octopode/tidychrom: A Dead Simple Toolkit for Quantitative Chromatography

Provides functions for compound identification and quantification from, plus visual inspection of, raw chromatographic data. The only requirements for input data are: [1] retention time (RT), [2] a spectral x-axis value (wavelength, m/z or similar), and [3] an intensity value (ion count, absorbance, emission, etc.) Functions are included for easy reading and writing of common MS1 file formats, courtesy of mzR and the proteowizard backend. Within tidychrom workflows, all data are stored and processed using the tidyverse to maximize accessibility and extensibility. There are *no* custom classes.

install.packages("remotes")
remotes::install_github("octopode/tidychrom")