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红外光谱法是一种十分有效的定性和结构分析方法。它广泛适用于分析气体、液体和固体样品。然而除了十分有经验的光谱工作者外,识别和解析这类光谱通常是很困难的。随着计算机的发展和普及,人们开始试图将它用于这项工作。近年来计算机辅助解析红外光谱的工作已取得了一些进展,例如已为NICOLET FT-IR系统采用的PAIRS程序和PERKIN-ELMER数据站的SEARCH-2程序。但解析结果尚不能令人十分满意。本文介绍了我们的红外光谱自动解析系统(IRIS)。
Infrared spectroscopy is a very effective method of qualitative and structural analysis. It is widely used for analyzing gas, liquid and solid samples. However, in addition to the very experienced spectral workers, identifying and resolving such spectra is often difficult. As the computer grew and spread, people started trying to use it for this job. In recent years, advances have been made in computer-aided interpretation of infrared spectroscopy, such as the PAIRS program that has been adopted for the NICOLET FT-IR system and the SEARCH-2 program for the PERKIN-ELMER data station. However, the analytical results are not yet very satisfactory. This article describes our Infrared Spectroscopy Automated Analysis System (IRIS).