sumGroups

<p>This function is used by <code>ChemoSpec</code> and <code>ChemoSpec2D</code>, but is
formally part of <code>ChemoSpecUtils</code>.  You can access
full documentation via <code><a rd-options="ChemoSpecUtils" href="/link/sumGroups?package=ChemoSpec&version=5.1.48&to=ChemoSpecUtils" data-mini-rdoc="ChemoSpecUtils::sumGroups">sumGroups</a></code>.</p>

A collection of functions for top-down exploratory data analysis
of spectral data including nuclear magnetic resonance (NMR), infrared (IR),
Raman, X-ray fluorescence (XRF) and other similar types of spectroscopy.
Includes functions for plotting and inspecting spectra, peak alignment,
hierarchical cluster analysis (HCA), principal components analysis (PCA) and
model-based clustering. Robust methods appropriate for this type of
high-dimensional data are available. ChemoSpec is designed for structured
experiments, such as metabolomics investigations, where the samples fall into
treatment and control groups. Graphical output is formatted consistently for
publication quality plots. ChemoSpec is intended to be very user friendly and
to help you get usable results quickly. A vignette covering typical operations
is available.

Bryan Hanson

ChemoSpec

Exploratory Chemometrics for Spectroscopy

Bryan A. Hanson

Mike Bostock

Matt Keinsley

sumGroups function

<p>This function is used by <code>ChemoSpec</code> and <code>ChemoSpec2D</code>, but is
formally part of <code>ChemoSpecUtils</code>.  You can access
full documentation via <code><a rd-options='ChemoSpecUtils' href='sumGroups'>sumGroups</a></code>.</p>

sumGroups: Summarize the Group Membership of a Spectra or Spectra2D Object

Description

Arguments