MsXpS::libXpertMassCore::IsoMatch Struct

struct MsXpS::libXpertMassCore::IsoMatch

The IsoMatch struct describes a match between a theoretical isotopic cluster centroid and a centroid of the input centroided mass spectrum (observed). More...

Header: #include <MsXpS/libXpertMassCore/AbstractLowMassDeconvolver.hpp>

List of all members, including inherited members
IsoMatch is part of libXpertMassCore Data processing.

Public Functions

QString toString() const

Public Variables

double	observedIntensity
double	observedMz
int	observedPeakIndex
int	theoreticalClusterIndex

Detailed Description

This struct is used in support of the code that performs low mass deconvolution of a given input mass spectrum.

When performing matches between calculated isotopic clusters and input mass spectrum clusters, this class documents a successful centroid match (not necessarily of the monoisotopic centroid).

Member Function Documentation

QString IsoMatch::toString() const

Crafts a string documenting this IsoMatch instance and returns it.

Member Variable Documentation

double IsoMatch::observedIntensity

Intensity value of the matching centroid in the input mass data.

double IsoMatch::observedMz

m/z value of the matching centroid in the input mass data.

int IsoMatch::observedPeakIndex

Index of the matching centroid in the input (experimental) isotopic cluster.

int IsoMatch::theoreticalClusterIndex

Index of the matching centroid in the calculated isotopic cluster.

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