光谱学与光谱分析 |
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Automatic Recognition of Overlapped Spectral Peaks by Combined Symmetric Zero-Area Conversion and L-M Fitting |
BI Yun-feng1,2, LI Ying2, DU Zeng-feng2, CHEN Liang2, ZHENG Rong-er2* |
1. College of Mechanicals, Electrical & Information Engineering, Shandong University, Weihai, Weihai 264209, China 2. Optics and Optoelectronics Laboratory, Ocean University of China, Qingdao 266100, China |
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Abstract The peaks’ overlapping often exists in Raman spectroscopy analysis, because of the low spectral resolution of the spectrograph and the complex sample components. The overlapped peaks lead to the errors in peak parameters extraction easily, and at last lead to the analysis error of sample components, which increases the difficulty in automatic analysis of field spectra. The identification of overlapped peaks is the key difficulty of in-situ spectra analysis. To solve this problem, an automatic method of identifying the overlapped peaks was established basing on an analysis model with multiple Gaussian shape peaks. The peak number and the initial parameters(the peak position, peak height, and width) were obtained by symmetric zero-area transformation firstly, and then the parameters were optimized by Levenberg-Marquardt fitting method eventually. Some algorithm experiments were executed to test the method respectively by simulated data and Raman spectra data, and the former showed that the symmetric zero-area transformation method can extract the initial peak parameters with high accuracy, and then converges fast, and is adaptive to signal with wide dynamic range of SNR , but has false and omissive peaks to low SNR signal. The research results show that the automatic method of identifying the overlapped peaks with symmetric zero-area transformation combined with L-M fitting has a certain practical value.
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Received: 2014-06-12
Accepted: 2014-09-25
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Corresponding Authors:
ZHENG Rong-er
E-mail: rzheng@ouc.edu.cn
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[1] SHANG Feng-jun, WANG Hai-xia, ZHOU Rong-sheng(尚凤军, 王海霞, 周蓉生). Computing Techniques For Geophysical and Geochemical Exploration(物探化探计算技术), 2000, 122(4): 364. [2] CHEN Liang, WEI Yi-xiang, QU Jian-shi(陈 亮, 魏义祥, 屈建石). J. Tsinghua Univ.·Sci.&Tech.(清华大学学报·自然科学版), 2009, 49(5): 635. [3] HUANG Hong-quan, HE Zi-shu, FANG Fang(黄洪全, 何子述, 方 方). Atomic Energy Science and Technology(原子能科学技术), 2010, 44(9): 1114. [4] Kenji Nagata, Seiji Sugita, Masato Okada. Neural Networks, 2012, 28: 82. [5] Peter J Isaacson, Carlé M Pieters. Icarus, 2010, 210 (1): 8. [6] Amneh Al-Mbaideen, Mohammed Benaissa. Analytica Chimica Acta, 2011, 705: 135. [7] HU Yao-gai, ZHANG Xiao-xing, ZHAO Zheng-yu, et al(胡耀垓,张晓星,赵正予,等). Journal of Chongqing University(重庆大学学报),2012, 35(5): 76. [8] Parastar H, Akvan N. Anal. Chim. Acta, 2014, 816: 18. [9] Li Hua, Hou Jianrong, Wang Kang, et al. Talanta, 2006, 70(2): 336. |
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