Workflows allowing creation of journal article Supporting Information and FAIR-enabled publication of Spectroscopic data
File(s)
Published version
Author(s)
Type
Journal Article
Abstract
There is an increasing focus on the part of academic institutions, funding agencies, and publishers, if not researchers themselves, on preservation and sharing of research data. Motivations for sharing include research integrity, replicability, and reuse. One of the barriers to publishing data is the extra work involved in preparing data for publication once a journal article and its supporting information have been completed. In this work, a method is described to generate both human and machine-readable supporting information directly from the primary instrumental data files and to generate the metadata to ensure it is published in accordance with findable, accessible, interoperable, and reusable (FAIR) guidelines. Using this approach, both the human readable supporting information and the primary (raw) data can be submitted simultaneously with little extra effort. Although traditionally the data package would be sent to a journal publisher for publication alongside the article, the data package could also be published independently in an institutional FAIR data repository. Workflows are described that store the data packages and generate metadata appropriate for such a repository. The methods both to generate and to publish the data packages have been implemented for NMR data, but the concept is extensible to other types of spectroscopic data as well.
Date Issued
2019-02-28
Date Acceptance
2019-01-17
Citation
ACS Omega, 2019, 4 (2), pp.3280-3286
ISSN
2470-1343
Publisher
American Chemical Society
Start Page
3280
End Page
3286
Journal / Book Title
ACS Omega
Volume
4
Issue
2
Copyright Statement
© 2019 American Chemical Society. This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
Publication Status
Published
Date Publish Online
2019-02-14