Abstracts

The study of atmospheric characteristics is closely connected with fundamental molecular properties. Molecular spectral properties are directly related to molecular composition and largely condition their behavior. Significant amount of data which is indispensable when working with spectra sets, determines the problems of gathering, storage, and delivery of relevant information to the users.

Information resource creation was initiated yet early in the twentieth century. However, the requirements of applied problems have completely changed the approach to forming the information resources on molecular spectroscopy. First of all, it is worth emphasizing the works of L. Rotman on HITRAN data bank creation. Having become in many respects the standard of spectral data ordering, it is still the main data source on molecular spectroscopy. There were attempts to exceed the limits of the ideas laid in HITRAN. Thus, beginning with the 80s, the Institute of Atmospheric Optics SB RAS has conducted works on data structure extension [1].

The early 90s have brought with them the information systems [2] that operate at the client workplace. Outbreak of Internet technologies allowed one more step in the development of information systems on molecular spectroscopy. The information resource available in the Internet (http://spectra.iao.ru) is based on the known spectroscopic Hitran and Geisa databases [3]. The majority of the problems solved by the Information-Computational System were connected with the search of information on molecules and constructing the spectra of non-isolated molecules. Metadata description within these information systems was done by the limited means of the HTML language.

The report is devoted to description of the data structure that we suggest for working with spectroscopic data in the field of atmospheric molecular spectroscopy. Introduction of the data of this format followed the analysis of the ontology built on molecular spectroscopy.

The developing digital sciences are based on three-level architecture: the level of data and computations, informational level, and the level of knowledge [4]. Most works on molecular spectroscopy computerization accomplished earlier were concentrated on creation of data sets and computation methods to process them. The development of open XML, RDF, and OWL standards for description of data, resources, and ontologies originated the informational level and the level of knowledge.

The report presents the results of structuring the spectral data with the XML tools. For the subject oriented terms the terminology thesaurus is created (XML-schema). The structures are pointed out that are used for description of data in molecular spectroscopy and its interrelation.

Special attention is paid to the description of information resources on spectroscopy created while working in the information system Atmospheric Spectroscopy.

The authors would like to acknowledge the Russian Foundation for Basic Research (grant 02-07-00139) for financial support.

References

1. Voitsekhovskaya O.K., Makushin Yu.S., et al. Proceedings of 6 All-Union Symposium on High and Ultra-High Resolution Molecular Spectroscopy, Tomsk, 1982, Vol. 2, P.42-44.
2. Golovko V.F., et al. Information System AIRSENTRY for modeling atmospheric IR-spectra and radiation transmission in the atmosphere, ADBIS’95 Proc. The 2-nd Int. Workshop, v.2, Moscow, 1995, P.12-14.
3. Babikov Yu.L., et al. Internet Collections on Molecular Spectroscopy. Proceedings of 3 All-Russian Conference Digital Libraries, Petrozavodsk, 2001, P.183-187.
4. David De Roure, Nicholas Jennings, Nigel Shadbolt, A Future e-Science Infrastructure, http://www.nesc.ac.uk/technical_papers/DavidDeRoure.etal.SemanticGrid.pdf

Note. Abstracts are published in author's edition

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