光学学报, 2016, 36 (12): 1230001, 网络出版: 2016-12-14
拉曼光谱结合多变量统计方法在无损区分寿山石和老挝石中的应用 下载: 515次
Nondestructive Discrimination of Shoushan Stone and Laos Stone Based on Raman Spectroscopy and Multivariate Methods
光谱学 拉曼光谱 无损鉴别 主成分分析 寿山石 老挝石 spectroscopy Raman spectroscopy nondestructive identification principal component analysis Shoushan stone Laos stone
摘要
利用自行研制的便携式拉曼光谱仪(Hx-Spec)对高山石类寿山石(13组)和老挝石(22组)进行了分类判别分析。Hx-Spec拉曼光谱仪的激发波长785 nm, 光谱范围200~2700 cm-1, 分辨率6 cm-1。结合主成分分析(PCA)和线性判别分析(LDA)建立多元统计算法模型, 将老挝石从高山石类寿山石中区别出的特异性和灵敏度分别为100%与86.7%, 受试样品工作特征(ROC)曲线下面积为0.977。另外, 加入8个新样品作为验证, 判别正确率为87.5%。研究表明, 自行研制的便携式拉曼光谱仪结合PCA-LDA统计分析方法有望用于区分高山石类寿山石和老挝石。
Abstract
The Raman spectra of 35 stone samples (13 Shoushan stones and 22 Laos stones) are measured by a self-developed portable Raman spectrometer Hx-Spec, which is excited by a 785 nm diode laser and the spectrum range is 200-2700 cm-1 with a resolution of 6 cm-1. A multioariate model is established by combining the principal component analysis (PCA) and the linear discriminant analysis (LDA), a discrimination sensitivity of 86.7% and a specificity of 100% are achieved in separating Laos stone from Shoushan stone, while the performance of corresponding receiver operating characteristic (ROC) curve is 0.977. Besides, a discriminant accuracy achieves 87.5% after 8 new samples are added as a validation. These results demonstrate that the utility of portable Raman spectrometer combined with chemometrics provides a new strategy to discriminate the Shoushan and Laos stones.
李夏, 黄梅珍, 宋彪, 邹烨, 陈婕, 汪洋. 拉曼光谱结合多变量统计方法在无损区分寿山石和老挝石中的应用[J]. 光学学报, 2016, 36(12): 1230001. Li Xia, Huang Meizhen, Song Biao, Zou Ye, Chen Jie, Wang Yang. Nondestructive Discrimination of Shoushan Stone and Laos Stone Based on Raman Spectroscopy and Multivariate Methods[J]. Acta Optica Sinica, 2016, 36(12): 1230001.