gcmstools

Isotopic Distribution Analysis

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Isotopic Distribution Analysis

When running reactions with isotopically labeled substrates, it may be important to determine the distribution of the isotope labels in the resulting product. The gcmstools.isotope module defines an Isotope class that is meant to assist in this analysis. In short, this class helps you to build a matrix of reference spectra which is used in a least squares fit with the observed mass distribution.

TODO

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