R/datasets.R

In tonedivad/metaboGoS: Metabolomics

#' HilicRT.
#'
#' @name HilicRT.
#' @usage data(HilicRT)
#' @docType data
#' @keywords datasets
#' @format A data frame with RT from various hilic-related studies
NULL


#' MolFormDF.
#'
#' @name MolFormDF
#' @usage data(MolFormDF)
#' @docType data
#' @keywords datasets
#' @format Data.frame of in-house relevant compounds
NULL

#' IK2smi.
#'
#' @name IK2smi
#' @usage data(IK2smi)
#' @docType data
#' @keywords datasets
#' @format Vector of canonical SMILES with the 1st block inchikey
NULL

#' BGIons.
#'
#' @name BGIons
#' @usage data(BGIons)
#' @docType data
#' @keywords datasets
#' @format List of masses for mass calibration
NULL