FAIRSpec-ready spectroscopic data collections - advice for researchers, authors, and data managers (IUPAC Technical Report)

Mark Archibald; Ian Bruno; Stuart Chalk; Antony N. Davies; Robert M. Hanson; Stefan Kuhn; Robert J. Lancashire; Henry S. Rzepa

doi:10.1515/pac-2025-0409

FAIRSpec-ready spectroscopic data collections - advice for researchers, authors, and data managers (IUPAC Technical Report)

Mark Archibald
, Ian Bruno
, Stuart Chalk
, Antony N. Davies
, Robert M. Hanson
, Stefan Kuhn
, Robert J. Lancashire
, Henry S. Rzepa

Chemistry and Biochemistry

Royal Society of Chemistry
Cambridge Crystallographic Data Centre
University of South Wales
St. Olaf College
University of Tartu
The University of the West Indies
Imperial College London

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	1479-1510
Number of pages	32
Journal	Pure and Applied Chemistry
Volume	97
Issue number	11
DOIs	https://doi.org/10.1515/pac-2025-0409
State	Published - Nov 1 2025

ASJC Scopus Subject Areas

General Chemistry
General Chemical Engineering

Keywords

Data management
FAIR data
FAIR data management
FAIRSpec
finding Aids
spectroscopy

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10.1515/pac-2025-0409

Cite this

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title = "FAIRSpec-ready spectroscopic data collections - advice for researchers, authors, and data managers (IUPAC Technical Report)",

keywords = "Data management, FAIR data, FAIR data management, FAIRSpec, finding Aids, spectroscopy",

author = "Mark Archibald and Ian Bruno and Stuart Chalk and Davies, \{Antony N.\} and Hanson, \{Robert M.\} and Stefan Kuhn and Lancashire, \{Robert J.\} and Rzepa, \{Henry S.\}",

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AU - Archibald, Mark

AU - Bruno, Ian

AU - Chalk, Stuart

AU - Davies, Antony N.

AU - Hanson, Robert M.

AU - Kuhn, Stefan

AU - Lancashire, Robert J.

AU - Rzepa, Henry S.

PY - 2025/11/1

Y1 - 2025/11/1

KW - Data management

KW - FAIR data

KW - FAIR data management

KW - FAIRSpec

KW - finding Aids

KW - spectroscopy

UR - https://www.mendeley.com/catalogue/f3548058-00c0-3ab8-9e36-bc7a60b5f6e6/

U2 - 10.1515/pac-2025-0409

DO - 10.1515/pac-2025-0409

M3 - Article

AN - SCOPUS:105018181615

SN - 0033-4545

VL - 97

SP - 1479

EP - 1510

JO - Pure and Applied Chemistry

JF - Pure and Applied Chemistry

IS - 11

ER -

FAIRSpec-ready spectroscopic data collections - advice for researchers, authors, and data managers (IUPAC Technical Report)

ASJC Scopus Subject Areas

Keywords

Access to Document

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