Artículo
How noise affects the band boundaries in multivariate curve resolution
Fecha de publicación:
05/2022
Editorial:
Elsevier Science
Revista:
Chemometrics and Intelligent Laboratory Systems
ISSN:
0169-7439
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Three models are compared regarding the estimation of the boundaries of the range of feasible bilinear solutions brought about by rotational ambiguity in the presence of noise. A two-component system having significant overlapping between the component profiles in both data modes has been studied using FACPACK, based on the so-called polygon inflation algorithm, and two procedures which estimate the extreme profiles corresponding to maximum and minimum signal contribution function: MCR-BANDS and N-BANDS. These latter two models operate by applying different constraints during the optimization phase. Non-negativity was applied as the only constraint on the retrieved profiles. The results were compared with a simulation based on the addition of identically and independently distributed noise at two levels. An experimental system was also analyzed regarding the combined effect of rotational ambiguity and instrumental noise.
Palabras clave:
FACPACK
,
MCR-BANDS
,
N-BANDS
,
NOISE EFFECTS
,
ROTATIONAL AMBIGUITY
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Articulos(IQUIR)
Articulos de INST.DE QUIMICA ROSARIO
Articulos de INST.DE QUIMICA ROSARIO
Citación
Olivieri, Alejandro Cesar; Neymeyr, Klaus; Sawall, Mathias; Tauler, Romá; How noise affects the band boundaries in multivariate curve resolution; Elsevier Science; Chemometrics and Intelligent Laboratory Systems; 220; 104472; 5-2022; 1-7
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