Chemometrics web app part 1: Data handling

Chemometrics and Intelligent Laboratory Systems(2022)

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摘要
This work reports the release and the usability of the data handling app, an R application, to perform an initial evaluation and treatment of the data. This application allows using the data directly from the analytical instrument, so it does not require a deep knowledge of R software for the user. The data handling app allows removing variables or samples, selecting a region or interesting variables, performing basic statistical analysis, descriptive analysis, several data imputations, spectra transformation, variables preprocessing, and normality-inducing transformation. Three datasets with some common features of chemical data were pretreated to highlight the app's usability. So, the main idea of this application is to allow chemometrics users to perform all the basic data pretreatment properly and perform an initial analysis of the data even with no knowledge of R programming. Besides, the data handling app is an open-access code available to be used on RStudio free environment at the computer or on cloud computing using computers, tablets, smartphones, or similar devices, even without installing any software.
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关键词
Chemometrics,RStudio,Preprocessing,Missing data,Data handling,RShiny
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