Automatic baseline recognition for the correction of large sets of spectra using continuous wavelet transform and iterative fitting

Applied Spectroscopy

Volumn 68, Issue 2, 2014, Pages 155-164

  Bertinetto, Carlo G ^a   Vuorinen, Tapani ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

Baseline correction; Continuous wavelet transform; CWT; High throughput spectroscopy; Iterative fitting; Raman imaging

Indexed keywords

BASELINE CORRECTION; CONTINUOUS WAVELET TRANSFORM; CWT; HIGH-THROUGHPUT; ITERATIVE FITTING; RAMAN IMAGING;

ALGORITHMS; ITERATIVE METHODS; PROCESS MONITORING;

WAVELET TRANSFORMS;

EID: 84893331575     PISSN: 00037028     EISSN: 19433530     Source Type: Journal    
DOI: 10.1366/13-07018     Document Type: Article

References (33)

1. L. Shao, P.R. Griffiths. "Automatic Baseline Correction by Wavelet Transform for Quantitative Open-Path Fourier Transform Infrared Spectroscopy". Environ. Sci. Technol. 2007. 41(20): 7054-7059. doi:10.1021/es062188d
2. M.N. Leger, A.G. Ryder. "Comparison of Derivative Preprocessing and Automated Polynomial Baseline Correction Method for Classification and Quantification of Narcotics in Solid Mixtures". Appl. Spectrosc. 2006. 60(2): 182-193. doi: 10.1366/000370206776023304
3. Z. Xu, X. Sun, P. de B. Harrington. "Baseline Correction Method Using an Orthogonal Basis for Ga Chromatography/Mass Spectrometry Data". Anal. Chem. 2011. 83(19): 7464-7471. doi:10.1021/ac2016745
4. J. Peng, S. Peng, A. Jiang, J. Wei, C. Li, J. Tan. "Asymmetric Least Squares for Multiple Spectra Baseline Correction". Anal. Chim. Acta. 2010. 683(1): 63-68. doi:10.1016/j.aca.2010.08.033
5. J.A. Westerhuis, S. de Jong, A.K. Smilde. "Direct Orthogonal Signal Correction". Chemom. Intell. Lab. Syst. 2001. 56(1): 13-25. doi:10.1016/S0169-7439(01)00102-2
6. J. Peng, S. Peng, Q. Xie, J. Wei. "Baseline Correction Combined Partial Least Squares Algorithm and Its Application in On-Line Fourier Transform Infrared Quantitative Analysis". Anal. Chim. Acta. 2011. 690(2): 162-168. doi:10.1016/j.aca.2011.02.001
7. H.W. Tan, S.D. Brown. "Wavelet Analysis Applied to Removing Non-Constant, Varying Spectroscopic Background in Multivariate Calibration". J. Chemom. 2002. 16(5): 228-240. doi:10.1002/cem.717
8. Y. Ding, D. Peng. "Quantitative Analysis of Near-Infrared Spectra by Wavelet-Based Interferences Removal and Least Squares Support Vector Regression". J. Comput. 2012. 7(4): 880-889. doi:10.4304/jcp.7.4.880-889
9. J. Palacký, P. Mojzeš, J. Bok. "SVD-Based Method for Intensity Normalization, Background Correction and Solvent Subtraction in Raman Spectroscopy Exploiting the Properties of Water Stretching Vibrations". J. Raman Spectrosc. 2011. 42(7): 1528-1539. doi:10.1002/jrs.2896
10. A. Jirasek, G. Schulze, M.M. Yu, M.W. Blades, R.F. Turner. "Accuracy and Precision of Manual Baseline Determination". Appl. Spectrosc. 2004. 58(12): 1488-1499
11. G. Schulze, A. Jirasek, M.M. Yu, A. Lim, R.F. Turner, M.W. Blades. "Investigation of Selected Baseline Removal Techniques as Candidates for Automated Implementation". Appl. Spectrosc. 2005. 59(5): 545-574
12. C. Rowlands, S. Elliott. "Automated Algorithm for Baseline Subtraction in Spectra". J. Raman Spectrosc. 2011. 42(3): 363-369. doi:10.1002/jrs.2691
13. J. Zhao, H. Lui, D.I. McLean, H. Zeng. "Automated Autofluorescence Background Subtraction Algorithm for Biomedical Raman Spectroscopy". Appl. Spectrosc. 2007. 61(11): 1225-1232
14. A. Antoniadis, J. Bigot, S. Lambert-Lacroix, F. Letue. "Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data". Curr. Anal. Chem. 2007. 3(2): 127-147. doi:10.2174/157341107780361718
