Classes ======= The following classes are defined in the modifinder package: * Compound: Represents a compound, contains the spectrum, structure, annotation of the peaks, ... * Spectrum: Represents a spectrum, contains the mz values, intensities, adduct, precursor_mz, ... * EdgeDetail: Represents an alignment, contains the alignment score, matched peaks and the type of the match * ModiFinder: The main class of the package, using the known analogs, tries to provide structural information about the unknown compound. .. currentmodule:: modifinder .. toctree:: :maxdepth: 1 classes.Spectrum classes.Compound classes.EdgeDetail classes.ModiFinder classes.StructureMeta