IUPAC Specification for the FAIR Management of Spectroscopic Data in Chemistry (IUPAC FAIRSpec) - Guiding Principles

29 April 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


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.


Spectroscopic data
Guiding principles
IUPAC Project 2019-031-1-024
IUPAC FAIRSpec standard
Finding aid
Data management

Supplementary weblinks


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