Sunday, September 23, 2007

Chemical Markup Language for spectra: the JCIM publication

Stefan Kuhn wrote a paper on the use of the Chemical Markup Language for markup of spectra: Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data (doi:10.1021/ci600531a).

The abtract:
    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.

Various projects from the authors already put CMLSpect in production use, such as the NMRShiftDB, Bioclipse, JSpecView.