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Fast and very memory-efficient calculation of isotope patterns, subsequent convolution to theoretical envelopes (profiles) plus valley detection and centroidization or intensoid calculation. Batch processing, resolution interpolation, wrapper, adduct calculations and molecular formula parsing. Loos, M., Gerber, C., Corona, F., Hollender, J., Singer, H. (2015) <doi:10.1021/acs.analchem.5b00941>.

copied from cf-post-staging / r-envipat
Type Size Name Uploaded Downloads Labels
conda 194.3 kB | win-64/r-envipat-2.4-r41h6d2157b_2.tar.bz2  3 years and 6 months ago 569 main
conda 193.2 kB | osx-64/r-envipat-2.4-r42h815d134_2.tar.bz2  3 years and 6 months ago 88 main
conda 193.1 kB | osx-64/r-envipat-2.4-r41h815d134_2.tar.bz2  3 years and 6 months ago 89 main
conda 190.5 kB | linux-64/r-envipat-2.4-r42h06615bd_2.tar.bz2  3 years and 6 months ago 2568 main
conda 190.3 kB | linux-64/r-envipat-2.4-r41h06615bd_2.tar.bz2  3 years and 6 months ago 2576 main
conda 203.6 kB | win-64/r-envipat-2.4-r40h6d2157b_1.tar.bz2  4 years and 10 months ago 811 main
conda 193.0 kB | win-64/r-envipat-2.4-r41h6d2157b_1.tar.bz2  4 years and 10 months ago 815 main
conda 189.6 kB | osx-64/r-envipat-2.4-r40h28b5c78_1.tar.bz2  4 years and 10 months ago 156 main
conda 189.6 kB | osx-64/r-envipat-2.4-r41h28b5c78_1.tar.bz2  4 years and 10 months ago 202 main
conda 189.4 kB | linux-64/r-envipat-2.4-r41hcfec24a_1.tar.bz2  4 years and 10 months ago 3269 main
conda 189.5 kB | linux-64/r-envipat-2.4-r40hcfec24a_1.tar.bz2  4 years and 10 months ago 3293 main
conda 203.4 kB | win-64/r-envipat-2.4-r40hda5aaf8_1.tar.bz2  5 years and 10 months ago 1031 main
conda 203.8 kB | win-64/r-envipat-2.4-r36hda5aaf8_1.tar.bz2  5 years and 10 months ago 1070 main
conda 189.2 kB | osx-64/r-envipat-2.4-r36h17f1fa6_1.tar.bz2  5 years and 10 months ago 338 main
conda 188.5 kB | osx-64/r-envipat-2.4-r40h17f1fa6_1.tar.bz2  5 years and 10 months ago 338 main
conda 189.2 kB | linux-64/r-envipat-2.4-r36hcdcec82_1.tar.bz2  5 years and 10 months ago 3907 main
conda 188.3 kB | linux-64/r-envipat-2.4-r40hcdcec82_1.tar.bz2  5 years and 10 months ago 3887 main
conda 203.8 kB | win-64/r-envipat-2.4-r36hda5aaf8_0.tar.bz2  5 years and 10 months ago 1051 main
conda 202.3 kB | win-64/r-envipat-2.4-r35hda5aaf8_0.tar.bz2  5 years and 10 months ago 1047 main
conda 189.1 kB | osx-64/r-envipat-2.4-r36h17f1fa6_0.tar.bz2  5 years and 10 months ago 331 main
conda 188.1 kB | osx-64/r-envipat-2.4-r35h17f1fa6_0.tar.bz2  5 years and 10 months ago 326 main
conda 189.2 kB | linux-64/r-envipat-2.4-r36hcdcec82_0.tar.bz2  5 years and 10 months ago 3868 main
conda 188.0 kB | linux-64/r-envipat-2.4-r35hcdcec82_0.tar.bz2  5 years and 10 months ago 3886 main

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