光谱学与光谱分析, 2016, 36 (7): 2036, 网络出版: 2016-12-23
ATR-THz波谱结合PLS-DA对陈化小麦快速无损鉴别研究
Research on Rapid and Non-Destructive Identification of Aging Wheat Based on ATR-Terahertz Spectroscopy Combined with PLS-DA
太赫兹波谱 衰减全反射 小麦 综合得分 判别分析 Terahertz spectroscopy Attenuated total reflection Wheat Composite score Discriminant analysis
摘要
采用ATR附件采集了人工控制条件老化小麦样品的太赫兹波谱数据, 并在PCA综合得分基础上对数据进行分集, 建立陈化小麦的快速无损鉴别PLS-DA模型, 并对其进行外部验证。 结果显示, 针对吸收系数谱, 所建模型的校正集实验组、 对照组以及交互验证实验组、 对照组正确率分别为84.2%, 94.7%, 84.2%和81.6%, 外部验证集实验组、 对照组正确率分别为73.7%和100.0%; 针对折射率谱, 所建模型的校正集实验组、 对照组以及交互验证实验组、 对照组正确率分别为84.2%, 92%, 76.3%和76.3%, 外部验证集实验组、 对照组正确率分别为84.2%和89.5%。 研究表明, ATR-THz技术在陈化小麦无损鉴别方面具有一定的应用潜力。
Abstract
In this research, the terahertz spectra data of the aging wheat processed under manual control environment by ATR accessory were collected. After the data diversity based on the composite score by PCA, the non-destructive identification models of aging wheat were developed by PLS-DA algorithm. The results showed that for the absorption coefficient spectrum, the accuracy of the experimental group, control group of the calibration set and cross validation set were 84.2%, 94.7%, 84.2% and 81.6% respectively, while the accuracy of the experimental group and control group of the external validation set were 73.7% and 100.0% respectively; for the refractive index spectrum, the accuracy of the experimental group, control group of the calibration set and cross validation set were 84.2%, 92.0%, 76.3% and 76.3% respectively, while the accuracy of the experimental group and control group of the external validation set were 84.2% and 89.5% respectively. The research indicates that ATR-THz technology should be of great potentials in the application in the non-destructive identification of aging wheat.
王冬, 潘立刚, 刘龙海, 江元卿, 李安, 靳欣欣, 马智宏, 王纪华. ATR-THz波谱结合PLS-DA对陈化小麦快速无损鉴别研究[J]. 光谱学与光谱分析, 2016, 36(7): 2036. WANG Dong, PAN Li-gang, LIU Long-hai, JIANG Justin, LI An, JIN Xin-xin, MA Zhi-hong, WANG Ji-hua. Research on Rapid and Non-Destructive Identification of Aging Wheat Based on ATR-Terahertz Spectroscopy Combined with PLS-DA[J]. Spectroscopy and Spectral Analysis, 2016, 36(7): 2036.