| 光谱学与光谱分析 |
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| The Application of Piecewise Direct Standardization with SNV in Calibration Transfer of Raman Spectra |
| HUANG Cheng-wei，DAI Lian-kui*，DONG Xue-feng |
| State Key Lab of Industrial Control Technology, Zhejiang University, Hangzhou 310027, China |
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Abstract To implement calibration transfer between Raman spectrometers, an improved piecewise direct standardization (PDS) is proposed in the present paper. Standard normal variate (SNV) is firstly introduced to reduce the influence of spectral background and intensity corresponding to the master spectrometer and the slave spectrometer; then PDS algorithm is used to eliminate the differences between Raman spectra for a specific sample. Moreover, a new quantitative criterion, called transfer error rate, is proposed to evaluate the performance of calibration model transfer. This improved PDS is applied to Raman spectral analysis of gasoline. The result shows that the proposed algorithm not only needs a small quantity of transfer samples, but also obtains high transfer accuracy and strong model robustness.
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Received: 2010-07-30
Accepted: 2010-10-28
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Corresponding Authors:
DAI Lian-kui
E-mail: lkdai@iipc.zju.edu.cn
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[1] Feudale R N，Woody N A，Tan H W，et al. Chemometrics and Intelligent Laboratory Systems，2002，64: 181.
[2] Quang H N，Jouan M，Dao N Q. Analytical Chimica Acta，1999，379: 159.
[3] CHU Xiao-li, YUAN Hong-fu, LU Wan-zhen(褚小立，袁洪福，陆婉珍). Spectroscopy and Spectral Analysis(光谱学与光谱分析)，2001, 21(6): 881.
[4] ZHANG Xue-bo, FENG Yan-chun, HU Chang-qin(张学博，冯艳春，胡昌勤). Chinese Journal of Pharmaceutical Analysis(药物分析杂志)，2009, 29(9): 1390.
[5] Pereira C F，Pimentel M F，Galvo R K H，et al. Analytical Chimica Acta，2008，611: 41.
[6] Wang Y D, Veltkamp D J, Kowalski B R. Anal. Chem.，1991，63: 2750.
[7] Brring H K，Boelens H F M，DE Noord O E，et al. Applied Spectroscopy，2001，55(4): 458.
[8] Tan H W, Brown S D. Journal of Chemometrics，2001，15(8): 647.
[9] Olsen E F，Baustad C，Egelandsdal B，et al. Meat Science，2010，85(1): 1.
[10] Mann C K，Vickers T J. Applied Spectroscopy，1999，53(7): 856.
[11] Choquette S J, Etz E S, Hurst W S, et al. Applied Spectroscopy，2007，61(2): 117.
[12] Etz E S，Choquette S J，Hurst W S. Microchimica Acta，2005，149(3-4): 175.
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