libXpertMassCore and libXpertMassGui Developer Documentation
  • libXpertMassCore
  • ChargeSpecificFeature

    • Contents

    MsXpS::libXpertMassCore::ChargeSpecificFeature Struct

    struct MsXpS::libXpertMassCore::ChargeSpecificFeature

    This struct holds the data describing an input mass spectrum centroid with a given tested charge. More...

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

    Public Functions

    QString toString(bool with_fit_quality = false) const

    Public Variables

    int charge
    MsXpS::libXpertMassCore::FitQuality fitQuality
    QSharedPointer<pappso::Trace> matchingIsotopicClusterQSPtr
    double monoisotopicIntensity
    double monoisotopicMz
    double monoisotopicNeutralMass
    double testedIntensity
    double testedMz
    double testedNeutralMass

    Detailed Description

    When a deconvolution is started, one of the firsts steps is to iterate in the input centroided mass spectrum and for each centroid:

    Member Function Documentation

    QString ChargeSpecificFeature::toString(bool with_fit_quality = false) const

    Craft a string representing this instance and returns it.

    If with_fit_quality is true, the returned string also documents the FitQuality member.

    Member Variable Documentation

    int ChargeSpecificFeature::charge

    This variable holds the charge being tested for the input centroided mass spectrum's centroid.

    MsXpS::libXpertMassCore::FitQuality ChargeSpecificFeature::fitQuality

    FitQuality for this instance.

    QSharedPointer<pappso::Trace> ChargeSpecificFeature::matchingIsotopicClusterQSPtr

    Shared pointer to the pappso::Trace representing the isotopic cluster that could be matched to this instance.

    double ChargeSpecificFeature::monoisotopicIntensity

    This variable holds the intensity value for the monoisotopic centroid.

    double ChargeSpecificFeature::monoisotopicMz

    This variable holds the m/z value for the monoisotopic centroid.

    double ChargeSpecificFeature::monoisotopicNeutralMass

    This variable holds the neutral mass for the monoisotopic centroid.

    double ChargeSpecificFeature::testedIntensity

    This variable holds the original input mass spectrum's centroid's intensity value.

    double ChargeSpecificFeature::testedMz

    This variable holds the original input mass spectrum's centroid's m/z value.

    double ChargeSpecificFeature::testedNeutralMass

    This variable holds the neutral mass calculated assuming the original input mass spectrum's centroid's m/z value was for the charge value in the charge member of this struct.

    Filippo Rusconi