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Pure Appl. Chem., Vol. 78, No. 3, pp. 633–661, 2006.
doi:10.1351/pac200678030633
© 2006 IUPAC
INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY
ANALYTICAL CHEMISTRY DIVISION*
UNCERTAINTY ESTIMATION AND FIGURES OF
MERIT FOR MULTIVARIATE CALIBRATION
(IUPAC Technical Report)
Prepared for publication by
ALEJANDRO C. OLIVIERI1,‡ 2 3
, NICOLAAS (KLAAS) M. FABER , JOAN FERRÉ ,
3 4 5
RICARD BOQUÉ , JOHN H. KALIVAS , AND HOWARD MARK
1Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas,
Universidad Nacional de Rosario, Suipacha 531, Rosario S2002LRK, Argentina;
2Chemometry Consultancy, Rubensstraat 7, 6717 VD Ede, The Netherlands;
3Department of Analytical and Organic Chemistry, Rovira i Virgili University, 43007 Tarragona,
Spain; 4Department of Chemistry, Idaho State University, Pocatello, ID 83209, USA;
5Mark Electronics, 69 Jamie Court, Suffern, NY 10901, USA
*Membership of the Analytical Chemistry Division during the final preparation of this report was as follows:
President : K. J. Powell (New Zealand); Titular Members: D. Moore (USA); R. Lobinski (France); R. M. Smith
(UK); M. Bonardi (Italy); A. Fajgelj (Slovenia); B. Hibbert (Australia); J.-Å. Jönsson (Sweden); K. Matsumoto
(Japan); E. A. G. Zagatto (Brazil); Associate Members : Z. Chai (China); H. Gamsjäger (Austria); D. W. Kutner
(Poland); K. Murray (USA); Y. Umezawa (Japan); Y. Vlasov (Russia); National Representatives : J. Arunachalam
(India); C. Balarew (Bulgaria); D. A. Batistoni (Argentina); K. Danzer (Germany); W
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