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These are the classes that are required to perform mass spectrum-based calculations like centroidations, deconvolutions, analyte identification matching...
This struct describes a calculated isotopic cluster's centroid for a calculated isotopic cluster that was binned so as to remove hyperfine isotopic structure centroids that would be of no use during the matching of centroids with the input mass spectrum centroids | |
This struct holds the data describing an input mass spectrum centroid with a given tested charge | |
Struct provides a cubic spline model of a mass spectrometric data peak | |
This struct holds the data about an analyte's neutral mass and intensity as defined by the deconvolution of one or more isotopic clusters representing different ionization levels of the same analyte | |
This struct holds the metric data about the matches between the calculated isotopic cluster's centroids and those from the input centroided mass spectrum. This struct is mainly for use in the reporting to the user | |
Provides a peak picking feature for data acquired on high resolving power instruments | |
Provides parameters for the HighResPeakPicker peak picking feature | |
Struct describes a match between a theoretical isotopic cluster centroid and a centroid of the input centroided mass spectrum (observed) | |
Struct encapsulates all the parameters needed to configure the low mass deconvolving process | |
Struct encapsulates an input mass spectrum's monoisotopic centroid of a cluster that was succesfully matched to a corresponding calculated cluster |