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.
| Version: |
4.4.17 |
| Depends: |
R (≥ 3.1) |
| Imports: |
plyr, stats, utils, grDevices |
| Suggests: |
mvbutils, sna, knitr, IDPmisc, js, speaq, NbClust, lattice, baseline, mclust, pls, clusterCrit, R.utils, RColorBrewer, seriation, MASS, robustbase, grid, pcaPP, jsonlite, gsubfn, amap, signal, rgl, readJDX |
| Published: |
2017-02-13 |
| Author: |
Bryan A. Hanson [aut, cre],
Mike Bostock [cph, ctb] (author of the d3.js library used in
plotSpectraJS, http://d3js.org) |
| Maintainer: |
Bryan A. Hanson <hanson at depauw.edu> |
| BugReports: |
https://github.com/bryanhanson/ChemoSpec/issues |
| License: |
GPL-3 |
| URL: |
https://github.com/bryanhanson/ChemoSpec |
| NeedsCompilation: |
no |
| Materials: |
NEWS |
| In views: |
ChemPhys |
| CRAN checks: |
ChemoSpec results |