spectrino Software: Spectra Visualization and Preparation for R

Abstract

spectrino is a spectra preparation software utility for the R language and environment for statistical computing. It is an operating-system specific tool, for use under Microsoft Windows, with specialized visualization, organization and preprocessing features for spectra. The software accepts spectral data from analytical instruments and then prepares a data structure to be introduced in R. spectrino has a rich set of features to create data structures and visually manipulate/compare spectra. The application is accessible by a library of functions from within R. These commands allow for the creation and manipulation of data structures in spectrino and the selective extraction of spectral data. Before exporting, the spectra are preprocessed according the requirements of consecutive discriminant analysis. This preprocessing is adjustable by a series of options.