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Volumn 103, Issue 2, 2010, Pages 96-107

MCR-BANDS: A user friendly MATLAB program for the evaluation of rotation ambiguities in Multivariate Curve Resolution

Author keywords

Boundaries of feasible MCR solutions; MCR ALS; MCR Bands; Rotational ambiguities; Software

Indexed keywords

AMBIGUITY; ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; CHEMOMETRIC ANALYSIS; COMPUTER INTERFACE; COMPUTER SYSTEM; DATA ANALYSIS SOFTWARE; EVALUATION; FEASIBILITY STUDY; LIQUID CHROMATOGRAPHY; MATHEMATICAL MODEL; MULTIVARIATE CURVE RESOLUTION; PRIORITY JOURNAL; PROCESS MODEL; PROCESS OPTIMIZATION; ULTRAVIOLET SPECTROPHOTOMETRY;

EID: 77955926608     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.05.020     Document Type: Article
Times cited : (182)

References (25)
  • 2
    • 72249110121 scopus 로고
    • Self modeling curve resolution
    • Lawton W.H., Sylvestre E.A. Self modeling curve resolution. Technometrics 1971, 13:617-633.
    • (1971) Technometrics , vol.13 , pp. 617-633
    • Lawton, W.H.1    Sylvestre, E.A.2
  • 6
    • 84984342002 scopus 로고
    • Selectivity, local rank, 3-way data-analysis and ambiguity in Multivariate Curve Resolution
    • Tauler R., Smilde A., Kowalski B. Selectivity, local rank, 3-way data-analysis and ambiguity in Multivariate Curve Resolution. J. Chemometr. 1995, 9:31-58.
    • (1995) J. Chemometr. , vol.9 , pp. 31-58
    • Tauler, R.1    Smilde, A.2    Kowalski, B.3
  • 7
    • 14844298640 scopus 로고    scopus 로고
    • A graphical user-friendly interface for MCR-ALS: a new tool for Multivariate Curve Resolution in MATLAB
    • Jaumot J., Gargallo R., de Juan A., Tauler R. A graphical user-friendly interface for MCR-ALS: a new tool for Multivariate Curve Resolution in MATLAB. Chemom. Intell. Lab. Syst. 2005, 76:101-110.
    • (2005) Chemom. Intell. Lab. Syst. , vol.76 , pp. 101-110
    • Jaumot, J.1    Gargallo, R.2    de Juan, A.3    Tauler, R.4
  • 8
    • 0020166683 scopus 로고
    • Restricted least squares estimation of the spectra and concentration of two unknown constituents available in mixtures
    • Spjotvoll E., Martens H., Volden R. Restricted least squares estimation of the spectra and concentration of two unknown constituents available in mixtures. Technometrics 1982, 24:173-180.
    • (1982) Technometrics , vol.24 , pp. 173-180
    • Spjotvoll, E.1    Martens, H.2    Volden, R.3
  • 9
    • 0028917422 scopus 로고
    • On the resolution problem in hyphenated chromatography
    • Manne R. On the resolution problem in hyphenated chromatography. Chemom. Intell. Lab. Syst. 1995, 27:89-94.
    • (1995) Chemom. Intell. Lab. Syst. , vol.27 , pp. 89-94
    • Manne, R.1
  • 10
    • 0001791216 scopus 로고    scopus 로고
    • Multivariate Curve Resolution applied to three-way trilinear data: study of a spectrofluorimetric acid-base titration of salicylic acid at three excitation wavelengths
    • Tauler R., Marqués I., Casassas E. Multivariate Curve Resolution applied to three-way trilinear data: study of a spectrofluorimetric acid-base titration of salicylic acid at three excitation wavelengths. J. Chemometr. 1998, 12:55-75.
    • (1998) J. Chemometr. , vol.12 , pp. 55-75
    • Tauler, R.1    Marqués, I.2    Casassas, E.3
  • 11
    • 0035812447 scopus 로고    scopus 로고
    • Application of a novel resolution approach combining soft- and hard-modelling features to investigate temperature-dependent kinetic processes
    • De Juan A., Maeder M., Martínez M., Tauler R. Application of a novel resolution approach combining soft- and hard-modelling features to investigate temperature-dependent kinetic processes. Anal. Chim. Acta 2001, 442:337-350.
    • (2001) Anal. Chim. Acta , vol.442 , pp. 337-350
    • De Juan, A.1    Maeder, M.2    Martínez, M.3    Tauler, R.4
  • 12
    • 0345276681 scopus 로고    scopus 로고
    • Chemometrics applied to unravel multicomponent processes and mixtures: revisiting latest trends in multivariate resolution
    • De Juan A., Tauler R. Chemometrics applied to unravel multicomponent processes and mixtures: revisiting latest trends in multivariate resolution. Anal. Chim. Acta 2003, 500:195-210.
    • (2003) Anal. Chim. Acta , vol.500 , pp. 195-210
    • De Juan, A.1    Tauler, R.2
  • 13
    • 33845438591 scopus 로고    scopus 로고
    • Multivariate Curve Resolution (MCR) from 2000: progress in concepts and applications
    • De Juan A., Tauler R. Multivariate Curve Resolution (MCR) from 2000: progress in concepts and applications. Crit. Rev. Anal. Chem. 2006, 36:163-176.
    • (2006) Crit. Rev. Anal. Chem. , vol.36 , pp. 163-176
