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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 11 days ago 34 main
conda 182.1 kB | osx-64/r-envipat-2.8-r44hdab4d57_0.conda  2 months and 11 days ago 24 main
conda 184.1 kB | win-64/r-envipat-2.8-r44heceb674_0.conda  2 months and 11 days ago 39 main
conda 182.8 kB | osx-64/r-envipat-2.8-r45hdab4d57_0.conda  2 months and 11 days ago 26 main
conda 184.5 kB | linux-64/r-envipat-2.8-r44h54b55ab_0.conda  2 months and 11 days ago 166 main
conda 184.3 kB | linux-64/r-envipat-2.8-r45h54b55ab_0.conda  2 months and 11 days ago 184 main

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