Investigation of a genetic algorithm based cubic spline smoothing for baseline correction of Raman spectra
He, Shixuan1; Fang, Shaoxi1; Liu, Xiaohong2; Zhang, Wei1; Xie, Wanyi1; Zhang, Hua1; Wei, Dapeng1; Fu, Weiling2; Pei, Desheng1
刊名CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
2016-03-15
卷号152页码:1-9
关键词Raman Spectra Baseline Correction Genetic Algorithm Cubic Spline Smoothing Gacspline
ISSN号0169-7439
DOI10.1016/j.chemolab.2016.01.005
英文摘要

Raman spectral analysis has been seriously influenced by the undesired signals such as background from samples themselves or other interfering materials. Many mathematic algorithms have been proposed to eliminate the background of Raman spectra. However, these methods require appropriate parameters for the Raman spectral baseline correction. Therefore, we propose a genetic algorithm based cubic spline smoothing (GaCspline) method for baseline correction of Raman spectra in this paper. Genetic algorithm has been applied to choose the spectral wavenumbers which belong to a background in non-Raman characteristic peak channels. Then, these suspected background wavenumbers are fitted with cubic spline smoothing method. The simulated results demonstrate that the proposed GaCspline baseline correction method is better than asymmetric least squares and adaptive iteratively reweighted penalized least squares methods in background elimination. And, when the real Raman spectra are treated by the GaCspline method, the results indicate that this method can well handle the complex background and keep the Raman characteristic features as well. (C) 2016 Elsevier B.V. All rights reserved.

资助项目National Natural Science Foundation of China[21507131] ; National Natural Science Foundation of China[21207165] ; National Natural Science Foundation of China[61575196] ; Youth Innovation Promotion Association of CAS[2015316] ; National High Technology Research and Development Program of China (863 Program)[2015AA021107] ; Chinese Academy of Sciences ; Key Application and Development Program of Chongqing[cstc2014yykfC20004] ; Key Application and Development Program of Chongqing[cstc2015shmszxX0002]
WOS研究方向Automation & Control Systems ; Chemistry ; Computer Science ; Instruments & Instrumentation ; Mathematics
语种英语
出版者ELSEVIER SCIENCE BV
WOS记录号WOS:000372941400001
内容类型期刊论文
源URL[http://119.78.100.138/handle/2HOD01W0/2399]  
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作者单位1.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing Key Lab Multiscale Mfg Technol, Chongqing 400714, Peoples R China
2.Third Mil Med Univ, Dept Lab Med, Southwest Hosp, Chongqing 400038, Peoples R China
推荐引用方式
GB/T 7714
He, Shixuan,Fang, Shaoxi,Liu, Xiaohong,et al. Investigation of a genetic algorithm based cubic spline smoothing for baseline correction of Raman spectra[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,2016,152:1-9.
APA He, Shixuan.,Fang, Shaoxi.,Liu, Xiaohong.,Zhang, Wei.,Xie, Wanyi.,...&Pei, Desheng.(2016).Investigation of a genetic algorithm based cubic spline smoothing for baseline correction of Raman spectra.CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,152,1-9.
MLA He, Shixuan,et al."Investigation of a genetic algorithm based cubic spline smoothing for baseline correction of Raman spectra".CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS 152(2016):1-9.
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