A collection of functions for plotting spectra (NMR, IR etc) and carrying out various forms of top-down exploratory data analysis, such as HCA, PCA and model-based clustering. The design allows comparison of data from samples which fall into groups such as treatment vs. control. Robust methods appropriate for this type of high-dimensional data are available. ChemoSpec is designed to be very user friendly and suitable for people with limited background in R.
| Version: |
2.0-2 |
| Depends: |
R (≥ 3.0) |
| Imports: |
pls, amap, chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm, mvoutlier, grid, rgl, R.utils, mclust, MASS, baseline, IDPmisc, gsubfn, lattice, seriation |
| Suggests: |
mvbutils, sna, knitr |
| Published: |
2014-05-31 |
| Author: |
Bryan A. Hanson DePauw University, Greencastle Indiana USA |
| Maintainer: |
Bryan A. Hanson <hanson at depauw.edu> |
| BugReports: |
https://github.com/bryanhanson/ChemoSpec/issues |
| License: |
GPL-3 |
| URL: |
http://academic.depauw.edu/~hanson/ChemoSpec/ChemoSpec.html |
| NeedsCompilation: |
no |
| Materials: |
NEWS |
| In views: |
ChemPhys |
| CRAN checks: |
ChemoSpec results |