R/bline.R

In kimsche/MetaboMate: All you need for NMR-based metabolic profiling with R!

#' Baseline correction for NMR spectra
#' @export
#' @aliases bline
#' @param X NMR data matrix or dataframe with rows representing spectra.
#' @description Baseline correction for NMR spectra. This function firstly estimates a baseline trend based on a asymmetric least squares. Secondly the estimated baseline is subtracted from the NMR spectrum. Baseline estimation uses the the \code{asysm} function as implemented in the \code{ptw} package.
#' @return Baseline corrected NMR matrix.
#' @seealso \code{\link{readBruker}} \code{\link[ptw]{asysm}}
#' @importFrom ptw asysm
#' @author Torben Kimhofer \email{tkimhofer@@gmail.com}
bline <- function(X) {
    X.bl <- t(apply(X, 1, function(x) {
        x - asysm(x)
    }))
    return(X.bl)
}