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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 184.2 kB | win-64/r-envipat-2.8-r45heceb674_0.conda  2 months and 15 days ago 34 main
conda 182.1 kB | osx-64/r-envipat-2.8-r44hdab4d57_0.conda  2 months and 15 days ago 24 main
conda 184.1 kB | win-64/r-envipat-2.8-r44heceb674_0.conda  2 months and 15 days ago 39 main
conda 182.8 kB | osx-64/r-envipat-2.8-r45hdab4d57_0.conda  2 months and 15 days ago 26 main
conda 184.5 kB | linux-64/r-envipat-2.8-r44h54b55ab_0.conda  2 months and 15 days ago 179 main
conda 184.3 kB | linux-64/r-envipat-2.8-r45h54b55ab_0.conda  2 months and 15 days ago 200 main
conda 182.2 kB | win-64/r-envipat-2.6-r45heceb674_3.conda  6 months and 28 days ago 75 main
conda 180.1 kB | osx-64/r-envipat-2.6-r44h735ac91_3.conda  6 months and 28 days ago 65 main
conda 180.2 kB | osx-64/r-envipat-2.6-r45h735ac91_3.conda  6 months and 28 days ago 67 main
conda 182.2 kB | win-64/r-envipat-2.6-r44heceb674_3.conda  6 months and 28 days ago 78 main
conda 182.5 kB | linux-64/r-envipat-2.6-r45h54b55ab_3.conda  6 months and 28 days ago 483 main
conda 182.2 kB | linux-64/r-envipat-2.6-r44h54b55ab_3.conda  6 months and 28 days ago 503 main
conda 178.8 kB | win-64/r-envipat-2.6-r43h11b023d_2.conda  1 year and 9 months ago 303 main
conda 180.7 kB | win-64/r-envipat-2.6-r44h11b023d_2.conda  1 year and 9 months ago 301 main
conda 179.5 kB | osx-64/r-envipat-2.6-r44h6b9d099_2.conda  1 year and 9 months ago 273 main
conda 178.6 kB | osx-64/r-envipat-2.6-r43h6b9d099_2.conda  1 year and 9 months ago 258 main
conda 180.9 kB | linux-64/r-envipat-2.6-r44hdb488b9_2.conda  1 year and 9 months ago 1857 main
conda 178.3 kB | linux-64/r-envipat-2.6-r43hdb488b9_2.conda  1 year and 9 months ago 1871 main
conda 182.2 kB | win-64/r-envipat-2.6-r41h6d2157b_1.conda  2 years and 9 months ago 493 main
conda 178.8 kB | osx-64/r-envipat-2.6-r42h6dc245f_1.conda  2 years and 9 months ago 250 main
conda 178.4 kB | osx-64/r-envipat-2.6-r43h6dc245f_1.conda  2 years and 9 months ago 266 main
conda 179.3 kB | linux-64/r-envipat-2.6-r42h57805ef_1.conda  2 years and 9 months ago 2292 main
conda 178.8 kB | linux-64/r-envipat-2.6-r43h57805ef_1.conda  2 years and 9 months ago 2333 main
conda 193.6 kB | win-64/r-envipat-2.6-r41h6d2157b_0.tar.bz2  3 years and 5 months ago 558 main
conda 192.6 kB | osx-64/r-envipat-2.6-r42h815d134_0.tar.bz2  3 years and 5 months ago 183 main

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