Distributed information system on atmospheric spectroscopy (original) (raw)

Distributed information system on molecular spectroscopy

2006

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds ofmillions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We find information systems to be an adequate form for holding such data volumes and a toolkit for handThig them. Correct digital data processing requires appropriate sets ofmetadata arranged in the form ofoiltology ofmolecular spectroscopy.

Distributed information system on molecular spectroscopy - art. no. 65800W

15th Symposium on High-Resolution Molecular Spectroscopy, 2006

The urgency of creating the information-computational systems (ICS) on molecular spectroscopy follows from the circumstance that for some molecules the number of calculated energy levels counts hundreds of thousands, and the number of spectral lines sometimes reaches hundreds ofmillions. Publication of such data volumes in regular journals is inappropriate. Comparison of different calculated spectral characteristics or their comparison with experimental data beyond computer processing is hopeless. We find information systems to be an adequate form for holding such data volumes and a toolkit for handThig them. Correct digital data processing requires appropriate sets ofmetadata arranged in the form ofoiltology ofmolecular spectroscopy.

Semantic metadata application for information resources systematization in water spectroscopy

(1) Institute of atmospheric optics SB RAS, Integrated information systems center, Tomsk, Russian Federation (faz@iao.ru), (2) University College London, London, UK The information and knowledge layers of information-computational system for water spectroscopy are described. Semantic metadata for all the tasks of domain information model that are the basis of the layers have been studied. The principle of semantic metadata determination and mechanisms of the usage during information systematization in molecular spectroscopy has been revealed. The software developed for the work with semantic metadata is described as well.

Information system for molecular spectroscopy. 1. Structure of information resources

The data model used in the information system for molecular spectroscopy (http://saga.atmos. iao.ru) is described. The principal parts of the data model are fundamental molecular characteristics, spectral line parameters, and spectral functions. The data input system, allowing users to create their own data sets, is described. The relations between the parts of the data model are demonstrated by calculation of the absorption coefficient as an example.

Information system for molecular spectroscopy. 3. Molecular energy levels

Atmospheric and Oceanic Optics

A part of the information system for molecular spectroscopy based on problem ontology is described. Two problems (direct and inverse) of determination of molecular energy levels are considered. The database related to these problems is compiled for two triatomic molecules: water vapor and hydrogen sulfide, as well as their isotopic modifications.

Computed Knowledge Base for Quantitative Spectroscopy

A knowledge base for an ontological search and integration and systematization of information resources for quantitative molecular spectroscopy is described. The knowledge base is presented in the form of applied ontologies used for solving the foregoing tasks. A data model needed for realization of the information system in quantitative spectroscopy is developed. We have modeled the subject domain in question on the basis of a set of publications from different journals on molecular spectroscopy. The properties inherent to the tasks associated with quantitative spectroscopy are defined. To this end, use is made of the OWL DL language. Information sources characterizing the properties of the tasks under consideration enable solutions of spectroscopic tasks to be classified and a semantic search for valid data to be organized.

Data and Metadata Schemes in Chains of Direct and Inverse Problems in Spectroscopy of Water

This report describes the stage of cooperated work dedicated to the creation of information sources and data upload. In the framework of Semantic Grid 8 paradigm for information system creation, its three-layer model has been selected. It consists of data and calculations layer, information layer and knowledge layer. In this article we describe only the data layer. The details of description of information layer and information system (on water spectroscopy) knowledge layer are presented in Ref. 5;6.