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Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools

A new software package, ISEtools, is introduced for use within the popular open-source programming language R that allows Bayesian statistical data analysis techniques to be implemented in a straightforward manner. Incorporating all collected data simultaneously, this Bayesian approach naturally acc...

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Detalles Bibliográficos
Autores principales: Dillingham, Peter W., Alsaedi, Basim S.O., Radu, Aleksandar, McGraw, Christina M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832938/
https://www.ncbi.nlm.nih.gov/pubmed/31635039
http://dx.doi.org/10.3390/s19204544
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author Dillingham, Peter W.
Alsaedi, Basim S.O.
Radu, Aleksandar
McGraw, Christina M.
author_facet Dillingham, Peter W.
Alsaedi, Basim S.O.
Radu, Aleksandar
McGraw, Christina M.
author_sort Dillingham, Peter W.
collection PubMed
description A new software package, ISEtools, is introduced for use within the popular open-source programming language R that allows Bayesian statistical data analysis techniques to be implemented in a straightforward manner. Incorporating all collected data simultaneously, this Bayesian approach naturally accommodates sensor arrays and provides improved limit of detection estimates, including providing appropriate uncertainty estimates. Utilising >1500 lines of code, ISEtools provides a set of three core functions—loadISEdata, describeISE, and analyseISE— for analysing ion-selective electrode data using the Nikolskii–Eisenman equation. The functions call, fit, and extract results from Bayesian models, automatically determining data structures, applying appropriate models, and returning results in an easily interpretable manner and with publication-ready figures. Importantly, while advanced statistical and computationally intensive methods are employed, the functions are designed to be accessible to non-specialists. Here we describe basic features of the package, demonstrated through a worked environmental application.
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spelling pubmed-68329382019-11-25 Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools Dillingham, Peter W. Alsaedi, Basim S.O. Radu, Aleksandar McGraw, Christina M. Sensors (Basel) Article A new software package, ISEtools, is introduced for use within the popular open-source programming language R that allows Bayesian statistical data analysis techniques to be implemented in a straightforward manner. Incorporating all collected data simultaneously, this Bayesian approach naturally accommodates sensor arrays and provides improved limit of detection estimates, including providing appropriate uncertainty estimates. Utilising >1500 lines of code, ISEtools provides a set of three core functions—loadISEdata, describeISE, and analyseISE— for analysing ion-selective electrode data using the Nikolskii–Eisenman equation. The functions call, fit, and extract results from Bayesian models, automatically determining data structures, applying appropriate models, and returning results in an easily interpretable manner and with publication-ready figures. Importantly, while advanced statistical and computationally intensive methods are employed, the functions are designed to be accessible to non-specialists. Here we describe basic features of the package, demonstrated through a worked environmental application. MDPI 2019-10-19 /pmc/articles/PMC6832938/ /pubmed/31635039 http://dx.doi.org/10.3390/s19204544 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Dillingham, Peter W.
Alsaedi, Basim S.O.
Radu, Aleksandar
McGraw, Christina M.
Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title_full Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title_fullStr Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title_full_unstemmed Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title_short Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
title_sort semi-automated data analysis for ion-selective electrodes and arrays using the r package isetools
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832938/
https://www.ncbi.nlm.nih.gov/pubmed/31635039
http://dx.doi.org/10.3390/s19204544
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