Figure 2From: GNU polyxmass: a software framework for mass spectrometric simulations of linear (bio-)polymeric analytesAtom definitions in the polyxdef module. The definition of atoms is straightforward: after creation of a new atom "envelope", the user fills-in the isotopic pairs (isotopic mass and relative abundance) required to fully characterize a chemical element. Each time a new isotope is added, the average mass of the chemical element gets recomputed.Back to article page