28 No. 3
JCAMP-DX for Electron Magnetic Resonance (IUPAC Recommendations 2006)
Richard Cammack, Yang Fann, Robert J. Lancashire, John P. Maher, Peter S. McIntyre, and Reef Morse
Pure and Applied Chemistry
Vol. 78, No. 3, pp. 613–631 (2006)
The Joint Committee on Atomic and Molecular Physical data-Data eXchange (JCAMP-DX) is an evolving, open-ended, machine-independent, self-documenting file format for exchanging and archiving data from computerized laboratory instruments such as spectrometers and diffractometers whose output is commonly represented as spectral (profile) plots, contours, or peak tables. The first JCAMP-DX protocol was designed to meet the need for exchanging infrared spectra between similar instruments of different manufacturers. The present document is the result of ongoing efforts by users and manufacturers to extend JCAMP-DX to other types of instrumental data.
A major objective of JCAMP-DX is to enable routine capture of data at the source to make it available for exchange, archiving, and entry into databases. All data are represented as labeled fields of variable length using printable ASCII characters. A JCAMP-DX file is a text file that can be viewed, corrected, and annotated with ASCII text editors. Use of the name JCAMP-DX in the description of software capability implies the ability to generate and read JCAMP-DX files as defined in the relevant published protocols for a particular datatype.
This version of JCAMP-DX provides for a description of the file structure to be used to accommodate a very wide range of electron magnetic resonance applications. As much as it is very desirable for instrument data systems to be able to read and write files in a standard format directly, instrument vendors are encouraged to develop JCAMP-DX software for the instruments they currently support. This standard of the JCAMP-DX was further extended to cover Y2K-compatible date strings and good laboratory practice, and the next release will cover the information needed for storing n-dimensional data sets.
last modified 25 April 2007.
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