andurinha {andurinha}

andurinha: Tools to make spectroscopic data processing easier

Description

This package contains a set of functions that makes spectroscopic data processing easier and faster. It is intended for processing several spectra (tens to hundreds) of samples with similar composition. It compiles spectroscopy data files, produces standardised and second derivative spectra, finds peaks and allows to select the most significant ones based on the second derivative/absorbance sum spectrum. It also provides functions for graphic evaluation of the outputs.

andurinha functions

1. importSpectra: in case you have your spectra in separated files (.csv) this function imports and bind them in a single data frame.

2. findPeaks: finds peaks and allows to select the most relevant based on the second derivative sum spectrum.

3. gOverview: generates a graphic overview of the spectroscopic data.

4. plotPeaks: makes a graphic representation of the peaks over the second derivative/absorbance sum spectrum.