| <large>libXpertMassCore and libXpertMassGui Developer Documentation</large>

# libXpertMassCore Data processing

These are the classes that are required to perform mass spectrum-based calculations like centroidations, deconvolutions, analyte identification matching...

MsXpS::libXpertMassCore::Processing | Contains the libXpertMassCore math-related features
MsXpS::libXpertMassCore::Processing::AbstractLowMassDeconvolver | Manages the deconvolution of low mass analytes mass spectra
MsXpS::libXpertMassCore::Processing::BinnedIsotopicCentroid | 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's centroids
MsXpS::libXpertMassCore::Processing::ChargeSpecificFeature | This struct holds the data describing an input mass spectrum's centroid with a given tested charge
MsXpS::libXpertMassCore::Processing::CubicSplineModel | Struct provides a cubic spline model of a mass spectrometric data peak
MsXpS::libXpertMassCore::Processing::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
MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcher | The mechanics that performs matches between analyte IDs and chemical formulas provided in a dictionary file
MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcher::Data | Struct provides all the required data elements for the matcher to perform its tasks. Also, these elements are made available back to the matcher user so as to continue the processing even after the thread has returned
MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcher::MassIdMatch | Struct stores all the details about a successful Id match
MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters | Structure holds all the parameters required to configure a DeconvolutedMassIdMatcher instance
MsXpS::libXpertMassCore::Processing::FitQuality | 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
MsXpS::libXpertMassCore::Processing::HighResPeakPicker | Provides a peak picking feature for data acquired on high resolving power instruments
MsXpS::libXpertMassCore::Processing::HighResPeakPicker::PeakRange | Provides start and end points for peaks
MsXpS::libXpertMassCore::Processing::HighResPeakPickerParameters | Provides parameters for the HighResPeakPicker peak picking feature
MsXpS::libXpertMassCore::Processing::IsoMatch | Struct describes a match between a theoretical isotopic cluster centroid and a centroid of the input centroided mass spectrum (observed)
MsXpS::libXpertMassCore::Processing::LocalSignalToNoiseEstimator | Encapsulates all the features required to compute a signal-to-noise ratio value for each point in a trace
MsXpS::libXpertMassCore::Processing::LocalSignalToNoiseEstimator::GaussianEstimateParams | Struct encapsulates the characteristics of the Gaussian as returned by LocalSignalToNoiseEstimator::estimateGaussian
MsXpS::libXpertMassCore::Processing::LocalSignalToNoiseEstimator::Parameters | Struct encapsulates all the parameters required to configure a LocalSignalToNoiseEstimator
MsXpS::libXpertMassCore::Processing::LowMassDeconvolverFullLabelling | Manages the deconvolution of low mass analytes mass spectra
MsXpS::libXpertMassCore::Processing::LowMassDeconvolverNoLabelling | Manages the deconvolution of low mass analytes mass spectra
MsXpS::libXpertMassCore::Processing::LowMassDeconvolverParameters | Struct encapsulates all the parameters needed to configure the low mass deconvolving process
MsXpS::libXpertMassCore::Processing::SupportingIon | Struct encapsulates an input mass spectrum's monoisotopic centroid of a cluster that was succesfully matched to a corresponding calculated cluster
MsXpS::libXpertMassCore::Processing::LocalSignalToNoiseEstimator::IntensityThresholdCalculation