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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-staging / r-chemospec
Type Size Name Uploaded Downloads Labels
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_1.conda  8 months and 7 days ago 717 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r44hc72bb7e_1.conda  8 months and 7 days ago 724 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r43hc72bb7e_0.conda  1 year and 2 months ago 924 main
conda 3.0 MB | noarch/r-chemospec-6.1.10-r42hc72bb7e_0.conda  1 year and 2 months ago 964 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_1.conda  1 year and 9 months ago 1200 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r43hc72bb7e_1.conda  1 year and 9 months ago 1195 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r41hc72bb7e_0.conda  1 year and 9 months ago 1174 main
conda 3.0 MB | noarch/r-chemospec-6.1.9-r42hc72bb7e_0.conda  1 year and 9 months ago 1198 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r42hc72bb7e_0.conda  1 year and 9 months ago 1204 main
conda 3.0 MB | noarch/r-chemospec-6.1.8-r41hc72bb7e_0.conda  1 year and 9 months ago 1236 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r42hc72bb7e_0.tar.bz2  2 years and 5 months ago 1435 main
conda 3.1 MB | noarch/r-chemospec-6.1.4-r41hc72bb7e_0.tar.bz2  2 years and 5 months ago 1452 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r41hc72bb7e_1.tar.bz2  2 years and 5 months ago 1436 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r42hc72bb7e_1.tar.bz2  2 years and 5 months ago 1490 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r40hc72bb7e_0.tar.bz2  3 years and 24 days ago 2033 main
conda 3.0 MB | noarch/r-chemospec-6.1.3-r41hc72bb7e_0.tar.bz2  3 years and 24 days ago 1994 main
conda 3.0 MB | noarch/r-chemospec-6.1.2-r41hc72bb7e_0.tar.bz2  3 years and 1 month ago 2015 main
conda 3.0 MB | noarch/r-chemospec-6.1.2-r40hc72bb7e_0.tar.bz2  3 years and 1 month ago 2002 main
conda 3.0 MB | noarch/r-chemospec-6.1.0-r41hc72bb7e_0.tar.bz2  3 years and 2 months ago 2021 main
conda 3.0 MB | noarch/r-chemospec-6.1.0-r40hc72bb7e_0.tar.bz2  3 years and 2 months ago 2024 main
conda 3.0 MB | noarch/r-chemospec-6.0.1-r41hc72bb7e_0.tar.bz2  3 years and 5 months ago 2154 main
conda 3.0 MB | noarch/r-chemospec-6.0.1-r40hc72bb7e_0.tar.bz2  3 years and 5 months ago 2138 main
conda 3.0 MB | noarch/r-chemospec-5.3.21-r40hc72bb7e_0.tar.bz2  3 years and 8 months ago 2038 main
conda 3.0 MB | noarch/r-chemospec-5.3.21-r41hc72bb7e_0.tar.bz2  3 years and 8 months ago 2033 main
conda 3.0 MB | noarch/r-chemospec-5.3.11-r41hc72bb7e_0.tar.bz2  3 years and 10 months ago 2147 main
conda 3.0 MB | noarch/r-chemospec-5.3.11-r40hc72bb7e_0.tar.bz2  4 years and 8 days ago 2257 main
conda 3.0 MB | noarch/r-chemospec-5.3.11-r36hc72bb7e_0.tar.bz2  4 years and 8 days ago 2280 main
conda 3.0 MB | noarch/r-chemospec-5.3.2-r36h6115d3f_0.tar.bz2  4 years and 7 months ago 2637 main
conda 3.0 MB | noarch/r-chemospec-5.3.2-r40h6115d3f_0.tar.bz2  4 years and 7 months ago 2638 main
conda 2.6 MB | noarch/r-chemospec-5.2.12-r36h6115d3f_1.tar.bz2  4 years and 10 months ago 2991 main
conda 2.6 MB | noarch/r-chemospec-5.2.12-r40h6115d3f_1.tar.bz2  4 years and 10 months ago 3009 main
conda 2.6 MB | noarch/r-chemospec-5.2.12-r35h6115d3f_0.tar.bz2  5 years and 2 months ago 3284 main cf202003
conda 2.6 MB | noarch/r-chemospec-5.2.12-r36h6115d3f_0.tar.bz2  5 years and 2 months ago 3208 main cf202003
conda 2.8 MB | noarch/r-chemospec-5.1.48-r35h6115d3f_0.tar.bz2  5 years and 6 months ago 3747 main cf202003
conda 2.9 MB | noarch/r-chemospec-5.1.48-r36h6115d3f_0.tar.bz2  5 years and 6 months ago 3927 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.1.9-r35h6115d3f_1.tar.bz2  5 years and 8 months ago 3900 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.1.9-r36h6115d3f_1.tar.bz2  5 years and 8 months ago 3902 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.1.9-r35h6115d3f_0.tar.bz2  5 years and 9 months ago 4024 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.0.229-r351h6115d3f_0.tar.bz2  6 years and 30 days ago 4250 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.0.225-r351h6115d3f_0.tar.bz2  6 years and 1 month ago 4290 main cf202003
conda 2.7 MB | noarch/r-chemospec-5.0.88-r351h6115d3f_1000.tar.bz2  6 years and 4 months ago 4475 main cf202003 gcc7 cf201901
conda 2.7 MB | win-64/r-chemospec-5.0.88-r351h6115d3f_0.tar.bz2  6 years and 5 months ago 1697 main cf202003 cf201901
conda 2.7 MB | win-64/r-chemospec-5.0.88-r341h6115d3f_0.tar.bz2  6 years and 5 months ago 1712 main cf202003 cf201901
conda 2.7 MB | osx-64/r-chemospec-5.0.88-r341h6115d3f_0.tar.bz2  6 years and 5 months ago 356 main cf202003 cf201901
conda 2.7 MB | osx-64/r-chemospec-5.0.88-r351h6115d3f_0.tar.bz2  6 years and 5 months ago 349 main cf202003 cf201901
conda 2.7 MB | linux-64/r-chemospec-5.0.88-r351h6115d3f_0.tar.bz2  6 years and 5 months ago 4706 main cf202003 cf201901
conda 2.7 MB | linux-64/r-chemospec-5.0.88-r341h6115d3f_0.tar.bz2  6 years and 5 months ago 4781 main cf202003 cf201901
conda 2.7 MB | win-64/r-chemospec-4.4.97-r3.3.2_0.tar.bz2  7 years and 23 days ago 1825 main cf202003 cf201901
conda 2.8 MB | win-64/r-chemospec-4.4.97-r3.4.1_0.tar.bz2  7 years and 23 days ago 1859 main cf202003 cf201901
conda 2.7 MB | osx-64/r-chemospec-4.4.97-r3.4.1_0.tar.bz2  7 years and 23 days ago 382 main cf202003 cf201901

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