2022-04-21