Our traditional Chemometric Space is undergoing some change at the moment. I have asked a number of different chemometric specialists to provide us with a series of tutorial type articles in which they will describe the theory and practice of a range of chemometric procedures as applied to (near infrared) NIR spectral data. This series of column articles will, I hope, form an invaluable resource for both the novice and experienced NIR spectroscopist given that some of the techniques to be covered are not as yet routinely applied in all laboratories. As always, we appreciate feedback on this new development. – Ed.
Get full access to this article
View all access options for this article.
References
1.
OliveriP. and DowneyG., “Multivariate class modeling for the verification of food-authenticity claims”, TrAC—Trends Anal. Chem.35, 74–86 (2012). doi: http://dx.doi.orq/10.1016/i.trac.2012.02.005
2.
KvalheimO.M. and KarstangT.V., “SIMCA-classification by means of disjoint cross validated principal components models”, in Multivariate Pattern Recognition in Chemometrics: Illustrated by Case Studies, Ed by BreretonR.G.Elsevier Science, p. 232 (1992).
3.
HotellingH., “Multivariate quality control illustrated by air testing of sample bombsights”, in Selected Techniques of Statistical Analysis for Scientific and Industrial Research, and Production and Management Engineering, Ed by EisenhartC.HastayM.W. and WallisW.A.McGraw-Hill Book Company, Inc., New York and London, pp. 111–184 (1947).
WoldS. and SjöströmM., “SIMCA: A method for analyzing chemical data in terms of similarity and analogy”, in Chemometrics: Theory and Application, Ed by KowalskiB.R.American Chemical Society, Washington, DC, pp. 243–282 (1977). doi: http://dx.doi.orq/10.1021/bk-1977-0052.ch012
6.
DerdeM.P. and MassartD.L., “UNEQ: A class modelling supervised pattern recognition technique”, Mikrochim. Acta89, 139–152 (1986). doi: http://dx.doi.org/10.1007/BF01207313
7.
ForinaM.ArmaninoC.LeardiR. and DravaG., “A class-modelling technique based on potential functions”, J. Chemometr.5, 435–453 (1991). doi: http://dx.doi.orq/10.1002/cem.1180050504
