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Rapid On-site identification of geographical origin and storage age of tangerine peel by Near-infrared spectroscopy

主成分分析 近红外光谱 分光计 线性判别分析 马氏距离 离群值 化学 数据集 平滑的 模式识别(心理学) 异常检测 化学计量学 偏最小二乘回归 聚类分析 分析化学(期刊) 人工智能 生物系统 数学 计算机科学 统计 色谱法 光学 物理 生物
作者
Shaowei Pan,Xin Zhang,Wanbang Xu,Jianwei Yin,Hongyu Gu,Xiangyang Yu
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:271: 120936-120936 被引量:76
标识
DOI:10.1016/j.saa.2022.120936
摘要

The feasibility of identifying geographical origin and storage age of tangerine peel was explored by using a handheld near-infrared (NIR) spectrometer combined with machine learning. A handheld NIR spectrometer (900-1700 nm) was used to scan the outer surface of tangerine peel and collect the corresponding NIR diffuse reflectance spectra. Principal component analysis (PCA) combined with Mahalanobis distance were used to detect outliers. The accuracies of all models in the anomaly set were much lower than that in calibration set and test set, indicating that the outliers were effectively identified. After removing the outliers, in order to initially explore the clustering characteristics of tangerine peels, PCA was performed on tangerine peels from different origins and the same origin with different storage ages. The results showed that the tangerine peels from the same origin or the same storage age had the potential to cluster, indicating that the spectral data of the same origin or the same storage age had a certain similarity, which laid the foundation for subsequent modeling and identification. However, there were quite a few samples with different origins or different storage ages overlapped and could not be distinguished from each other. In order to achieve qualitative identification of origin and storage age, Savitzky-Golay convolution smoothing with first derivative (SGFD) and standard normal variate (SNV) were used to preprocess the raw spectra. Random forest (RF), K-nearest neighbor (KNN) and linear discriminant analysis (LDA) were used to establish the discriminant model. The results showed that SGFD-LDA could accurately distinguish the origin and storage age of tangerine peel at the same time. The origin identification accuracy was 96.99%. The storage age identification accuracy was 100% for Guangdong tangerine peel and 97.15% for Sichuan tangerine peel. This indicated that the near-infrared spectroscopy (NIRS) combine with machine learning can simultaneously and rapidly identify the origin and storage age of tangerine peel on site.
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