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Semi-Automated Data Analysis for Ion-Selective Electrodes and Arrays Using the R Package ISEtools
oleh: Peter W. Dillingham, Basim S.O. Alsaedi, Aleksandar Radu, Christina M. McGraw
Format: | Article |
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Diterbitkan: | MDPI AG 2019-10-01 |
Deskripsi
A new software package, <b>ISEtools</b>, 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, <b>ISEtools</b> 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.