The IR Spectrum Database System Research

With the information processing in the continuous development of new technologies, in the infrared spectrum data processing depth on the basis of information at home and abroad have developed a more concentrated, more knowledge of the infrared spectrum data analysis system. Shanghai Organic Chemistry by the chemical laboratory of computer IR database, containing nearly 150, 000 infrared spectrum, and infrared spectra corresponding chemical structure and compound name, and provides free web access service.As the preliminary work, papers on how to create a relational database management systems have been studied, completed the IR database management system infrastructure. And an increase of some on-line support services function of the building, concrete work can be divided into two parts:1. Analysis of IR database management system functions and user needs. Through engineering approach of the standard software, combining database management system needs to design the actual structure. According to the three screen-match idea, which are region number of strong peak, function group and peak position, are elucidated , then the similarity of each matched spectra can be calculated after peak and area matching.2. IR database online services Accessibility is studied. To achieve a spectrum of document format to identify and upload the conversion feature, can determine conversion three infrared spectrum file format of PRN, N.YY and ASC , convert the data in a unified format NYY. To achieve a simulation of the infrared spectrometer output and printing, Internet users can directly get in the infrared spectrum of simulation.The IR database management system functions and online services Accessibility are greatly convenient in using IR spectrum database.The thesis work is based on the platform of PC computer with the programming language of VC++/JAVA.