"cliqueMS" annotates processed LC/MZ data. This R package obtains annotation for isotopes, ion adducts and fragmentation adducts. The adducts list can be supplied by the user or either use one of the package's lists.
Installation has been tested on Linux, Windows and macOS.
You can install it the "release" version from Bioconductor with:
if (!requireNamespace("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("cliqueMS", version = "3.10")To install the "devel" version just change the version parameter to 3.11.
Alternatively, you can install "cliqueMS" "devel" version from github with:
# install.packages("devtools")
devtools::install_github("osenan/cliqueMS")For a tutorial on "cliqueMS" please check the vignette:
browseVignettes("cliqueMS")