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
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 &gt;1500 lines of code, <b>ISEtools</b> provides a set of three core functions&#8212;loadISEdata, describeISE, and analyseISE&#8212; for analysing ion-selective electrode data using the Nikolskii&#8722;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.