Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data
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- 作者：Stefan Kuhn ; Tobias Helmus ; Robert J. Lancashire ; Peter Murray-Rust ; Henry S. Rzepa ; Christoph Steinbeck ; Egon L. Willighagen
- 刊名：Journal of Chemical Information and Modeling
- 出版年：2007
- 出版时间：November 2007
- 年：2007
- 卷：47
- 期：6
- 页码：2015 - 2034
- 全文大小：847K
- 年卷期：v.47,no.6(November 2007)
- ISSN：1549-960X
文摘
CMLSpect is an extension of Chemical Markup Language (CML) for managing spectral and other analyticaldata. It is designed to be flexible enough to contain a wide variety of spectral data. The paper describes theCMLElements used and gives practical examples for common types of spectra. In addition it demonstrateshow different views of the data can be expressed and what problems still exist.