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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-staging / r-envipat

Installers

  • linux-64 v2.6
  • osx-64 v2.6
  • win-64 v2.6

conda install

To install this package run one of the following:
conda install conda-forge::r-envipat

Description


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