The information-computational system (ICS) “Atmospheric molecular spectroscopy” is designed and implemented. The site (http://saga.atmos.iao.ru) being a part of the atmospheric sciences portal is a web interface for the ICS. The mirror of the site is opened in S.Petersburg university (http://saga.molsp.phys.spbu.ru/).
The databases of spectral lines parameters and absorption coefficients are the basis of this ICS. Main data sources of the system are databank HITRAN and GEISA. Original data of the Institute of atmospheric optics SB RAS include the absorption lines of H2S (more than 36000 lines) in spectral interval 2100 - 16000 cm-1 and water vapour (more than 30000 lines) in spectral interval 8000 – 25000 cm-1. The original results of calculation of water vapour and H2S line broadening by nitrogen and oxygen pressure in spectral interval 0-24000 cm-1 are firstly presented.
The application of experimental molecular spectra processing (for temperature less than 1000K) is included in the ICS. The one allows to form high resolution line list, containing more than 10000 lines, practically without the human participation. The applications for calculation of absorption coefficients both for pure gases and for binary mixtures are also services of the ICS. The user can calculate the absorption coefficient for the wide region of thermodynamical conditions, various types of line contours and the set of spectral lines parameters.
ICS is implemented in the framework of original middleware which was designed for making the atmospheric sciences portal (http://atmos.iao.ru).
The high end scientific graphics which were used in ICS include two Java-applets for typical data presentation an specialized applet for processing the experimental spectra.
The first version of web service for metadata exchange in distributed informational system is designed. One includes facilities for forming, keeping and modifying metadata lists, facility for creating metadata and metadata exchange between the sites.
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