Web Release Date: September 22,
Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data
and
Cologne University Bioinformatics Center (CUBIC), Cologne, Germany, University of the West Indies, Mona Campus, Jamaica, Unilever Centre for Molecular Informatics, Cambridge, U.K., and Department of Chemistry, Imperial College London, London, U.K.
Received November 24, 2006
Abstract:
CMLSpect is an extension of Chemical Markup Language (CML) for managing spectral and other analytical data. It is designed to be flexible enough to contain a wide variety of spectral data. The paper describes the CMLElements used and gives practical examples for common types of spectra. In addition it demonstrates how different views of the data can be expressed and what problems still exist.
Download the full text: PDF | HTML
