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Closed Access item Quality assessment of the results obtained by multivariate curve resolution analysis of multiple runs of gasoline blending processes

Authors:Jaumot, Joaquim
Menezes, José C.
Tauler Ferré, Romà
Keywords:Multivariate curve resolution, Alternating least squares, Error propagation, Resampling methods, Multiway, Feasible bands, Rotation ambiguities
Issue Date:21-Nov-2006
Publisher:John Wiley & Sons
Citation:Journal of Chemometric 20(1-2): 54-67 (2006)
Abstract:This work presents a quality assessment study of the results obtained by multivariate curve resolution of multiple runs of gasoline blending processes. This evaluation is performed by noise propagation studies using resampling methods and by calculation of feasible bands due to rotational ambiguities. Results showed that combination of matrix augmentation and use of constraints strategies during alternating least squares optimization minimize both rotational ambiguities and error propagation effects in the resolved solutions. The proposed approach is tested for simulated and experimental data sets obtained in the study of blending processes of gasolines monitored by NIR spectroscopy.
Description:14 pages, 6 figures, 4 tables.
Publisher version (URL):http://dx.doi.org/10.1002/cem.985
Appears in Collections:(IDAEA) Artículos

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