Package peakml.chemistry

Class Summary

MolecularFormula	Implementation of a container keeping track of the atom counts for a molecular formula.
MolecularFormula.SubFormula
Molecule	Implementation of a class tracking all the properties of a molecule.
MoleculeDB
PeriodicTable	This class stores the periodic table of elements with precise masses.
PeriodicTable.Derivative	http://mass-spec.stanford.edu/assets/SUMS_common_ESI_ions.pdf http://fiehnlab.ucdavis.edu/staff/kind/Metabolomics/MS-Adduct-Calculator/
PeriodicTable.Element	Central class describing all the properties of an element.
PeriodicTable.Isotope	Central class describing all the properties of an isotope.
PeriodicTable.NaturalIsotope
Protein

Enum Summary

Mass	In chemistry two methods for calculating the mass of a molecule are used.
Polarity	The polarity setting of the instrument used when collecting the data.
Protein.Type