R/PROCESS-Baseline.R

In jmstrat/NMR.Utils: Importing and processing Bruker NMR data

#' NMR Baseline correction
#'
#' Corrects the baseline for NMR Spectra
#' @param data A data frame of the form [ppm, intensity1, ...]
#' @param ... Additional parameters are passed to the baseline function (\code{\link[baseline]{baseline}})
#' @return An identical data frame containing the baseline corrected data
#' @export
#' @examples
#' correct_baseline(data, method="modpolyfit", degree=1)
correct_baseline <- function(data, ...) {
  # Perform baseline correction
  base <- baseline::baseline(t(data[, 2:ncol(data)]), ...)
  data[, 2:ncol(data)] <- t(baseline::getCorrected(base))
  data
}

#' NMR Baseline Analysis
#'
#' Analyses the baseline for NMR Spectra graphically. See \code{\link[baseline]{baselineGUI}} for information on additional software dependencies.
#' @param data A data frame of the form [ppm, intensity1, ...]
#' @return None
#' @export
#' @examples
#' analyse_baseline(data)
analyse_baseline <- function(data) {
  baseline::baselineGUI(t(data[, 2:length(data)]), rev.x=T, labels=data[, 1])
}