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Delaunay triangulation方法用于近红外光谱的定量分析

发表时间:2010-03-15  浏览量:1460  下载量:464
全部作者: 李艳坤,徐恒,蔡文生,邵学广
作者单位: 南开大学化学学院分析科学研究中心
摘 要: Delaunay三角网格(Delaunay triangulation,DT)是一种构建空间网格的方法。采用DT方法在偏最小二乘法(partial least squares, PLS)主成分(principal component, PC)空间中构建网格,用于样本相似性的判别,实现了一种近红外(near-infrared, NIR)光谱的定量分析方法。该方法快速、简单且无需构建校正模型。将建立的方法应用于玉米样品中水分、油、蛋白质以及淀粉含量的预测,结果表明该方法能够有效地应用于近红外光谱的定量分析。
关 键 词: 分析化学;近红外光谱;定量分析;偏最小二乘法;Delaunay三角网格
Title: Application of delaunay triangulation method in near infrared spectral analysis
Author: LI Yankun, XU Heng, CAI Wensheng, SHAO Xueguang
Organization: Research Center for Analytical Sciences, College of Chemistry, Nankai University
Abstract: Delaunay triangulation (DT) is a method to construct space mesh. The proposed method constructs DT mesh of near-infrared (NIR) spectral data in the principal component (PC) space of partial least squares (PLS) for distinguishing the similarity of samples. The method named as PLS-PC-DT is introduced into quantitative analysis of NIR spectral data. PLS-PC-DT is a fast and simple method. Furthermore, it is no need to construct the calibration model. When applied to predict the moisture, oil, protein and starch values of the corn samples, the result indicates that the proposed method provides an effective tool for the quantitative analysis of the NIR spectral data.
Key words: analytical chemistry; near-infrared spectroscopy; quantitative analysis; partial least squares; Delaunay triangulation
发表期数: 2010年3月第5期
引用格式: 李艳坤,徐恒,蔡文生,等. Delaunay triangulation方法用于近红外光谱的定量分析[J]. 中国科技论文在线精品论文,2010,3(5):457-461.
 
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