ON PRINTED AND ELECTRONIC PUBLICATIONS
WORKING PARTY ON SPECTROSCOPIC DATA STANDARDS (JCAMP-DX)
JCAMP-DX. A standard format for the exchange of ion mobility spectrometry
data (IUPAC Recommendations 2001)
Jörg Ingo Baumbach, Antony
N. Davies1, Peter Lampen, and Hartwig Schmidt
ISAS, Institut für Spektrochemie und Angewandte
Spektroskopie, Bunsen-Kirchhoff-Strasse 11, 44139 Dortmund, Germany
Abstract: The relatively young field of ion mobility spectrometry
has now advanced to the stage where the need to reliably exchange the
spectroscopic data obtained worldwide by this technique has become extremely
urgent. To assist in the validation of the various new spectrometer
designs and to assist in inter-comparisons between different laboratories
reference data collections are being established for which an internationally
recognized electronic data exchange format is essential.
To make the data exchange between users and system administration possible,
it is important to define a file format specially made for the requirements
of ion mobility spectrometry. The format should be computer readable
and flexible enough for extensive comments to be included. In this document,
we define a data exchange format, agreed on by a working group of the
International Society for Ion Mobility Spectrometry at Hilton Head Island,
USA (1998) and Buxton, UK (1999).
This definition of this format is based on the IUPAC JCAMP-DX protocols,
which were developed for the exchange of infrared spectra  and extended
to chemical structures , nuclear magnetic resonance data , and
mass spectra . This standard of the Joint Committee on Atomic and
Molecular Physical Data is of a flexible design. The International Union
of Pure and Applied Chemistry have taken over the support and development
of these standards and recently brought out an extension to cover year
2000 compatible date strings and good laboratory practice . The aim
of this paper is to adapt JCAMP-DX to the special requirements of ion
mobility spectra .
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