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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 3.0 MB | noarch/r-chemospec-6.3.1-r45hc72bb7e_1.conda  15 days and 15 hours ago 66 main
conda 3.0 MB | noarch/r-chemospec-6.3.1-r44hc72bb7e_1.conda  15 days and 15 hours ago 67 main
conda 3.0 MB | noarch/r-chemospec-6.3.1-r44hc72bb7e_0.conda  28 days and 17 hours ago 97 main
conda 3.0 MB | noarch/r-chemospec-6.3.1-r43hc72bb7e_0.conda  28 days and 17 hours ago 103 main
conda 3.0 MB | noarch/r-chemospec-6.3.0-r43hc72bb7e_0.conda  2 months and 7 days ago 149 main
conda 3.0 MB | noarch/r-chemospec-6.3.0-r44hc72bb7e_0.conda  2 months and 7 days ago 154 main
conda 2.1 MB | noarch/r-chemospec-6.2.0-r43hc72bb7e_0.conda  3 months and 22 days ago 230 main
conda 2.1 MB | noarch/r-chemospec-6.2.0-r44hc72bb7e_0.conda  3 months and 22 days ago 236 main
conda 3.1 MB | noarch/r-chemospec-6.1.11-r43hc72bb7e_0.conda  5 months and 22 days ago 355 main
conda 3.1 MB | noarch/r-chemospec-6.1.11-r44hc72bb7e_0.conda  5 months and 22 days ago 345 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_1.conda  1 year and 2 months ago 1073 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r44hc72bb7e_1.conda  1 year and 2 months ago 1089 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_0.conda  1 year and 8 months ago 1266 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r42hc72bb7e_0.conda  1 year and 8 months ago 1311 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_1.conda  2 years and 3 months ago 1537 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r43hc72bb7e_1.conda  2 years and 3 months ago 1550 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r41hc72bb7e_0.conda  2 years and 4 months ago 1509 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_0.conda  2 years and 4 months ago 1528 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r42hc72bb7e_0.conda  2 years and 4 months ago 1562 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r41hc72bb7e_0.conda  2 years and 4 months ago 1577 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r42hc72bb7e_0.tar.bz2  2 years and 11 months ago 1776 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r41hc72bb7e_0.tar.bz2  2 years and 11 months ago 1790 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r41hc72bb7e_1.tar.bz2  2 years and 11 months ago 1790 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r42hc72bb7e_1.tar.bz2  2 years and 11 months ago 1848 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r40hc72bb7e_0.tar.bz2  3 years and 6 months ago 2404 main

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