Description Author(s) See Also
Several tools that convert molecular formulas into useful values for mass spectrometry applications. This includes parsing formulas, calculating monoisotopic masses, and building chemical libraries for targeted mass spectrometry applications. In addition, functions will enumerate chemical isotopes, calculate the isotopic probability distributions, and perform correction for natural isotope abundance.
Maintainer: William Oldham wm.oldham@gmail.com (ORCID)
Useful links:
Report bugs at https://github.com/wmoldham/mzrtools.dev/issues
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