Imports: pls, amap, chemometrics, robustbase, RColorBrewer, plyr,
pcaPP, mvtnorm, mvoutlier, grid, rgl, R.utils, mclust, MASS,
baseline, IDPmisc, gsubfn, lattice, seriation
Packaged: 2013-08-14 15:47:33 UTC; bryanhanson

Packaged: 2013-08-16 13:34:31 UTC; bryanhanson

Packaged: 2013-09-12 00:19:10 UTC; bryanhanson

Packaged: 2013-09-20 14:52:36 UTC; bryanhanson

Packaged: 2014-05-31 13:07:17 UTC; bryanhanson

baseline, IDPmisc, gsubfn, lattice, seriation, clusterCrit,
Packaged: 2015-01-21 15:41:49 UTC; bryanhanson

Description: A collection of functions for plotting spectra (NMR, IR, Raman) and carrying out various forms of top-down exploratory data analysis, such as HCA, PCA, model-based clustering and STOCSY analysis.  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 illustrating typical operations is available.
Imports: pls, amap, chemometrics, robustbase, RColorBrewer, plyr, grid,
rgl, R.utils, mclust, baseline, gsubfn, lattice, seriation,
clusterCrit, speaq, MASS, pcaPP, exCon, NbClust, jsonlite, js
Packaged: 2015-03-10 14:36:15 UTC; bryanhanson

Suggests: mvbutils, sna, knitr, IDPmisc, amap, seriation, speaq,
clusterCrit, NbClust, R.utils, RColorBrewer, baseline, js,
jsonlite, exCon, mclust, gsubfn, lattice, pcaPP, pls, grid,
Packaged: 2015-03-16 13:07:46 UTC; bryanhanson

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), model-based clustering and statistical total correlation spectroscopy (STOCSY) analysis.  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.
Packaged: 2015-06-19 14:07:59 UTC; bryanhanson