Abstract:As one of the necessary steps for data processing of Raman spectroscopy, baseline correction is commonly used to eliminate the interference of fluorescence spectra. The traditional baseline correction algorithm based on polynomial fitting is simple and easy to implement, but its flexibility is poor due to the uncertain fitting order. In this paper, instead of using polynomial fitting, non-uniform B-spline is proposed to overcome the shortcomings of the traditional method. Based on the advantages of the traditional algorithm, the node vector of non-uniform B-spline is fixed adaptively using the peak position of the original Raman spectrum, and then the baseline is fitted with the fixed order. In order to verify this algorithm, the Raman spectra of parathion-methyl and colza oil are detected and their baselines are corrected using this algorithm, the result is made comparison with two other baseline correction algorithms. The experimental results show that the effect of baseline correction is improved by using this algorithm with a fixed fitting order and less parameters, and there is no over or under fitting phenomenon. Therefore, non-uniform B-spline is proved to be an effective baseline correction algorithm of Raman spectroscopy.
Key words:Raman spectroscopy;Baseline correction;Non-uniform B-spline;Node vector;Peak position
范贤光,王海涛,王 昕*,许英杰,王秀芬,阙 靖 . 基于非均匀B样条的拉曼光谱基线校正算法 [J]. 光谱学与光谱分析, 2016, 36(03): 724-728.
FAN Xian-guang, WANG Hai-tao, WANG Xin*, XU Ying-jie, WANG Xiu-fen, QUE Jing . Baseline Correction Algorithm for Raman Spectroscopy Based on Non-Uniform B-Spline. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(03): 724-728.
[1] CHU Xiao-li(褚小立). Molecular Spectroscopy Analytical Technology Combined with Chemometrics and Its Applications(化学计量学方法与分子光谱分析技术). Beijing: Chemical Industry Press(北京:化学工业出版社), 2011. 311. [2] McCreer R L. Raman Spectroscopy for Chemical Analysis. Wiley-Interscience, 2000. [3] FENG Xin-wei, ZHU Zhong-liang, SHEN Meng-jie, et al. Computer and Applied Chemsity, 2009, 26(6): 759. [4] Jagtiani A V, Sawant R, Carletta J. Measurement Science and Technology, 2008, 19(6): 1. [5] O’Grady A, Dennis AC, Denvir D. Analytical Chemistry, 2001, 73: 2058. [6] Piegl L, Tiller W. The NURBS Book(非均匀有理B样条). Translated by ZHAO Gang, MU Guo-wang, WANG La-zhu(赵 罡,穆国旺,王拉柱,译). Beijing: Tsinghua University Press(北京:清华大学出版社), 2010. 60. [7] GUO Jian-feng, ZHU Chang-qing(郭建峰,朱长青). Engineering of Surveying and Mapping(测绘工程),2000, 9(4): 25. [8] SHI Fa-zhong(施法中). CAGD & NURBS(计算机辅助几何设计与非均匀有理B样条). Beijing: Higher Education Press(北京:高等教育出版社), 2013. 303. [9] Du P, Kibbe W A, Lin S M. Bioinformatics, 2006, 22: 2059. [10] Daubechies I. Ten Lectures on Wavelets(小波十讲). Translated by LI Jian-ping(李建平,译). Beijing: National Defense Industry Press(北京:国防工业出版社),2011. [11] SUN Yan-kui(孙延奎). Wavelet Analysis and Applications. Beijing: China Machine Press,2005. [12] Yang C, He Z Y, Yu W C. BMC Bioinformatics,2009. 10. [13] Zhang Z M, Chen S, Liang Y Z, et al. Journal of Raman Spectroscopy, 2010, 41: 659.