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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.

copied from cf-post-staging / r-chemospec
Type Size Name Uploaded Downloads Labels
conda 3.1 MB | noarch/r-chemospec-6.1.11-r43hc72bb7e_0.conda  8 days and 19 hours ago 44 main
conda 3.1 MB | noarch/r-chemospec-6.1.11-r44hc72bb7e_0.conda  8 days and 19 hours ago 37 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_1.conda  8 months and 28 days ago 754 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r44hc72bb7e_1.conda  8 months and 28 days ago 764 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_0.conda  1 year and 2 months ago 961 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r42hc72bb7e_0.conda  1 year and 2 months ago 1004 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_1.conda  1 year and 10 months ago 1248 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r43hc72bb7e_1.conda  1 year and 10 months ago 1236 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r41hc72bb7e_0.conda  1 year and 10 months ago 1215 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_0.conda  1 year and 10 months ago 1237 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r42hc72bb7e_0.conda  1 year and 10 months ago 1249 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r41hc72bb7e_0.conda  1 year and 10 months ago 1274 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r42hc72bb7e_0.tar.bz2  2 years and 6 months ago 1475 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r41hc72bb7e_0.tar.bz2  2 years and 6 months ago 1489 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r41hc72bb7e_1.tar.bz2  2 years and 6 months ago 1475 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r42hc72bb7e_1.tar.bz2  2 years and 6 months ago 1531 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r40hc72bb7e_0.tar.bz2  3 years and 1 month ago 2074 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r41hc72bb7e_0.tar.bz2  3 years and 1 month ago 2035 main
conda 3.0 MB | noarch/r-chemospec-6.1.2-r41hc72bb7e_0.tar.bz2  3 years and 2 months ago 2051 main
conda 3.0 MB | noarch/r-chemospec-6.1.2-r40hc72bb7e_0.tar.bz2  3 years and 2 months ago 2041 main
conda 3.0 MB | noarch/r-chemospec-6.1.0-r41hc72bb7e_0.tar.bz2  3 years and 3 months ago 2060 main
conda 3.0 MB | noarch/r-chemospec-6.1.0-r40hc72bb7e_0.tar.bz2  3 years and 3 months ago 2063 main
conda 3.0 MB | noarch/r-chemospec-6.0.1-r41hc72bb7e_0.tar.bz2  3 years and 6 months ago 2196 main
conda 3.0 MB | noarch/r-chemospec-6.0.1-r40hc72bb7e_0.tar.bz2  3 years and 6 months ago 2178 main
conda 3.0 MB | noarch/r-chemospec-5.3.21-r40hc72bb7e_0.tar.bz2  3 years and 9 months ago 2078 main

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