A closed-form expression for computing the sensitivity in second-order bilinear calibration
- Autores
- Olivieri, Alejandro Cesar; Faber, Nicolaas (Klaas) M.
- Año de publicación
- 2005
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- A general expression is derived for estimating the sensitivity of second-order bilinear calibration models, particularly parallel factor analysis (PARAFAC) and bilinear least-squares (BLLS), whether the second-order advantage is required or not. In the latter case, the sensitivity is correctly estimated either if the advantage is achieved by processing the unknown sample together with the calibration set (PARAFAC), or by post-calibration residual bilinearization (BLLS). The expression includes, as special cases, the sensitivity expressions already discussed by Messick, Kalivas and Lang (MKL) and by Ho, Christian and Davidson (HCD). The former one is the maximum achievable sensitivity in a given calibration situation, where all components are present in the calibration set of samples. The latter approach gives the lowest possible sensitivity, corresponding to only calibrating the analyte of interest, leaving the remaining components as uncalibrated constituents of the unknown sample. In intermediate situations, that is more than one calibrated analyte and presence of unexpected components in the unknown sample, only the present approach is able to provide a satisfactory sensitivity parameter, in close agreement with previously described Monte Carlo numerical simulations.
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
Fil: Faber, Nicolaas (Klaas) M.. Chemometry Consultancy; Países Bajos - Materia
-
BILINEAR LEAST-SQUARES
NET ANALYTE SIGNAL
PARALLEL FACTOR ANALYSIS
SECOND-ORDER BILINEAR CALIBRATION
SENSITIVITY - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/135504
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spelling |
A closed-form expression for computing the sensitivity in second-order bilinear calibrationOlivieri, Alejandro CesarFaber, Nicolaas (Klaas) M.BILINEAR LEAST-SQUARESNET ANALYTE SIGNALPARALLEL FACTOR ANALYSISSECOND-ORDER BILINEAR CALIBRATIONSENSITIVITYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A general expression is derived for estimating the sensitivity of second-order bilinear calibration models, particularly parallel factor analysis (PARAFAC) and bilinear least-squares (BLLS), whether the second-order advantage is required or not. In the latter case, the sensitivity is correctly estimated either if the advantage is achieved by processing the unknown sample together with the calibration set (PARAFAC), or by post-calibration residual bilinearization (BLLS). The expression includes, as special cases, the sensitivity expressions already discussed by Messick, Kalivas and Lang (MKL) and by Ho, Christian and Davidson (HCD). The former one is the maximum achievable sensitivity in a given calibration situation, where all components are present in the calibration set of samples. The latter approach gives the lowest possible sensitivity, corresponding to only calibrating the analyte of interest, leaving the remaining components as uncalibrated constituents of the unknown sample. In intermediate situations, that is more than one calibrated analyte and presence of unexpected components in the unknown sample, only the present approach is able to provide a satisfactory sensitivity parameter, in close agreement with previously described Monte Carlo numerical simulations.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; ArgentinaFil: Faber, Nicolaas (Klaas) M.. Chemometry Consultancy; Países BajosJohn Wiley & Sons Ltd2005-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/135504Olivieri, Alejandro Cesar; Faber, Nicolaas (Klaas) M.; A closed-form expression for computing the sensitivity in second-order bilinear calibration; John Wiley & Sons Ltd; Journal of Chemometrics; 19; 11-12; 11-2005; 583-5920886-9383CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1002/cem.964info:eu-repo/semantics/altIdentifier/url/https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/cem.964info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:36:14Zoai:ri.conicet.gov.ar:11336/135504instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:36:14.387CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
title |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
spellingShingle |
A closed-form expression for computing the sensitivity in second-order bilinear calibration Olivieri, Alejandro Cesar BILINEAR LEAST-SQUARES NET ANALYTE SIGNAL PARALLEL FACTOR ANALYSIS SECOND-ORDER BILINEAR CALIBRATION SENSITIVITY |
title_short |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
