Limit of detection estimator for second-order bilinear calibration

被引:78
作者
Boqué, R
Ferré, J
Faber, NM
Rius, FX
机构
[1] Univ Rovira & Virgili, Inst Adv Studies, Dept Analyt & Organ Chem, E-43005 Tarragona, Spain
[2] ATO, Dept Prod & Control Syst, NL-6700 AA Wageningen, Netherlands
关键词
limit of detection; second-order bilinear calibration; GRAM; prediction variance; prediction bias;
D O I
10.1016/S0003-2670(01)01395-2
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
A new approach is developed for estimating the limit of detection in second-order bilinear calibration with the generalized rank annihilation method (GRAM). The proposed estimator is based on recently derived expressions for prediction variance and bias. It follows the latest IUPAC recommendations in the sense that it concisely accounts for the probabilities of committing both types I and II errors, i.e. false positive and false negative declarations, respectively. The estimator has been extensively validated with simulated data, yielding promising results. (C) 2002 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:313 / 321
页数:9
相关论文
共 35 条
[1]  
[Anonymous], 1993, 35341 ISO
[2]   ERROR ANALYSIS OF THE GENERALIZED RANK ANNIHILATION METHOD [J].
BOOKSH, K ;
KOWALSKI, BR .
JOURNAL OF CHEMOMETRICS, 1994, 8 (01) :45-63
[3]   Single measurement excitation/emission matrix spectrofluorometer for determination of hydrocarbons in ocean water .2. Calibration and quantitation of naphthalene and styrene [J].
Booksh, KS ;
Muroski, AR ;
Myrick, ML .
ANALYTICAL CHEMISTRY, 1996, 68 (20) :3539-3544
[4]   Detection limits in classical multivariate calibration models [J].
Boqué, R ;
Faber, NKM ;
Rius, FX .
ANALYTICA CHIMICA ACTA, 2000, 423 (01) :41-49
[5]   Multivariate detection limits with fixed probabilities of error [J].
Boqué, R ;
Larrechi, MS ;
Rius, FX .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1999, 45 (1-2) :397-408
[6]   Multivariate detection limits estimators [J].
Boque, R ;
Rius, FX .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1996, 32 (01) :11-23
[7]   A novel trilinear decomposition algorithm for second-order linear calibration [J].
Chen, ZP ;
Wu, HL ;
Jiang, JH ;
Li, Y ;
Yu, RQ .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2000, 52 (01) :75-86
[8]   DETECTION LIMITS WITH SPECIFIED ASSURANCE PROBABILITIES [J].
CLAYTON, CA ;
HINES, JW ;
ELKINS, PD .
ANALYTICAL CHEMISTRY, 1987, 59 (20) :2506-2514
[9]   Detection: International update, and some emerging di-lemmas involving calibration, the blank, and multiple detection decisions [J].
Currie, LA .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1997, 37 (01) :151-181
[10]   NOMENCLATURE IN EVALUATION OF ANALYTICAL METHODS INCLUDING DETECTION AND QUANTIFICATION CAPABILITIES (IUPAC RECOMMENDATIONS 1995) [J].
CURRIE, LA .
PURE AND APPLIED CHEMISTRY, 1995, 67 (10) :1699-1723