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C. Multivariate Data Analysis and Statistics

Ship fuel consumption monitoring and fault detection via partial least squares and control charts of navigation data. Transportation Research Part D: Transport and Environment.
Capezza C, Coleman, SY, Lepore A, Palumbo B, Vitiello L.
in press,
DOI 10.1016/j.trd.2018.11.009
2019

C1 Multivariate data analysis

A MATLAB toolbox for data pre-processing and multivariate statistical process control.
Yi G, Herdsman C, Morris J
Chemometrics and Intelligent Laboratory Systems 194 (2019) 103863
DOI10.1016/j.chemolab.2019.103863
 
A comparative investigation of the combined effects of pre-processing, wavelength selection and regression methods on near infrared calibration model performance,
Wan J., Chen, Y.-C., Morris, J. A. and Thennadil, S. N
Applied Spectroscopy, 2017, Jul:71 (7), 1432-1446
DOI 10.1177/0003702817694623
Calibration of multiplexed fibre optic spectroscopy
Chen ZP, Zhong LJ, Nordon A, Littlejohn D, Holden M, Fazenda M, Harvey L, McNeil B, Faulkner J and Morris J
Analytical Chemistry, 2011, 83, 2655-2659
DOI 10.1021/ac103145a
Classifying with confidence using Bayes rule and kernel density estimation
Fearn T, Perez Marin D, Garrido Varo A, Guerrero Ginel J E
Chemometrics and Intelligent Laboratory Systems, 2019, doi: 10.1016/j.chemlab.2019.04.0004
DOI 10.1021/ac103145a
Comparison of partial least squares regression, least squares support vector machines and Gaussian process regression for a near infrared calibration
Cui C and Fearn T
Journal of Near Infrared Spectroscopy, 2017, 25(1), 5 - 14
DOI 10.1021/ac103145a
Determination of optimum number of components in partial least squares regression from distributions of the root-mean-squared error obtained by Monte Carlo resampling
Kvalheim O M; Arneberg R; Grung B; Rajalahti T
Chemometrics, 2018, 32 e2993
DOI 10.1002/cem.2993
Effect of particle size distribution on spatially and angularly resolved diffuse reflectance measurement
Chen Yi-Chieh, Tiernan-Vandermotten Sarra, Lue Leo, Ferreira Carla Sofia, Sefcik Jan, Thannadil Suresh
European Pharamaceutical Review, 2018, 23, 34-37
DOI 10.1117/12.840578
Gaussian process regression for multivariate spectroscopic calibration
Chen T, Morris J and Martin E
Chemometrics and Intelligent Laboratory Systems, 2007, 87, 59-71
DOI 10.1016/j.chemolab.2006.09.004
Hierarchical mixture of linear regressions for multivariate spectroscopic calibration: An application for NIR calibration.
Cui C, Fearn T
Chemometrics and Intelligent Laboratory Systems, 2018, doi:10.1016/j.chemolab.217.12.013
DOI 10.1016/j.chemolab.2017.12.013
Image analysis framework with focus evaluation for in situ characterisation of particle size and shape attributes
Cardona Javier, Ferreira Carla, McGinty John, Hamilton, Andrew, Agimelen Okpeafoh S, Cleary Alison, Atkinson Robert, Michie Craig, Marshall Stephen, Chen Yi-Chieh, Sefcik Jan, Andonovic Ivan, Tachtatzis Christos
Chemical Engineering Science, 2018, Vol 191, 208-231
DOI 10.1016/j.ces.2018.06.067
Insight from data analytics with an automotive aftermarket SME
Smith W, Coleman S, Bacardit J, Coxon S
Quality and Reliability Engineering International, 2019
DOI 10.1002/qre.2529
Modern practical convolutional neural networks for multivariate regression: Applications to NIR calibration
Cui C and Fearn T
Chemometrics and Intelligent Laboratory Systems, 2018, doi:10.1016/j.chemolab.2018.07.008
DOI 10.1016/j.chemolab.2018.07.008
Number of components and prediction error in partial least squares regression determined by Monte Carlo resampling strategies
Kvalheim O M; Grung B; Rajalahti T
Chemometrics and Intelligent Laboratory Systems, 2019, 188, 79-86
DOI 10.1016/j.chemolab.2019.03.006
Process analytical technology and compensating for nonlinear effects in process spectroscopic data for improved process monitoring and control
Chen Z and Morris J
Biotechnology J., 2009, 4(5), 610-619
DOI 10.1016/j.chemolab.2019.03.006
Quantitative analysis of powder mixtures by Raman spectrometry: the influence of particle size and its correction
Chen Z, Li L, Jin J, Nordon A, Littlejohn D, Yang J, Zhang J and Yu R
Analytical Chemistry, 2012, 84, 4088-4094
DOI 10.1021/ac300189p
Spatially and angularly resolved spectroscopy for in-situ estimation of concentration and particle size in colloidal suspensions
Chen Yi-Chieh, Foo David, Dehanov Nicolau, Thennadil Suresh N
Analytical and Bioanalytical Chemistry, 2017, 409, 6975-6988
DOI 10.1021/ac300189p

C2 Calibration transfer/model maintenance

An advanced calibration strategy for in situ quantitative monitoring of solvent-mediated phase transition processes using FT-Raman spectroscopy
Chen Z-P, Fevotte G, Littlejohn D and Morris A J
Analytical Chemistry, 2008, 80, 6658-6665
DOI 10.1021/ac300189p
Calibration of multiplexed fibre optic spectroscopy
Chen ZP, Zhong LJ, Nordon A, Littlejohn D, Holden M, Fazenda M, Harvey L, McNeil B, Faulkner J and Morris J
Analytical Chemistry, 2011, 83, 2655-2659
DOI 10.1021/ac103145a
Fermentation process tracking through enhanced spectral calibration modeling
Triadaphillou S, Martin E, Montague G, Nordon A, Jeffkins P and Stimpson S
Biotechnol. Bioeng., 2007, 97, 554-567
DOI 10.1002/bit.21248
Gaussian process regression for multivariate spectroscopic calibration
Chen T, Morris J and Martin E
Chemometrics and Intelligent Laboratory Systems, 2007, 87, 59-71
DOI 10.1016/j.chemolab.2006.09.004
Maintaining the predictive abilities of multivariate calibration models by spectral space transformation
Du W, Chen ZP, Zhong LJ, Wang SX, Yu RQ, Nordon A, Littlejohn D and Holden M
Analytica Chimica Acta, 2011, 690, 64-70
DOI 10.1016/j.aca.2011.02.014
Maintenance of a calibration model for near infrared spectrometry by a combined principal component analysis/partial least squares approach
Setarehdan S K, Soraghan J J, Littlejohn D, Sadler D A
Analytica Chimica Acta,, 2002, 452, 35-45
DOI 10.1016/s0003-2670(01)01446-5
Systematic prediction error correction: A novel strategy for maintaining the predictive abilities of multivariate calibration models
Chen ZP, Li LM, Yu RQ, Littlejohn D, Nordon A, Morris AJ, Dann AS, Jeffkins PA, Richardson MD and Stimpson SL
Analyst, 2011, 136, 98-106
DOI 10.1039/c0an00171f
Variable selection for PLS calibration of NIR data from othogonally designed experiements
Setarehdan S K, Soraghan J J, Littlejohn D, Sadler D A
Applied Spectroscopy, 2002, 56, 337-345
DOI 10.1366/0003702021954692