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: 514次

Nondestructive Discrimination of Shoushan Stone and Laos Stone Based on Raman Spectroscopy and Multivariate Methods
作者单位
1 上海交通大学大学电子信息与电气工程学院仪器系, 上海 200240
2 上海智能诊疗仪器工程技术研究中心, 上海 200240
3 上海交通大学物理与天文系, 上海 200240
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.

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