GC/LC-MS Data Analysis for Environmental Science

Gas/Liquid Chromatography-Mass Spectrometer(GC/LC-MS) Data Analysis for Environmental Science. This package covered topics such molecular isotope ratio, matrix effects and Short-Chain Chlorinated Paraffins analysis etc. in environmental analysis.

enviGCMS: GC-MS Data Analysis for Environmental Science

enviGCMS provides functions for GC/LC-MS data analysis for environmental sciences. It features the native HORIZON (Heavy-first Ordered Recursive Inference with Zero-loop Optimal Navigation) engine for high-performance chemical formula decomposition, isotope pattern simulation, and Kind & Fiehn Seven Golden Rules validation with zero external dependencies.

Installation

You can either use the stable version of enviGCMS from CRAN,

install.packages("enviGCMS")

or the current development snapshot from this GitHub repository:

remotes::install_github("yufree/enviGCMS")

This package has removed the depends/suggests on xcms package as it is a package with too many unstable depends. If you need to use the functions with xcms, please find the release version of enviGCMS 0.7.4 or install rmwf package from github, which adopted most of those functions.

Usage

Check this vignette for Data analysis of GC-MS and LC-MS in Environmental Science.

Check this vignette for Pooled QC analysis in Environmental Science.

Detailed usage of functions in Environmental analysis could be found in this paper and the vignettes in this package.