R/spec.R

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

#' Simple plotting of a single NMR spectrum
#' @export
#' @param ppm ppm vector.
#' @param x NMR spectrum.
#' @param shift chemical shift region to be plotted.
#' @param add Logical indicating if spectrum should be added to a current plot generated with \code{spec()} or \code{matspec()}.
#' @param ... Additional parameters to be passed on to the plot function.
#' @seealso  \code{\link{matspec}} \code{\link{plot}}
#' @aliases spec
#' @details Low-level plotting function for a single NMR spectrum.
#' @author Torben Kimhofer \email{tkimhofer@@gmail.com}
#' @importFrom graphics points
spec <- function(ppm, x, shift = c(0, 9.5), add = F, ...) {
    idx <- get.idx(shift, ppm)
    if (add == T) {
        points(ppm[idx], x[idx], type = "l", ...)
    } else {
        plot(ppm[idx], x[idx], type = "l", xlim = rev(range(ppm[idx])), xlab = "ppm", ylab = "Intensity", ...)
    }
}