libXpertMassCore and libXpertMassGui Developer Documentation
  • libXpertMassCore
  • DeconvolutedFeature
  • MsXpS::libXpertMassCore::DeconvolutedFeature Struct

    struct MsXpS::libXpertMassCore::DeconvolutedFeature

    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. More...

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

    Public Functions

    DeconvolutedFeature()
    DeconvolutedFeature(const MsXpS::libXpertMassCore::DeconvolutedFeature &other)
    QString toString(bool with_supporting_ions = true) const
    MsXpS::libXpertMassCore::DeconvolutedFeature &operator=(const MsXpS::libXpertMassCore::DeconvolutedFeature &other)

    Public Variables

    MsXpS::libXpertMassCore::FitQuality fitQuality
    double intensity
    double neutralMass
    std::vector<MsXpS::libXpertMassCore::SupportingIon> supportingIons

    Detailed Description

    Member Function Documentation

    DeconvolutedFeature::DeconvolutedFeature()

    Constructs an empty DeconvolutedFeature instance.

    DeconvolutedFeature::DeconvolutedFeature(const MsXpS::libXpertMassCore::DeconvolutedFeature &other)

    Constructs a DeconvolutedFeature instance using other as a template.

    QString DeconvolutedFeature::toString(bool with_supporting_ions = true) const

    Crafts a string representing this instance and returns it. If with_supporting_ions is true, the string also reports the supporting ions contained in this instance.

    MsXpS::libXpertMassCore::DeconvolutedFeature &DeconvolutedFeature::operator=(const MsXpS::libXpertMassCore::DeconvolutedFeature &other)

    Initialized this instance using other as a template.

    Member Variable Documentation

    MsXpS::libXpertMassCore::FitQuality DeconvolutedFeature::fitQuality

    FitQuality computed for this deconvoluted feature.

    double DeconvolutedFeature::intensity

    This intensity value is a combination of the different intensity values of the different ions of differing charges (if any) that were found to correspond to the neutral mass of the analyte characterized by this deconvoluted feature.

    double DeconvolutedFeature::neutralMass

    Neutral mass of the feature.

    std::vector<MsXpS::libXpertMassCore::SupportingIon> DeconvolutedFeature::supportingIons

    Set of SupportingIon instances that were determined as contributing to the deconvolution of this feature.