15. A.T. Weakley, P.R. Griffiths, D.E. Aston. "Automatic Baseline Subtraction of Vibrational Spectra Using Minima Identification and Discrimination via Adaptive, Least-Squares Thresholding". Appl. Spectrosc. 2012. 66(5): 519-529. doi:10.1366/110-06526
16. Z.M. Zhang, S. Chen, Y.Z. Liang. "Baseline Correction Using Adaptive Iteratively Reweighted Penalized Least Squares". Analyst. 2010. 135(5): 1138-1146. doi:10.1039/b922045c
17. Q. Bao, J. Feng, F. Chen, W. Mao, Z. Liu, K. Liu, C. Liu. "A New Automatic Baseline Correction Method Based on Iterative Method". J. Magn. Reson. 2012. 218: 35-43. doi:10.1016/j.jmr.2012.03.010
18. H.G. Schulze, R.B. Foist, K. Okuda, A. Ivanov, R.F. Turner. "A Model-Free, Fully Automated Baseline-Removal Method for Raman Spectra". Appl. Spectrosc. 2011. 65(1): 75-84. doi:10.1366/10-06010
19. H.G. Schulze, R.B. Foist, K. Okuda, A. Ivanov, R.F. Turner. "A Small-Window Moving Average-Based Fully Automated Baseline Estimation Method for Raman Spectra". Appl. Spectrosc. 2012. 66(7): 757-764. doi:10.1366/11-06550
20. B.D. Prakash, Y.C. Wei. "A Fully Automated Iterative Moving Averaging (AIMA) Technique for Baseline Correction". Analyst. 2011. 136(15): 3130-3135. doi:10.1039/c0an00778a
21. R. Perez-Pueyo, M.J. Soneira, S. Ruiz-Moreno. "Morphology-Based Automated Baseline Removal for Raman Spectra of Artistic Pigments". Appl. Spectrosc. 2010. 64(6): 595-600. doi: 10.1366/000370210791414281
22. N. Kourkoumelis, A. Polymeros, M. Tzaphlidou. "Background Estimation of Biomedical Raman Spectra Using a Geometric Approach". Spectrosc. Int. J. 2012. 27(5-6): 441-447. doi:10.1155/2012/530791
23. K.H. Liland, E.O. Rukke, E.F. Olsen, T. Isaksson. "Customized Baseline Correction". Chemom. Intell. Lab. Syst. 2011. 109(1): 51-56. doi:10.1016/j.chemolab.2011.07.005
24. Y. Meyer. "Wavelets - Algorithms and Applications". In: R.D. Ryan, editor. Wavelets: Algorithms and Applications. Philadelphia, USA: Society for Industrial and Applied Mathematics Translation, 1993
25. J.C. Cobas, M.A. Bernstein, M. Martí-Pastor, P.G. Tahoces. "A New General-Purpose Fully Automatic Baseline-Correction Procedure for 1D and 2D NMR Data". J. Magn. Reson. 2006. 183(1): 145-151. doi:10.1016/j.jmr.2006. 07.013
26. D. Lyder, J. Feng, B. Rivard, A. Gallie, E. Cloutis. "Remote Bitumen Content Estimation of Athabasca Oil Sand from Hyperspectral Infrared Reflectance Spectra Using Gaussian Singlets and Derivative of Gaussian Wavelets". Fuel. 2010. 89(3): 760-767. doi:10.1016/j.fuel.2009.03.027
27. P. Du, W. Kibbe, S. Lin. "Mass Spectrum Processing by Wavelet-Based Algorithms". 2009. http://www.bioconductor.org/packages/2.11/bioc/html/ MassSpecWavelet.html [accessed [Jan 21 2013]
28. C.A. Lieber, A. Mahadevan-Jansen. "Automated Method for Subtraction of Fluorescence from Biological Raman Spectra". Appl. Spectrosc. 2003. 57(11): 1363-1367
29. T. Ha?nninen, E. Kontturi, T. Vuorinen. "Distribution of Lignin and Its Coniferyl Alcohol and Coniferyl Aldehyde Groups in Picea Abies and Pinus Sylvestris as Observed by Raman Imaging". Phytochemistry. 2011. 72(14-15): 1889-1895. doi:10.1016/j.phytochem. 2011.05.005
30. S.K. Lau, P. Winlove, J. Moger, O.L. Champion, R.W. Titball, Z.H. Yang, Z.R. Yang. "A Bayesian Whittaker-Henderson Smoother for General-Purpose and Sample-Based Spectral Baseline Estimation and Peak Extraction". J. Raman Spectrosc. 2012. 43(9): 1299-1305. doi:10.1002/jrs.3165
31. P.H.C. Eilers. "A Perfect Smoother". Anal. Chem. 2003. 75(14): 3631-3636. doi:10.1021/ac034173t
32. G. Strang, T.Q. Nguyen. Wavelets and Filter Banks. Wellesley, MA, USA: Wellesley-Cambridge Press, 1996
33. H. Abdi, L.J. Williams. "Principal Component Analysis". WIREs Comput. Stat. 2010. 2(4): 433-459. doi:10.1002/wics.101