MODIFIED ALGORITHM FOR STANDARDIZATION OF NEAR-INFRARED SPECTROMETRIC INSTRUMENTS

被引:59
作者
BOUVERESSE, E
MASSART, DL
DARDENNE, P
机构
[1] FREE UNIV BRUSSELS,INST PHARMACEUT,CHEMOAC,B-1090 BRUSSELS,BELGIUM
[2] STN HAUTE BELGIQUE,B-6800 LIBRAMONT,BELGIUM
关键词
D O I
10.1021/ac00104a013
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The transfer of calibration models between near-infrared spectrometric instruments with the algorithm proposed by Shenk and Westerhaus as a standardization method is studied. This algorithm does not yield optimal results when standardization samples are used that are not of the same nature as the samples to be analyzed. In an attempt to improve the results obtained with this algorithm when one uses such standardization samples, five different modifications of the spectral intensity correction step of the algorithm are investigated. The use of locally weighted regression, which gives more weight to the standardization samples close to the same spectral intensity range where the samples to be predicted are located and less weight to the farthest samples, seems to be the most suitable one.
引用
收藏
页码:1381 / 1389
页数:9
相关论文
共 17 条
[1]  
Shenk J.S., Westerhaus M.O., Crop Set., 31, pp. 1694-1696, (1991)
[2]  
Shenk J.S., Westerhaus M.O., U.S. Patent 4866644, (1989)
[3]  
Bouveresse E., Massart D.L., Dardenne P., Anal. Chim. Acta, 297, pp. 405-416, (1994)
[4]  
Wang Y., Kowalski B.R., Appl Spectrosc., 46, pp. 764-771, (1992)
[5]  
Wang Y., Veltkamp D.J., Kowalski B.R., Anal. Chem., 63, pp. 2750-2756, (1991)
[6]  
Mosteller F., Tukey J.W., Data analysis and regression, Addison-Wesley: Reading, MA, (1977)
[7]  
Phillips G.R., Eyring E.R., Anal. Chem., 55, pp. 1134-1138, (1983)
[8]  
Vankeerberghen P., Vandenbosch C., Smeyers-Verbeke J., Massart D.L., Chemom. Intell. Lab. Syst., 12, pp. 3-13, (1991)
[9]  
Rousseeuw P.J., J. Am. Stat. Assoc., 79, pp. 871-880, (1984)
[10]  
Rousseeuw P.J., Leroy A.M., Robust Regression and Outlier Detection, John Wiley & Sons, Inc., (1987)