The Method of Principal Component Interactive Validation in Multi-Region and Its Application in Gas Spectrum Identification
REN Li-bing, WEI Hao-yun, LI Yan
State Key Laboratory of Precision Measurement Technology and Instruments, Department of Precision Instruments, Tsinghua University, Beijing 100084, China
Abstract：A method of principal component interactive validation in multi-region is presented. Based on the characteristic peaks of target gas the full spectral region is divided into multiple characteristic regions. In succession the principal component analysis around the pure components spectral matrix in divided characteristic regions is applied. Thus the potential components included in target gas are identified according to the main components number according to 99% larger cumulated contribution and the descending sorting of maximum value of pure component spectrums. After that, the characteristic regions of potential components are compared with the ones of target gas one by one. In this way the real components of target gas are confirmed. Because the principal component analysis was applied in multiple characteristic regions, this method can avoid omitted identification. Owning to the matching validation between the characteristic absorption regions of target gas and the ones of pure component gas this method can avoid additional identification. The simulated and the measured spectra both validate the qualitative ability of this method.
任利兵，尉昊赟，李 岩 . 多区间主成分交互验证法用于气体光谱定性分析[J]. 光谱学与光谱分析, 2011, 31(04): 997-1000.
REN Li-bing, WEI Hao-yun, LI Yan . The Method of Principal Component Interactive Validation in Multi-Region and Its Application in Gas Spectrum Identification . SPECTROSCOPY AND SPECTRAL ANALYSIS, 2011, 31(04): 997-1000.
[1] Arnold M, Kajolinna T. Waste Management, 2010, 30(6): 1011. [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. 116. [3] Brian C Smith. Quantitative Spectroscopy-Theory and Practice. US: Academic Press, 2002. 109. [4] Volmer Marcel. Infrared Spectroscopy in Clinical Chemistry, Using Chemometric Calibration Techniques. NL: University of Groningen, 2006. 70. [5] DU Yi-ping, PAN Tie-ying, ZHANG Yu-lan(杜一平，潘铁英，张玉兰). Application of Chemometrics(化学计量学应用). Beijing: Chemical Industry Press(北京：化学工业出版社)，2008. 205. [6] Paul Gemperline. Practical Guide to Chemometrics. US: CRC Press, 2006. 70. [7] Chu P M, Guenther F R, Rhoderick G C, et al. J. Res. Natl. Inst. Stand Technol., 1999, 104: 59.
