Detection of prediction outliers and inliers in multivariate calibration

Analytica Chimica Acta

Volumn 388, Issue 3, 1999, Pages 283-301

  Jouan Rimbaud, D ^a   Bouveresse, E ^a   Massart, D L ^a   De Noord, O E ^b  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b SHELL RESEARCH AND TECHNOLOGY CENTRE   (Netherlands)

Author keywords

Multivariate calibration; Outliers; Potential functions; Prediction

Indexed keywords

ARTICLE; CALIBRATION; DATA ANALYSIS; MODEL; MULTIVARIATE ANALYSIS; PREDICTION; PRIORITY JOURNAL; SIMULATION; THEORY;

EID: 0033007058     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(98)00626-6     Document Type: Article

References (37)

1. H. Martens, T. Næs, Multivariate Calibration, Wiley, Chichester, 1989.
2. Geladi P., Kowalski B. Anal. Chim. Acta. 185:1986;1.
3. Næs T., Martens H. J. Chemometrics. 2:1988;155.
4. Sutter J.M., Kalivas J.H., Lang P.M. J. Chemometrics. 6:1992;217.
5. N.R. Draper, H. Smith, Applied Regression Analysis, 2nd ed., Wiley, New York, USA, 1981.
6. de Noord O.E. Chemometrics Intelligent Lab. Systems. 23:1994;65.
7. Jouan-Rimbaud D., Massart D.L., Saby C.A., Puel C. Anal. Chim. Acta. 350:1997;149.
8. Jouan-Rimbaud D., Massart D.L., Saby C.A., Puel C. Chemometrics Intelligent Lab. Systems. 40:1998;129.
9. Centner V., Massart D.L., de Noord O.E. Anal. Chim. Acta. 330:1996;1.
10. V Centner, D.L. Massart, O.E. de Noord, Detection of non-linearities in multivariate calibration, in preparation.
11. Chatterjee S., Hadi A.S. Statistical Sci. 1(3):1986;379.
12. P.J. Rousseeuw, A.M. Leroy, Robust Regression and Outlier Detection, Wiley, New York, 1987.
13. Walczak B., Massart D.L. Chemometrics Intelligent Lab. Systems. 27:1995;41.
14. Walczak B. Chemometrics Intelligent Lab. Systems. 28:1995;259.
15. Walczak B. Chemometrics Intelligent Lab. Systems. 29:1995;63.
16. Liang Y.Z., Kvalheim O.V. Chemometrics Intelligent Lab. Systems. 32:1996;1.
17. Singh A. Chemometrics Intelligent Lab. Systems. 33:1996;75.
18. Rousseeuw P.J., Van Zomeren P.J. J. Am. Statistical Assoc. 85:1990;633.
19. Forina M., Drava G., Boggia R., Lanteri S., Conti P. Anal. Chim. Acta. 295:1994;109.
20. R. de Maesschalck, D. Jouan-Rimbaud, D.L. Massart, Tutorial: the Mahalanobis distance, in preparation.
21. D. Coomans, I. Broeckaert, Potential Pattern Recognition in Chemical and Medical Decision Making, Research Studies Press Ltd., UK, 1986.
22. E 1655-94, Standard Practices for Infrared, Multivariate, Quantitative Analysis, Annual book of ASTM Standards, vol. 14.02, February 1995.
23. Workman J. jr. NIR News. 7(4):1996;15.
24. Ruyken M.M.A., Visser J.A., Smilde A.K. Anal. Chem. 67:1995;2170.
25. Jackson J.E., Mudholkar G.S. Technometrics. 21(3):1979;341.
26. B.W. Silverman, Density Estimation for Statistics and Data Analysis, Chapman & Hall, New York, 1986.
27. Forina M., Armanino C., Leardi R., Drava G. J. Chemometrics. 5:1991;435.
28. D. Coomans, Patroonherkenning in de medische diagnose aan de hand van klinische laboratoriumonderzoeken, Doctoral Thesis VUB, Brussels (B), 1982.
29. Coomans D., Massart D.L., Broeckaert I., Tassin A. Anal. Chim. Acta. 133:1981;215.
30. J. Hermans, J.D.F. Habbema, Manual for the ALLOC Discriminant Analysis Program, Department of Medical Statistics, University of Leiden, PO Box 2060, Leiden (NL), 1976.
31. Coomans D., Massart D.L. Anal. Chim. Acta. 133:1981;225.
32. Derde M.P., Kaufman L., Massart D.L. J. Chemometrics. 3:1989;375.
33. B. Wise, PLS Toolbox, version 1.5, Eigenvector Research, Manson, WA, 1997.
34. Jouan-Rimbaud D., Massart D.L., Leardi R., de Noord O.E. Anal. Chem. 67:1995;4295.
35. Centner V., Massart D.L., de Noord O.E., de Jong S., Vandeginste B.M., Sterna C. Anal. Chem. 68:1996;3851.
36. Jouan-Rimbaud D., Walczak B., Poppi R.J., de Noord O.E., Massart D.L. Anal. Chem. 69:1997;4317.
37. Pasti L., Jouan-Rimbaud D., Massart D.L., de Noord O.E. Anal. Chim. Acta. 364:1998;253.