Comparison of Several Methods of Chromatographic Baseline Removal with a New Approach Based on Quantile Regression

被引:39
作者
Komsta, L. [1 ]
机构
[1] Med Univ Lublin, Dept Med Chem, PL-20090 Lublin, Poland
关键词
Baseline drift; Background drift; Splines; LOESS; Quantile regression; Quantile smoothing; Whittaker smoother; RECOGNITION;
D O I
10.1007/s10337-011-1962-1
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The article is intended to introduce and discuss a new quantile regression method for baseline detrending of chromatographic signals. It is compared with current methods based on polynomial fitting, spline fitting, LOESS, and Whittaker smoother, each with thresholding and reweighting approach. For curve flexibility selection in existing algorithms, a new method based on skewness of the residuals is successfully applied. The computational efficiency of all approaches is also discussed. The newly introduced methods could be preferred to visible better performance and short computational time. The other algorithms behave in comparable way, and polynomial regression can be here preferred due to short computational time.
引用
收藏
页码:721 / 731
页数:11
相关论文
共 19 条
[1]   Application of Kalman filtering to multivariate calibration and drift correction [J].
Andrew, KN ;
Rutan, SC ;
Worsfold, PJ .
ANALYTICA CHIMICA ACTA, 1999, 388 (03) :315-325
[2]   FULLY AUTOMATED BASE-LINE CORRECTION OF 1D AND 2D NMR-SPECTRA USING BERNSTEIN POLYNOMIALS [J].
BROWN, DE .
JOURNAL OF MAGNETIC RESONANCE SERIES A, 1995, 114 (02) :268-270
[3]  
CHAU FT, 2000, WAVELETS CHEM, P207
[4]   Use and abuse of chemometrics in chromatography [J].
Daszykowski, Michal ;
Walczak, Beata .
TRAC-TRENDS IN ANALYTICAL CHEMISTRY, 2006, 25 (11) :1081-1096
[5]  
De Boor C., 2001, Applied Mathematical Sciences, DOI DOI 10.1007/978-1-4612-6333-3
[6]   FAST AND PRECISE AUTOMATIC BASE-LINE CORRECTION OF ONE-DIMENSIONAL AND 2-DIMENSIONAL NMR-SPECTRA [J].
DIETRICH, W ;
RUDEL, CH ;
NEUMANN, M .
JOURNAL OF MAGNETIC RESONANCE, 1991, 91 (01) :1-11
[7]   A perfect smoother [J].
Eilers, PHC .
ANALYTICAL CHEMISTRY, 2003, 75 (14) :3631-3636
[8]  
FRIEDRICHS MS, 1995, J BIOMOL NMR, V5, P147, DOI 10.1007/BF00208805
[9]   Baseline correction by improved iterative polynomial fitting with automatic threshold [J].
Gan, Feng ;
Ruan, Guihua ;
Mo, Jinyuan .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2006, 82 (1-2) :59-65
[10]   Improved baseline recognition and modeling of FT NMR spectra [J].
Golotvin, S ;
Williams, A .
JOURNAL OF MAGNETIC RESONANCE, 2000, 146 (01) :122-125