Curve fitting using wavelet transform for resolving simulated overlapped spectra

被引:37
作者
Zhang, XQ [1 ]
Zheng, HB [1 ]
Gao, H [1 ]
机构
[1] NW Univ Xian, Inst Electroanalyt Chem, Xian 710069, Peoples R China
基金
中国国家自然科学基金;
关键词
curve fitting; wavelet transform; resolving overlapped spectra; simulated spectroscopic data;
D O I
10.1016/S0003-2670(01)01185-0
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Curve fitting must be considerably facilitated if reliable and accurate initial estimates of the number of peaks, individual peak positions, areas, and widths are known at the outset. The most important values for input to curve fitting route are the number of peaks and their positions. One of the main drawbacks involved is that as the bands become more overlapped, or the number of overlapped bands increases, the problem becomes progressively more ill-conditioned. As a consequence, small errors in the data, or errors in the estimates can be magnified, ultimately resulting in large errors in the final model. In addition, very high noise level of the analytical signal also has significant effect on the fitted results. In this work, curve fitting using wavelet transform for peak finding and an enhancement of signal-to-noise ratio was proposed, in which wavelet transform was performed prior to curve fitting to enhance noise level for subsequent fitting and to determine the number of peaks and corresponding parameters. Accordingly, the fitted conditions can be improved to the point that very accurate results could be acquired even for the simulated overlapped bands with higher noise level. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:117 / 125
页数:9
相关论文
共 27 条
[1]  
[Anonymous], 1988, SCIENTIST
[2]   Application of wavelet transforms to experimental spectra: Smoothing, denoising, and data set compression [J].
Barclay, VJ ;
Bonner, RF ;
Hamilton, IP .
ANALYTICAL CHEMISTRY, 1997, 69 (01) :78-90
[3]   COMPUTER RESOLUTION OF OVERLAPPING ELECTRONIC ABSORPTION-BANDS [J].
BARKER, BE ;
FOX, MF .
CHEMICAL SOCIETY REVIEWS, 1980, 9 (02) :143-184
[4]   HIGHER DERIVATIVE ANALYSIS OF COMPLEX ABSORPTION SPECTRA [J].
BUTLER, WL ;
HOPKINS, DW .
PHOTOCHEMISTRY AND PHOTOBIOLOGY, 1970, 12 (06) :439-&
[5]   A GENERALIZED-APPROACH TO DERIVATIVE SPECTROSCOPY [J].
CAMERON, DG ;
MOFFATT, DJ .
APPLIED SPECTROSCOPY, 1987, 41 (04) :539-544
[6]   SYSTEMS OF CONVOLUTION EQUATIONS, DECONVOLUTION, SHANNON SAMPLING, AND THE WAVELET AND GABOR TRANSFORMS [J].
CASEY, SD ;
WALNUT, DF .
SIAM REVIEW, 1994, 36 (04) :537-577
[7]   ORTHONORMAL BASES OF COMPACTLY SUPPORTED WAVELETS [J].
DAUBECHIES, I .
COMMUNICATIONS ON PURE AND APPLIED MATHEMATICS, 1988, 41 (07) :909-996
[8]  
DEWEIJER AP, 1994, ANAL CHEM, V66, P22
[9]   Improved curve resolution of highly overlapping bands by comparison of fourth-derivative curves [J].
Fleissner, G ;
Hage, W ;
Hallbrucker, A ;
Mayer, E .
APPLIED SPECTROSCOPY, 1996, 50 (10) :1235-1245
[10]   DECONVOLUTION AND CURVE-FITTING IN THE ANALYSIS OF COMPLEX SPECTRA - THE CH STRETCHING REGION IN INFRARED-SPECTRA OF COAL [J].
FRIESEN, WI ;
MICHAELIAN, KH .
APPLIED SPECTROSCOPY, 1991, 45 (01) :50-56