光谱学与光谱分析 |
|
|
|
|
|
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.
|
Received: 2010-08-25
Accepted: 2010-12-05
|
|
Corresponding Authors:
REN Li-bing
E-mail: rlb07@mails.tsinghua.edu.cn
|
|
[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. |
[1] |
CHENG Jia-wei1, 2,LIU Xin-xing1, 2*,ZHANG Juan1, 2. Application of Infrared Spectroscopy in Exploration of Mineral Deposits: A Review[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 15-21. |
[2] |
LI Jie, ZHOU Qu*, JIA Lu-fen, CUI Xiao-sen. Comparative Study on Detection Methods of Furfural in Transformer Oil Based on IR and Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 125-133. |
[3] |
YANG Cheng-en1, 2, LI Meng3, LU Qiu-yu2, WANG Jin-ling4, LI Yu-ting2*, SU Ling1*. Fast Prediction of Flavone and Polysaccharide Contents in
Aronia Melanocarpa by FTIR and ELM[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 62-68. |
[4] |
GAO Feng1, 2, XING Ya-ge3, 4, LUO Hua-ping1, 2, ZHANG Yuan-hua3, 4, GUO Ling3, 4*. Nondestructive Identification of Apricot Varieties Based on Visible/Near Infrared Spectroscopy and Chemometrics Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 44-51. |
[5] |
LIU Jia, ZHENG Ya-long, WANG Cheng-bo, YIN Zuo-wei*, PAN Shao-kui. Spectra Characterization of Diaspore-Sapphire From Hotan, Xinjiang[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 176-180. |
[6] |
BAO Hao1, 2,ZHANG Yan1, 2*. Research on Spectral Feature Band Selection Model Based on Improved Harris Hawk Optimization Algorithm[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 148-157. |
[7] |
GUO Ya-fei1, CAO Qiang1, YE Lei-lei1, ZHANG Cheng-yuan1, KOU Ren-bo1, WANG Jun-mei1, GUO Mei1, 2*. Double Index Sequence Analysis of FTIR and Anti-Inflammatory Spectrum Effect Relationship of Rheum Tanguticum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 188-196. |
[8] |
WANG Cai-ling1,ZHANG Jing1,WANG Hong-wei2*, SONG Xiao-nan1, JI Tong3. A Hyperspectral Image Classification Model Based on Band Clustering and Multi-Scale Structure Feature Fusion[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 258-265. |
[9] |
LI Xiao-dian1, TANG Nian1, ZHANG Man-jun1, SUN Dong-wei1, HE Shu-kai2, WANG Xian-zhong2, 3, ZENG Xiao-zhe2*, WANG Xing-hui2, LIU Xi-ya2. Infrared Spectral Characteristics and Mixing Ratio Detection Method of a New Environmentally Friendly Insulating Gas C5-PFK[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3794-3801. |
[10] |
HU Cai-ping1, HE Cheng-yu2, KONG Li-wei3, ZHU You-you3*, WU Bin4, ZHOU Hao-xiang3, SUN Jun2. Identification of Tea Based on Near-Infrared Spectra and Fuzzy Linear Discriminant QR Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3802-3805. |
[11] |
LIU Xin-peng1, SUN Xiang-hong2, QIN Yu-hua1*, ZHANG Min1, GONG Hui-li3. Research on t-SNE Similarity Measurement Method Based on Wasserstein Divergence[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3806-3812. |
[12] |
BAI Xue-bing1, 2, SONG Chang-ze1, ZHANG Qian-wei1, DAI Bin-xiu1, JIN Guo-jie1, 2, LIU Wen-zheng1, TAO Yong-sheng1, 2*. Rapid and Nndestructive Dagnosis Mthod for Posphate Dficiency in “Cabernet Sauvignon” Gape Laves by Vis/NIR Sectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3719-3725. |
[13] |
WANG Qi-biao1, HE Yu-kai1, LUO Yu-shi1, WANG Shu-jun1, XIE Bo2, DENG Chao2*, LIU Yong3, TUO Xian-guo3. Study on Analysis Method of Distiller's Grains Acidity Based on
Convolutional Neural Network and Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3726-3731. |
[14] |
DANG Rui, GAO Zi-ang, ZHANG Tong, WANG Jia-xing. Lighting Damage Model of Silk Cultural Relics in Museum Collections Based on Infrared Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3930-3936. |
[15] |
SUN Wei-ji1, LIU Lang1, 2*, HOU Dong-zhuang3, QIU Hua-fu1, 2, TU Bing-bing4, XIN Jie1. Experimental Study on Physicochemical Properties and Hydration Activity of Modified Magnesium Slag[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3877-3884. |
|
|
|
|