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dc.contributor.author
Olivieri, Alejandro Cesar
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dc.contributor.author
Neymeyr, Klaus
dc.contributor.author
Sawall, Mathias
dc.contributor.author
Tauler, Romá
dc.date.available
2022-07-08T18:32:40Z
dc.date.issued
2022-05
dc.identifier.citation
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
dc.identifier.issn
0169-7439
dc.identifier.uri
http://hdl.handle.net/11336/161780
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
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dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
FACPACK
dc.subject
MCR-BANDS
dc.subject
N-BANDS
dc.subject
NOISE EFFECTS
dc.subject
ROTATIONAL AMBIGUITY
dc.subject.classification
Química Analítica
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
How noise affects the band boundaries in multivariate curve resolution
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-07-04T19:59:33Z
dc.journal.volume
220
dc.journal.number
104472
dc.journal.pagination
1-7
dc.journal.pais
Países Bajos
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dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Química Rosario. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Instituto de Química Rosario; Argentina
dc.description.fil
Fil: Neymeyr, Klaus. Universität Rostock; Alemania. Leibniz-Institut für Katalyse; Alemania
dc.description.fil
Fil: Sawall, Mathias. Universität Rostock; Alemania
dc.description.fil
Fil: Tauler, Romá. Instituto de Diagnóstico Ambiental y Estudios del Agua; España. Consejo Superior de Investigaciones Científicas; España
dc.journal.title
Chemometrics and Intelligent Laboratory Systems
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.chemolab.2021.104472
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0169743921002409
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