#' Filling and grouping checker
#'
#' Function to check the peak filling and grouping. Every group gets a score for the mz range, the RT range and the filling/
#' For example, filled peaks cannot have intensities considerably larger than the already present peaks.
#' This violates the assumption that these peaks are missed in peak detection because they are smaller.
#'
#'
#' @param XCMSobject An xcmsSet after peak grouping and optionally after peak filling.
#'
#' @return
#' A data.frame with quality control metrics for each group.
#'
#' @author Charlie Beirnaert, \email{charlie.beirnaert@@uantwerpen.be}
#'
#'
#' @export
GroupFillCheck = function(XCMSobject){
# check for nr duplicate samples,
# ratio of peak filled samples
# distribution of peak filled peaks vs present peaks
# spread in mz (ppm)
# width in RT
GroupFill.QC = data.frame(matrix(NA, ncol = 8))
for(ft in 1:nrow(XCMSobject@groups)){
grp = XCMSobject
}
}
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.