Title: Data exchange standard for electron paramagnetic
resonance data types (incl. ESR EMR etc.)
Chairman: R. J.
Cammack, Y.C. Fann,
J. P. Maher, P.
McIntyre and R. Morse
Completion Date: 2006 - project completed
To develop, document and validate a new JCAMP-DX spectroscopic data
exchange standard for Electron Paramagnetic Resonance (EPR), Electron
Spin Resonance (ESR) and Electron Magnetic Resonance (EMR) data sets.
This will standardize the data dictionary for this type of spectroscopy
- a necessary prerequisite for any chemical markup language development
work in this field.
A number of requests have been received for IUPAC to organize a Task
Group to develop, document and validate a new JCAMP-DX spectroscopic
data standard for Electron Paramagnetic Resonance (EPR), Electron
Spin Resonance (ESR), Electron Magnetic Resonance (EMR) data sets.
This will bring these techniques into line with the IUPAC/JCAMP-DX
standards already developed for infrared spectroscopy, mass spectrometry,
nuclear magnetic resonance spectroscopy, ion mobility spectrometry
and chemical structures. The project will also benefit from a parallel
project currently underway on nD-NMR Spectroscopy (> Project
The main thrust of the project will be to define a data
dictionary of the relevant terms and operating parameters essential
to reporting this types of spectroscopy. This work will be carried
out in cooperation with the spectrometer manufacturers in this field,
and the final data standard will be implemented by these manufacturers
to facilitate electronic data exchange.
A number of volunteers have come forward including EPR
software companies, and academic users, to carry out the necessary
The protocol describing the standard will be published,
as with others in this series, as a IUPAC Recommendation in Pure
and Applied Chemistry.
The task group met in Aberdeen in April 2002 at the 35th Annual International
Meeting of the RSC ESR Group.
Sep 2005 - A manuscript on EMR is being prepared
for publication in Pure Appl. Chem. A final document is submitted
to public review comments until 31 January 2006.
> see provisional
Project completed - IUPAC Recommendations published
78(3), 613-631, 2006
Last Update: 14 March 2006