title_full |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
title_fullStr |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
title_full_unstemmed |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
title_sort |
A closed-form expression for computing the sensitivity in second-order bilinear calibration |
dc.creator.none.fl_str_mv |
Olivieri, Alejandro Cesar Faber, Nicolaas (Klaas) M. |
author |
Olivieri, Alejandro Cesar |
author_facet |
Olivieri, Alejandro Cesar Faber, Nicolaas (Klaas) M. |
author_role |
author |
author2 |
Faber, Nicolaas (Klaas) M. |
author2_role |
author |
dc.subject.none.fl_str_mv |
BILINEAR LEAST-SQUARES NET ANALYTE SIGNAL PARALLEL FACTOR ANALYSIS SECOND-ORDER BILINEAR CALIBRATION SENSITIVITY |
topic |
BILINEAR LEAST-SQUARES NET ANALYTE SIGNAL PARALLEL FACTOR ANALYSIS SECOND-ORDER BILINEAR CALIBRATION SENSITIVITY |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
A general expression is derived for estimating the sensitivity of second-order bilinear calibration models, particularly parallel factor analysis (PARAFAC) and bilinear least-squares (BLLS), whether the second-order advantage is required or not. In the latter case, the sensitivity is correctly estimated either if the advantage is achieved by processing the unknown sample together with the calibration set (PARAFAC), or by post-calibration residual bilinearization (BLLS). The expression includes, as special cases, the sensitivity expressions already discussed by Messick, Kalivas and Lang (MKL) and by Ho, Christian and Davidson (HCD). The former one is the maximum achievable sensitivity in a given calibration situation, where all components are present in the calibration set of samples. The latter approach gives the lowest possible sensitivity, corresponding to only calibrating the analyte of interest, leaving the remaining components as uncalibrated constituents of the unknown sample. In intermediate situations, that is more than one calibrated analyte and presence of unexpected components in the unknown sample, only the present approach is able to provide a satisfactory sensitivity parameter, in close agreement with previously described Monte Carlo numerical simulations. 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 Fil: Faber, Nicolaas (Klaas) M.. Chemometry Consultancy; Países Bajos |
description |
A general expression is derived for estimating the sensitivity of second-order bilinear calibration models, particularly parallel factor analysis (PARAFAC) and bilinear least-squares (BLLS), whether the second-order advantage is required or not. In the latter case, the sensitivity is correctly estimated either if the advantage is achieved by processing the unknown sample together with the calibration set (PARAFAC), or by post-calibration residual bilinearization (BLLS). The expression includes, as special cases, the sensitivity expressions already discussed by Messick, Kalivas and Lang (MKL) and by Ho, Christian and Davidson (HCD). The former one is the maximum achievable sensitivity in a given calibration situation, where all components are present in the calibration set of samples. The latter approach gives the lowest possible sensitivity, corresponding to only calibrating the analyte of interest, leaving the remaining components as uncalibrated constituents of the unknown sample. In intermediate situations, that is more than one calibrated analyte and presence of unexpected components in the unknown sample, only the present approach is able to provide a satisfactory sensitivity parameter, in close agreement with previously described Monte Carlo numerical simulations. |
publishDate |
2005 |
dc.date.none.fl_str_mv |
2005-11 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/135504 Olivieri, Alejandro Cesar; Faber, Nicolaas (Klaas) M.; A closed-form expression for computing the sensitivity in second-order bilinear calibration; John Wiley & Sons Ltd; Journal of Chemometrics; 19; 11-12; 11-2005; 583-592 0886-9383 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/135504 |
identifier_str_mv |
Olivieri, Alejandro Cesar; Faber, Nicolaas (Klaas) M.; A closed-form expression for computing the sensitivity in second-order bilinear calibration; John Wiley & Sons Ltd; Journal of Chemometrics; 19; 11-12; 11-2005; 583-592 0886-9383 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1002/cem.964 info:eu-repo/semantics/altIdentifier/url/https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/cem.964 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
John Wiley & Sons Ltd |
publisher.none.fl_str_mv |
John Wiley & Sons Ltd |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1844613134603517952 |
score |
13.070432 |