    • De Juan, A.1    Tauler, R.2
  • 14
    • 0035689047 scopus 로고    scopus 로고
    • Comparison of three-way resolution methods for non-trilinear chemical data sets
    • De Juan A., Tauler R. Comparison of three-way resolution methods for non-trilinear chemical data sets. J. Chemometr. 2001, 15:749-772.
    • (2001) J. Chemometr. , vol.15 , pp. 749-772
    • De Juan, A.1    Tauler, R.2
  • 15
    • 0030813663 scopus 로고    scopus 로고
    • PARAFAC. Tutorial and applications
    • Bro R. PARAFAC. Tutorial and applications. Chemom. Intell. Lab. Syst. 1997, 38:149-171.
    • (1997) Chemom. Intell. Lab. Syst. , vol.38 , pp. 149-171
    • Bro, R.1
  • 16
    • 0033485365 scopus 로고    scopus 로고
    • Computation of the range of feasible solutions in self-modeling curve resolution algorithms
    • Gemperline P.J. Computation of the range of feasible solutions in self-modeling curve resolution algorithms. Anal. Chem. 1999, 71:5398-5404.
    • (1999) Anal. Chem. , vol.71 , pp. 5398-5404
    • Gemperline, P.J.1
  • 17
    • 0034800886 scopus 로고    scopus 로고
    • Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by Multivariate Curve Resolution
    • Tauler R. Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by Multivariate Curve Resolution. J. Chemometr. 2001, 15:627-646.
    • (2001) J. Chemometr. , vol.15 , pp. 627-646
    • Tauler, R.1
  • 18
    • 15744399193 scopus 로고    scopus 로고
    • Calculation of band boundaries of feasible solutions obtained by Multivariate Curve Resolution-Alternating Least Squares of multiple runs of a reaction monitored by NIR spectroscopy
    • Garrido M., Larrechi M.S., Rius F.X., Tauler R. Calculation of band boundaries of feasible solutions obtained by Multivariate Curve Resolution-Alternating Least Squares of multiple runs of a reaction monitored by NIR spectroscopy. Chemom. Intell. Lab. Syst. 2005, 76:111-120.
    • (2005) Chemom. Intell. Lab. Syst. , vol.76 , pp. 111-120
    • Garrido, M.1    Larrechi, M.S.2    Rius, F.X.3    Tauler, R.4
  • 19
    • 34250840003 scopus 로고    scopus 로고
    • Application of non-linear optimization methods to the estimation of Multivariate Curve Resolution solutions and of their feasible band boundaries in the investigation of two chemical and environmental simulated data sets
    • Tauler R. Application of non-linear optimization methods to the estimation of Multivariate Curve Resolution solutions and of their feasible band boundaries in the investigation of two chemical and environmental simulated data sets. Anal. Chim. Acta 2007, 595:289-298.
    • (2007) Anal. Chim. Acta , vol.595 , pp. 289-298
    • Tauler, R.1
  • 20
    • 64649093979 scopus 로고    scopus 로고
    • Calculation and meaning of feasible band boundaries in Multivariate Curve Resolution of a two-component system
    • Abdollahi H., Maeder M., Tauler R. Calculation and meaning of feasible band boundaries in Multivariate Curve Resolution of a two-component system. Anal. Chem. 2009, 81:2115-2122.
    • (2009) Anal. Chem. , vol.81 , pp. 2115-2122
    • Abdollahi, H.1    Maeder, M.2    Tauler, R.3
  • 22
    • 85163022030 scopus 로고
    • Window factor-analysis - theoretical derivation and application to flow-injection analysis data
    • Malinowski E.R. Window factor-analysis - theoretical derivation and application to flow-injection analysis data. J. Chemometr. 1992, 6:29-40.
    • (1992) J. Chemometr. , vol.6 , pp. 29-40
    • Malinowski, E.R.1
  • 23
    • 0000743403 scopus 로고
    • Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution
    • Kvalheim O.M., Liang Y.Z. Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution. Anal. Chem. 1992, 64:936-946.
    • (1992) Anal. Chem. , vol.64 , pp. 936-946
    • Kvalheim, O.M.1    Liang, Y.Z.2
  • 24
    • 0033973290 scopus 로고    scopus 로고
    • Resolution of two-way data from hyphenated chromatography by means of elementary matrix transformations
    • Manne R., Grande B.V. Resolution of two-way data from hyphenated chromatography by means of elementary matrix transformations. Chemom. Intell. Lab. Syst. 2000, 50:35-46.
    • (2000) Chemom. Intell. Lab. Syst. , vol.50 , pp. 35-46
    • Manne, R.1    Grande, B.V.2
  • 25
    • 46149140796 scopus 로고
    • The resolution of overlapping chromatographic peaks by evolving factor analysis
    • Maeder M., Zuberbuehler A.D. The resolution of overlapping chromatographic peaks by evolving factor analysis. Anal. Chim. Acta 1986, 181:287-291.
    • (1986) Anal. Chim. Acta , vol.181 , pp. 287-291
    • Maeder, M.1    Zuberbuehler, A.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.