computeVolume

An object of S3 class <code><a rd-options="" href="/link/Spectra2D?package=ChemoSpec2D&version=0.5.0" data-mini-rdoc="ChemoSpec2D::Spectra2D">Spectra2D</a></code>.

spectra

A formula giving a frequency range. May include
"low" or "high" representing the extremes of the spectra. Values below or above the range of
F2 are tolerated without notice and are handled as <code>min</code> or <code>max</code>, respectively.

F2range

As for <code>F2range</code>, but for the F1 dimension.

F1range

This function takes a range of frequencies for each dimension, and calculates
the volume of the enclosed region.

utilities

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.

Bryan Hanson

ChemoSpec2D

Exploratory Chemometrics for 2D Spectroscopy

Bryan A. Hanson

computeVolume function

An object of S3 class <code><a rd-options='' href='Spectra2D'>Spectra2D</a></code>.

computeVolume: Compute the Volume of a Specified Shift Range in a 2D Spectrum

Description

Usage

Arguments

Value

Examples