libXpertMassCore and libXpertMassGui Developer Documentation
  • libXpertMassCore
  • SupportingIon

    • Contents

    MsXpS::libXpertMassCore::SupportingIon Struct

    struct MsXpS::libXpertMassCore::SupportingIon

    The SupportingIon struct encapsulates an input mass spectrum's monoisotopic centroid of a cluster that was succesfully matched to a corresponding calculated cluster. More...

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

    Public Functions

    SupportingIon()
    SupportingIon(int charge, double monoisotopic_mz, double intensity, QSharedPointer<pappso::Trace> matching_isotopic_cluster_qsp)
    SupportingIon(const MsXpS::libXpertMassCore::SupportingIon &other)
    QString toString() const
    MsXpS::libXpertMassCore::SupportingIon &operator=(const MsXpS::libXpertMassCore::SupportingIon &other)

    Public Variables

    int charge
    double intensity
    QSharedPointer<pappso::Trace> matchingIsotopicClusterQSPtr
    double monoisotopicMz

    Detailed Description

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

    Member Function Documentation

    SupportingIon::SupportingIon()

    Constructs an empty SupportingIon instance.

    SupportingIon::SupportingIon(int charge, double monoisotopic_mz, double intensity, QSharedPointer<pappso::Trace> matching_isotopic_cluster_qsp)

    Constructs a SupportingIon instance and initializes it with the parameters.

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

    Constructs a SupportingIon instance using other as a template.

    QString SupportingIon::toString() const

    Crafts a string documenting this instance and returns it.

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

    Initializes this SupportingIon instance using other.

    Returns a reference to this instance.

    Member Variable Documentation

    int SupportingIon::charge

    This variable holds the charge of the analyte beneath the isotopic cluster.

    double SupportingIon::intensity

    This variable holds the intensity of the monoisotopic m/z of the analyte beneath the isotopic cluster.

    QSharedPointer<pappso::Trace> SupportingIon::matchingIsotopicClusterQSPtr

    QSharedPointer to the pappso::Trace object representing the calculated isotopic cluster that matched succesfully an isotopic cluster from the input mass spectrum.

    The calculated isotopic cluster's centroids have their intensities normalized to the input mass spectrum's cluster's monoisotopic centroid. This calculated isotopic cluster is used in case a synthetic a mass spectrum recapitulating the match is requested.

    double SupportingIon::monoisotopicMz

    This variable holds the monoisotopic m/z value of the analyte beneath the isotopic cluster.

    Filippo Rusconi