This module attempts to calculate all possible molecular formulas for a peak,
using given elemental and heuristic constraints. For a detailed description of the
functionality and the embedded algorithms, please see the following publication:
Pluskal T. et al, Highly Accurate Chemical Formula Prediction Tool Utilizing High-Resolution Mass
Spectra, MS/MS Fragmentation, Heuristic Rules, and Isotope Pattern Matching.
Anal Chem (2012), 84(10):4396-403.
The module is invoked by selecting a single peak within a peak list:
List of formula candidates: