R/MUD.R

In ChemoSpec2D: Exploratory Chemometrics for 2D Spectroscopy

#'
#' Made Up 2D NMR-Like Data Sets
#'
#' Made Up Data that resemble simple, HSQC-like 2D NMR data sets.  Lean, low resolution
#' and designed primarily to check graphics and test functions. \pkg{As this is made up
#' data, there is no underlying tri-linear structure and therefore one should NOT try to interpret
#' the output of \code{miaSpectra2D} or \code{pfacSpectra2D} run on this data}.
#' \itemize{
#'   \item \code{MUD1} is intended to test and demonstrate data reduction functions.  The HSQC-like data
#' is derived from the 1H and 13C spectra of 3-methyl-1-butanol and the corresponding ethyl ether,
#' idealized slightly for simplicity. There are 10 spectra.  Sample 1 is the alcohol; samples 2-5 are
#' the alcohol with local shifts (specifically, two peaks have been shifted +/- one data point).
#' Samples 6-10 are the ether, treated in a similar fashion.
#'   \item \code{MUD2} is intended to test and demonstrate alignment algorithms.  The HSQC-like data
#' is derived from the 1H and 13C spectra of 3-methyl-1-butanol, idealized slightly for
#' simplicity. There are 10 spectra.  The first one is "correct" and the other samples have global shifts on one
#' or both dimensions.
#' }
#'
#' @author Bryan A. Hanson, DePauw University.
#'
#' @name MUD
#' @aliases MUD1 MUD2
#'
#' @docType data
#'
#' @format The data are stored as a \code{\link{Spectra2D}} object.
#'
#' @source Created from scratch. Contact the author for a script if interested.
#'
#' @keywords datasets
#'
#'
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