Influence analysis of Rubberband's piecewise quantity on baseline correction effect

Zhao Anxin; Tang Xiaojun; Zhang Zhonghua; Liu Junhua

The problems of baseline drifting and distortion of mixed gases infrared spectra in the application field and the uncertain choice of the Rubberband's piecewise quantity were discussed. In the situation of the spectrometer resolution of 4 cm-1 and mid-infrared band for the hydrocarbon gases, the baseline estimation and correction would be more ideal in the case of the piecewise quantity was set in the 50-120 and piecewise cubic Hermite interpolation method was selected to fit the baseline points by the ergodic method. For the problem of absorption points,which was mistaked as the baseline points, first of all, the obvious absorption points within the segment were eliminated by the method of the median and deviation. And then, the baseline points were selected by the partial least square method and certain threshold was set in the residual baseline points. Lastly, the selected baseline points was used to estimate the baseline by piecewise cubic Hermite interpolation method in the whole band. From the baseline correction result of the measured spectra, the provided method was simple and fast, and also suitable for on-line continuous analysis applications.

1. Network Center,Xi'an University of Science and Technology,Xi'an 710054,China;

2. State Key Laboratory of Electrical Insulation And Power Equipment,Xi'an Jiaotong University,Xi'an 710049,China;

3. National Institute of Metrology,Beijing 100013,China

Received Date: 2014-08-07

Rev Recd Date: 2014-09-21

Publish Date: 2015-04-25

Key words:

Fourier transform infrared spectroscopy /
baseline correction /
spline interpolation /
in-situ monitoring

Abstract: The problems of baseline drifting and distortion of mixed gases infrared spectra in the application field and the uncertain choice of the Rubberband's piecewise quantity were discussed. In the situation of the spectrometer resolution of 4 cm-1 and mid-infrared band for the hydrocarbon gases, the baseline estimation and correction would be more ideal in the case of the piecewise quantity was set in the 50-120 and piecewise cubic Hermite interpolation method was selected to fit the baseline points by the ergodic method. For the problem of absorption points,which was mistaked as the baseline points, first of all, the obvious absorption points within the segment were eliminated by the method of the median and deviation. And then, the baseline points were selected by the partial least square method and certain threshold was set in the residual baseline points. Lastly, the selected baseline points was used to estimate the baseline by piecewise cubic Hermite interpolation method in the whole band. From the baseline correction result of the measured spectra, the provided method was simple and fast, and also suitable for on-line continuous analysis applications.

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Reference (25)

[1]	Schmitt J, Flemming H C. FTIR-spectroscopy in microbial and material analysis[J]. International Biodeterioration Biodegradation, 1998, 41(1): 1-11.
[2]
[3]	Tang Xiaojun, Wang Jin, Zhang Lei, et al. Spectral baseline correction by piecewise dividing in Fourier transform infrared gasanalysis[J]. Spectroscopy and Spectral Analysis, 2012, 33(2): 334-339. (in Chinese) 汤晓君, 王进, 张蕾, 等. 气体光谱分析应用中傅里叶变换红外光谱基线漂移分段比校正方法[J]. 光谱学与光谱分析, 2013, 33(2): 334-339.
[4]
[5]
[6]	Rowlands C, Elliott S. Automated algorithm for baseline subtraction in spectra[J]. Journal of Raman Spectroscopy, 2011, 42(3): 363-369.
[7]	Krishnan S, Vogels J T W E, Coulier L, et al. Instrument and process independent binning and baseline correction methods for liquid chromatography-high resolution-mass spectrometry deconvolution[J]. Analytica Chimica Acta, 2012, 740: 12-19.
[8]
[9]
[10]	Hu Y, Jiang T, Shen A, et al. A background elimination method based on wavelet transform for Raman spectra[J]. Chemometerics and Intelligent Laboratory Systems, 2007, 85(1): 94-101.
[11]
[12]	Dietrich W, Rudel C H, Neumann M. Fast and precise automatic base- line correction of one-dimensional and 2-dimensional and 2-dimensional NMR-spectra[J]. Journal of Magnetic Resonance, 1991, 91(1): 1-11.
[13]	Weakley A T, Griffiths P R, Aston D E. Automatic baseline subtraction of vibrational spectra using minima identification and discrimination via adaptive, least-squares thresholding[J]. Appl Spectrosc, 2012, 66(5): 519-529.
[14]
[15]	Boucheham B, Ferdi Y, Batouche M C. Piecewise linear correction of ECG baseline wander: a curve simplification approach[J]. Computer Methods and Programs in Biomedicine, 2005, 78(1): 1-10.
[16]
[17]
[18]	Ruckstuhl A F, Jacobson M P, Field R W, et al. Baseline subtraction using robust local regression estimation[J]. Jounal of Quantitative Spectroscopy Radiative Transfer, 2001, 68(2): 179-193.
[19]
[20]	Shao L, Griffiths P R. Automatic baseline correction by wavelet transform for quantitative open-path fourier transform infrared spectroscopy[J]. Environmental Science Technology, 2007, 41(20): 7054- 7059.
[21]
[22]	Peng J, Peng S, Jiang A, et al. Asymmetric least squares for multiple spectra baseline correction[J]. Analytica Chimica Acta, 2010, 683(1): 63-68.
[23]
[24]	Liland K H, Almoy T, Mevik B. Optimal choice of baseline correction for multivariate calibration of spectra[J]. Applied Spectroscopy, 2010, 64(9): 1007-1016.
[25]	Prakash B D, Wei Y C. A fully automated iterative moving averaging (AIMA) technique for baseline correction[J]. Analyst, 2011, 136(15): 3130 -3135.

Influence analysis of Rubberband's piecewise quantity on baseline correction effect

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