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| 偏最小二乘法方法在光谱定性分析中的应用研究 | |
| 引用本文： | 褚小立,许育鹏,陆婉珍. 偏最小二乘法方法在光谱定性分析中的应用研究[J]. 现代仪器, 2007, 13(5): 13-15,6 |
| 作者姓名： | 褚小立 许育鹏 陆婉珍 |
| 作者单位： | 石油化工科学研究院,北京,100083 |
| 基金项目： | 中国石化集团公司资助项目 |
| 摘 要： | 传统的光谱多元定性方法大都基于主成分分析(PCA),即首先将光谱进行PCA降维并选取特征变量后,再进行聚类或判别分析。近年来,用于光谱多元定量校正的偏最小二乘法(PLS)也被越来越多地用于定性分析中,并得到更优的结果。本文以实例介绍PLS方法在光谱模式识别以及建立定量模型适用性判据等方面的应用,其有望成为一种常用的光谱定性方法。 |
| 关 键 词： | 偏最小二乘法 化学计量学 主成分分析 模式识别 光谱定性分析 |
The study of use of partial least squares in spectroscopy qualitative analysis |
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| Chu Xiaoli,Xu Yupeng,Lu Wanzhen. The study of use of partial least squares in spectroscopy qualitative analysis[J]. Modern Instruments, 2007, 13(5): 13-15,6 | |
| Authors: | Chu Xiaoli Xu Yupeng Lu Wanzhen |
| Affiliation: | Research Institute of Petroleum Processing, Beijing 100083, China |
| Abstract: | In this paper, the applications of partial least squares method in spectroscopy multivariate qualitative analysis, such as discriminant analysis and outliers detection of quantitative calibration models, were introduced based on several examples. Compared with the traditional principal component analysis method, partial least squares discriminant analysis method usually gives better results. |
| Keywords: | Partial least squares Chemometrics Principal component analysis Pattern recognition Spectroscopy analysis |
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