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Isotope labels for get.isotope.pattern

Open gjgfml opened this issue 11 months ago • 1 comments

Hi, I'm using the rCDK package and I'm getting the isotope pattern for a given molecular formula, but they have no labels as to what combination of isotopes each line belongs to. Is there a way to get labels generated along side each isotopologue, their mass and respective abundance.

Hope you can help G

gjgfml avatar Mar 05 '24 12:03 gjgfml