Influence of Spectral Pre-Processing on PLS Quantitative Model of Detecting Cu in Navel Orange by LIBS
LI Wen-bing1, YAO Lin-tao2, LIU Mu-hua1, HUANG Lin1, YAO Ming-yin1*, CHEN Tian-bing1, HE Xiu-wen1, YANG Ping1, HU Hui-qin1, NIE Jiang-hui1
1. Key Laboratory of Optics-Electrics Application of Biomaterials, College of Engineering, Jiangxi Agricultural University, Nanchang 330045, China 2. Jiangxi Academy of Agricultural Sciences, Nanchang 330200, China
Abstract：Cu in navel orange was detected rapidly by laser-induced breakdown spectroscopy (LIBS) combined with partial least squares (PLS) for quantitative analysis, then the effect on the detection accuracy of the model with different spectral data pretreatment methods was explored. Spectral data for the 52 Gannan navel orange samples were pretreated by different data smoothing, mean centralized and standard normal variable transform. Then 319~338 nm wavelength section containing characteristic spectral lines of Cu was selected to build PLS models, the main evaluation indexes of models such as regression coefficient (r), root mean square error of cross validation (RMSECV) and the root mean square error of prediction (RMSEP) were compared and analyzed. Three indicators of PLS model after 13 points smoothing and processing of the mean center were found reaching 0.992 8, 3.43 and 3.4 respectively, the average relative error of prediction model is only 5.55%, and in one word, the quality of calibration and prediction of this model are the best results. The results show that selecting the appropriate data pre-processing method, the prediction accuracy of PLS quantitative model of fruits and vegetables detected by LIBS can be improved effectively, providing a new method for fast and accurate detection of fruits and vegetables by LIBS.
Key words：Laser induced breakdown spectroscopy;PLS;Data pretreatment;Quantitative model
黎文兵1，药林桃2，刘木华1，黄 林1，姚明印1*，陈添兵1，何秀文1，杨 平1，胡慧琴1，聂江辉1 . 光谱预处理对LIBS检测脐橙中Cu的偏最小二乘定量模型影响 [J]. 光谱学与光谱分析, 2015, 35(05): 1392-1397.
LI Wen-bing1, YAO Lin-tao2, LIU Mu-hua1, HUANG Lin1, YAO Ming-yin1*, CHEN Tian-bing1, HE Xiu-wen1, YANG Ping1, HU Hui-qin1, NIE Jiang-hui1. Influence of Spectral Pre-Processing on PLS Quantitative Model of Detecting Cu in Navel Orange by LIBS. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2015, 35(05): 1392-1397.
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