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    差分拉曼光谱技术结合K-means聚类法对牙膏的快速分类

    Rapid Classification of Toothpaste by Differential Raman Spectroscopy Combined with K-means Clustering Method

    • 摘要: 建立了差分拉曼光谱技术结合K-means聚类法对牙膏快速分类的方法。对37个牙膏样品编号,将其分别涂抹于载玻片上,晾干,使用差分拉曼光谱仪进行扫描。调用R语言软件中fpc、factoextra、cluster数据库中的na.omit和scale函数对37个牙膏样品的差分拉曼光谱数据进行标准化处理,利用手肘法和Gap Statistic算法优化聚类数。在最佳聚类数为4的条件下,通过K-means聚类法对牙膏样品进行分类,并使用层次聚类分析法进行验证。结果显示,37个牙膏样品被分为4类,并且两种方法的分类结果一致。

       

      Abstract: A method for rapid classification of toothpaste by differential Raman spectroscopy combined with K-means clustering method. 37 toothpaste samples numbered were smeared on slides and dried for scanning by differential Raman spectrometer. Functions of na.omit and scale in databases of fpc, factoextra and cluster in R language software were used to standardize the differential Raman spectral data of 37 toothpaste samples, and the elbow method and Gap Statistic algorithm were used to optimize the cluster number. Under the optimal cluster number of 4, the 37 toothpaste samples were classified by K-means clustering method and verified by hierarchical cluster analysis. It was showed that 37 toothpaste samples were divided into 4 categories, and the classification results of the two methods were consistent.

       

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