光谱学与光谱分析 |
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FTIR Noise Calibration in Quantitative Estimate of VOCs Concentration |
WANG Xin1, LI Yan1, WEI Hao-yun1, REN Li-bing1, QI Yang2 |
1. State Key Laboratory of Precision Measurement Technology and Instruments, Department of Precision Instrument, Tsinghua University, Beijing 100084, China 2. Institute for Advanced Study, Tsinghua University, Beijing 100084, China |
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Abstract The Classical Least Square regression (CLS) is one of the most popular regression methods in FTIR quantitative estimation. However, CLS is the best unbiased estimator only under the assumption that error (noise) in the spectrum has equal variance, which usually is not the case in FTIR. This paper proposed a noise calibration method for FTIR spectrum analysis. Based on measured variance of noise in the FTIR spectrum by computer, the Weighted Least Square regression (WLS) method is used in quantitative estimation. The experiment results showed that the WLS performs much better than CLS in quantitative estimation of VOCs pollution.
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Received: 2014-11-06
Accepted: 2015-02-05
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Corresponding Authors:
WANG Xin
E-mail: wangxin9@mail.tsinghua.edu.cn
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[1] Griffiths P R, Haseth J A. Fourier Transform Infrared Spectrometry, 2nd ed, New York, Wiley Interscience, 2007. [2] LIANG Yi-zeng(梁逸曾). Chemometrics(化学计量学). Beijing: Higher Education Press(北京: 高等教育出版社), 2009. 118. [3] Johnson R A,Wichern D W. Applied Multivariate Statistical Analysis, Prentice Hall Upper Saddle River, NJ,2002. [4] XIAO Yu, DU Lei, ZHUANG Yi-qi, et al(肖 昱,杜 磊,庄奕琪,等). Electronics Quality(电子质量),2004, (12): 4. [5] ZHOU Xuan-yi, GU Ming, LI Gang(周晅毅, 顾 明, 李 刚). Journal of Tongji University(同济大学学报),2010, 38(10): 1403. [6] REN Li-bing, WEI Hao-yun, LI Yan(任利兵,尉昊赟,李 岩). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2011, 31(4): 997. [7] Roland Harig. Applied Optics, 2004, 43(23): 4603. |
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