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提出一种对色谱 光谱二维数据进行信息处理的全新手段———断层扫描分析法。它以逐层“剥离”的方式对二维数据进行“断层扫描” ,并结合褶合曲线分析理论进行数据挖掘 ,可实现色谱峰纯度检验和归属判定、重叠色谱峰解析与定量分析等功能 ,并最终获得分析体系的全部定性定量信息。本文介绍了断层扫描分析法用于定性分析的原理及其在实验体系中的应用情况。结果表明 :断层扫描分析法用于定性分析可实现色谱峰定性 (归属 )鉴别、纯度检验以及选择性区域的识别等 ,在中药等复杂体系的分析中具有重要的研究意义和良好的应用前景。
A new method of information processing of two-dimensional chromatographic spectrum data is proposed --- tomographic analysis. It performs “tomography” of two-dimensional data by layer-by-layer “peel-off” method and data mining based on the theory of convolutive curve analysis. It can perform the functions of chromatographic peak purity test, ownership determination, overlapping chromatographic peak analysis and quantitative analysis, And finally get all the qualitative and quantitative information of the analysis system. This paper introduces the principle of tomographic analysis for qualitative analysis and its application in the experimental system. The results show that the method of qualitative analysis can be used for the qualitative analysis of chromatographic peaks (including attribution), purity test and selective region identification. It has important research significance and good application prospects in the analysis of complex systems such as traditional Chinese medicine.