Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial

Autores
Olivieri, Alejandro Cesar
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Practical guidelines for reporting analytical calibration results are provided. General topics, such as the number of reported significant figures and the optimization of analytical procedures, affect all calibration scenarios. In the specific case of single-component or univariate calibration, relevant issues discussed in the present Tutorial include: (1) how linearity can be assessed, (2) how to correctly estimate the limits of detection and quantitation, (2) when and how standard addition should be employed, (3) how to apply recovery studies for evaluating accuracy and precision, and (4) how average prediction errors can be compared for different analytical methodologies. For multi-component calibration procedures based on multivariate data, pertinent subjects here included are the choice of algorithms, the estimation of analytical figures of merit (detection capabilities, sensitivity, selectivity), the use of non-linear models, the consideration of the model regression coefficients for variable selection, and the application of certain mathematical pre-processing procedures such as smoothing.
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
Materia
Química Analítica
Quimiometría
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/6001
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/6001
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorialOlivieri, Alejandro CesarQuímica AnalíticaQuimiometríahttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Practical guidelines for reporting analytical calibration results are provided. General topics, such as the number of reported significant figures and the optimization of analytical procedures, affect all calibration scenarios. In the specific case of single-component or univariate calibration, relevant issues discussed in the present Tutorial include: (1) how linearity can be assessed, (2) how to correctly estimate the limits of detection and quantitation, (2) when and how standard addition should be employed, (3) how to apply recovery studies for evaluating accuracy and precision, and (4) how average prediction errors can be compared for different analytical methodologies. For multi-component calibration procedures based on multivariate data, pertinent subjects here included are the choice of algorithms, the estimation of analytical figures of merit (detection capabilities, sensitivity, selectivity), the use of non-linear models, the consideration of the model regression coefficients for variable selection, and the application of certain mathematical pre-processing procedures such as smoothing.Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; ArgentinaElsevier2015-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/6001Olivieri, Alejandro Cesar; Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial; Elsevier; Analytica Chimica Acta; 868; 3-2015; 10-220003-2670enginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267015000537info:eu-repo/semantics/altIdentifier/doi/10.1016/j.aca.2015.01.017info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:50:13Zoai:ri.conicet.gov.ar:11336/6001instacron: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:34982025-10-15 14:50:13.643CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
title Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
spellingShingle Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
Olivieri, Alejandro Cesar
Química Analítica
Quimiometría
title_short Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
title_full Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
title_fullStr Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
title_full_unstemmed Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
title_sort Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial
dc.creator.none.fl_str_mv Olivieri, Alejandro Cesar
author Olivieri, Alejandro Cesar
author_facet Olivieri, Alejandro Cesar
author_role author
dc.subject.none.fl_str_mv Química Analítica
Quimiometría
topic Química Analítica
Quimiometría
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Practical guidelines for reporting analytical calibration results are provided. General topics, such as the number of reported significant figures and the optimization of analytical procedures, affect all calibration scenarios. In the specific case of single-component or univariate calibration, relevant issues discussed in the present Tutorial include: (1) how linearity can be assessed, (2) how to correctly estimate the limits of detection and quantitation, (2) when and how standard addition should be employed, (3) how to apply recovery studies for evaluating accuracy and precision, and (4) how average prediction errors can be compared for different analytical methodologies. For multi-component calibration procedures based on multivariate data, pertinent subjects here included are the choice of algorithms, the estimation of analytical figures of merit (detection capabilities, sensitivity, selectivity), the use of non-linear models, the consideration of the model regression coefficients for variable selection, and the application of certain mathematical pre-processing procedures such as smoothing.
Fil: Olivieri, Alejandro Cesar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina
description Practical guidelines for reporting analytical calibration results are provided. General topics, such as the number of reported significant figures and the optimization of analytical procedures, affect all calibration scenarios. In the specific case of single-component or univariate calibration, relevant issues discussed in the present Tutorial include: (1) how linearity can be assessed, (2) how to correctly estimate the limits of detection and quantitation, (2) when and how standard addition should be employed, (3) how to apply recovery studies for evaluating accuracy and precision, and (4) how average prediction errors can be compared for different analytical methodologies. For multi-component calibration procedures based on multivariate data, pertinent subjects here included are the choice of algorithms, the estimation of analytical figures of merit (detection capabilities, sensitivity, selectivity), the use of non-linear models, the consideration of the model regression coefficients for variable selection, and the application of certain mathematical pre-processing procedures such as smoothing.
publishDate 2015
dc.date.none.fl_str_mv 2015-03
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/11336/6001
Olivieri, Alejandro Cesar; Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial; Elsevier; Analytica Chimica Acta; 868; 3-2015; 10-22
0003-2670
url http://hdl.handle.net/11336/6001
identifier_str_mv Olivieri, Alejandro Cesar; Practical guidelines for reporting results in single- and multi-component analytical calibration: A tutorial; Elsevier; Analytica Chimica Acta; 868; 3-2015; 10-22
0003-2670
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0003267015000537
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.aca.2015.01.017
info:eu-repo/semantics/altIdentifier/doi/
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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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score 13.22299

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