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Pure and Applied Chemistry

The Scientific Journal of IUPAC

Ed. by Burrows, Hugh / Stohner, Jürgen

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Volume 78, Issue 3


JCAMP-DX for electron magnetic resonance (EMR) (IUPAC Recommendations 2006)

Richard Cammack
  • Corresponding author
  • Pharmaceutical Sciences Research Division, King's College, Franklin-Wilkins Building, 150 Stamford St, London SE1 9NH, UK
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/ Yang Fann
  • Corresponding author
  • Intramural IT Program, NINDS/NIH, 10 Center Drive, MSC 1430, Bethesda, MD 20892-1430, USA
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/ Robert J. Lancashire
  • Corresponding author
  • Department of Chemistry, University of the West Indies, Mona, Kingston 7, JMAAW15, Jamaica
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/ John P. Maher / Peter S. McIntyre
  • Corresponding author
  • School of Applied Sciences, University of Glamorgan, Pontypridd, Mid-Glamorgan, CF37 1DL, UK
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/ Reef Morse
  • Corresponding author
  • Department of Chemistry, Illinois State University, Normal, IL 61790-4160, USA
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Published Online: 2009-01-01 | DOI: https://doi.org/10.1351/pac200678030613

In this document, we define a data exchange format initially formulated from discussions of an International Union of Pure and Applied Chemistry (IUPAC) limited-term task group at the 35th Royal Society of Chemistry-ESR conference in Aberdeen 2002. The definition of this format is based on the IUPAC Joint Committee on Atomic and Molecular Physical Data Exchange (JCAMPDX) protocols, which were developed for the exchange of infrared spectra and extended to chemical structures, nuclear magnetic resonance data, mass spectra, and ion mobility spectra. This standard of the JCAMP-DX was further extended to cover year 2000 compatible date strings and good laboratory practice, and the next release will cover the information needed for storing n-dimensional data sets. The aim of this paper is to adapt JCAMP-DX to the special requirements for electron magnetic resonance (EMR).

Keywords: data standard; EMR; EPR; ESR; IUPAC Committee on Printed and Electronic Publications; JCAMP-DX; recommendations; spectroscopy

Project Year: 1999, Project Code: 1999-046-2-024

About the article

Published Online: 2009-01-01

Published in Print: 2006-01-01

Citation Information: Pure and Applied Chemistry, Volume 78, Issue 3, Pages 613–631, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: https://doi.org/10.1351/pac200678030613.

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