ChemoSpec-package: Exploratory Chemometrics for Spectroscopy
In bryanhanson/ChemoSpec: Exploratory Chemometrics for Spectroscopy
ChemoSpec-package R Documentation
Exploratory Chemometrics for Spectroscopy
Description
A collection of functions for top-down exploratory data analysis of spectral
data obtained via nuclear magnetic resonance (NMR), infrared (IR) or Raman
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
with metabolomics data sets in mind, where the samples fall into groups such
as treatment and control. Graphical output is formatted consistently for
publication quality plots. ChemoSpec is intended to be very user friendly
and help you get usable results quickly. A vignette covering typical
operations is available.
Author(s)
Bryan A. Hanson (DePauw University), Tejasvi Gupta & Matthew J. Keinsley.
Maintainer: Bryan A. Hanson hanson@depauw.edu
See Also
Additional documentation at https://bryanhanson.github.io/ChemoSpec/
bryanhanson/ChemoSpec documentation built on Feb. 10, 2024, 1:17 a.m.
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| ChemoSpec-package | R Documentation |
Exploratory Chemometrics for Spectroscopy
Description
A collection of functions for top-down exploratory data analysis of spectral data obtained via nuclear magnetic resonance (NMR), infrared (IR) or Raman 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 with metabolomics data sets in mind, where the samples fall into groups such as treatment and control. Graphical output is formatted consistently for publication quality plots. ChemoSpec is intended to be very user friendly and help you get usable results quickly. A vignette covering typical operations is available.
Author(s)
Bryan A. Hanson (DePauw University), Tejasvi Gupta & Matthew J. Keinsley.
Maintainer: Bryan A. Hanson hanson@depauw.edu
See Also
Additional documentation at https://bryanhanson.github.io/ChemoSpec/
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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