| ADVANCES IN SECOND-ORDER CALIBRATION |
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| 作者姓名： | ODDS.BORGEN BRUCER.KOWALSKI FRANTSEK TURECEK |
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| 作者单位： | Laboratory of Chemometrics Center for Process Analytical Chemistry and Department of Chemistry，BG-10，University of Washington，Seattle，WA 98185，U.S.A.，Laboratory of Chemometrics，Center for Process Analytical Chemistry and Department of Chemistry，BG-10，University of Washington，Seattle，WA 98185，U.S.A.，Department of Chemistry，BG-10，University of Washington，Seattle，WA 98195，U.S.A. |
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| 摘 要： | Several multivariate methods are now available for the calibration of second-order or hyphenatedinstruments(e.g.GC/MS).When applied to bilinear data,it has been shown that calibration can beperformed in the presence of unknown interferences-a significant advantage over first-order calibration.In this paper,non-bilinear rank annihilation(NBRA),a method which has the potential of handling,second-order non-bi-linear data,is studied through theoretical analysis and computer simulation.It isfound that the second-order advantage can be carried over to non-bilinear data if a property defined asnet analyte rank(NAR)holds for the analyte of interest.The net analyte signal(NAS)is definedaccordingly for second-order calibration and the analogy to and difference from lower-order calibrationare discussed.With NAS,some analytical figures of merit such as signal-to noise ratio,selectivity,sensitivity and limit of determination can be calculated for second order calibration.An application toMS/MS data is also given.
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ADVANCES IN SECOND-ORDER CALIBRATION |
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| ODDS.BORGEN,BRUCER.KOWALSKI,FRANTSEK TURECEK.ADVANCES IN SECOND-ORDER CALIBRATION[J].Journal of Geographical Sciences,1993(2). |
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| Authors: | YONGDONG WANG ODD SBORGEN BRUCE RKOWALSKI Laboratory of Chemometrics Center for Process Analytical Chemistry and |
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| Institution: | YONGDONG WANG ODD S.BORGEN BRUCE R.KOWALSKI Laboratory of Chemometrics,Center for Process Analytical Chemistry and Department of Chemistry,BG-,University of Washington,Seattle,WA,U.S.A. MING GU FRANTISEK TURECEK Department of Chemistry,BG-,University of Washington,Seattle,WA,U.S.A. |
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| Abstract: | Several multivariate methods are now available for the calibration of second-order or hyphenated instruments(e.g.GC/MS).When applied to bilinear data,it has been shown that calibration can be performed in the presence of unknown interferences-a significant advantage over first-order calibration. In this paper,non-bilinear rank annihilation(NBRA),a method which has the potential of handling, second-order non-bi-linear data,is studied through theoretical analysis and computer simulation.It is found that the second-order advantage can be carried over to non-bilinear data if a property defined as net analyte rank(NAR)holds for the analyte of interest.The net analyte signal(NAS)is defined accordingly for second-order calibration and the analogy to and difference from lower-order calibration are discussed.With NAS,some analytical figures of merit such as signal-to noise ratio,selectivity, sensitivity and limit of determination can be calculated for second order calibration.An application to MS/MS data is also given. |
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| Keywords: | Calibration Rank annihilation Three-way Trilinear Bilinear Non-bilinear Net analyte signal MS/MS |
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