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Unverified Commit 2057c19c authored by Todor Kondic's avatar Todor Kondic
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resources,mix: add get_mz_from_formula 

* resources.R(ADDUCTS,ISOTOPES): New parameters. Reimports of enviPat
  data.

* mix.R(calc_mz_from_smiles): New function. Inspired by one of the
RChemMass functions.
parent e0ef1f29
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