A collection of functions for exploratory chemometrics of 2D spectroscopic data sets such as COSY (correlated spectroscopy) and HSQC (heteronuclear single quantum coherence) 2D NMR (nuclear magnetic resonance) spectra. 'ChemoSpec2D' deploys methods aimed primarily at classification of samples and the identification of spectral features which are important in distinguishing samples from each other. Each 2D spectrum (a matrix) is treated as the unit of observation, and thus the physical sample in the spectrometer corresponds to the  sample from a statistical perspective.  In addition to chemometric tools, a few tools are provided for plotting 2D spectra, but these are not intended to replace the functionality typically available on the spectrometer. 'ChemoSpec2D' takes many of its cues from 'ChemoSpec' and tries to create consistent graphical output and to be very user friendly.

Exploratory Chemometrics for 2D Spectroscopy

package-ubuntu-20.04-r-4.0.5#cran#ChemoSpec2D-0.4.187

<p>This function opens the files containing the contour scale in an appropriate viewer.
One file has a white background and the other a black background.
</p>

## Not run: 
showScale()

## End(Not run)

package-ubuntu-20.04-r-4.0.5#cran#ChemoSpec2D-0.4.187#docs#showScale

showScale

Description

Usage

Examples

ChemoSpec2D

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