C# Class ImsInformed.Domain.DataAssociation.IsomerTrack

The isomer trace.
Show file Open project: PNNL-Comp-Mass-Spec/IMS-Informed-Library Class Usage Examples

Public Methods

Method Description
AddIonTransition ( IonTransition transition ) : void
AddObservation ( ObservedPeak peak ) : void

The add observation.
ExportIdentifiedIsomerInfo ( double viperCompatibleMass, int minFitPoints, double minR2, IImsTarget target, double bestMzInPpm ) : IdentifiedIsomerInfo

The export identified isomer info.
GetDriftTimeErrorInSecondsForObsevation ( ObservedPeak peak ) : double

The get drift time error in seconds for obsevation.
GetMobilityInfoForTarget ( IImsTarget inferedTarget ) : MobilityInfo

Gets the mobility info for inferedTarget
IsomerTrack ( IEnumerable peaks, double driftTubeLengthInMeters, int numberOfVoltageGroups, FitLine fitline, bool useAverageTemperature ) : System

Initializes a new instance of the IsomerTrack class.
IsomerTrack ( double driftTubeLengthInMeters, int numberOfVoltageGroups, FitLine fitline, bool useAverageTemperature ) : System

Initializes a new instance of the IsomerTrack class.

Private Methods

Method Description
ComputeLinearFitLine ( FitLine fitline ) : void

The compute linear fit FitLine.
ComputeMobilityInfo ( IImsTarget target ) : MobilityInfo

The compute mobility info.
ConcludeStatus ( int minFitPoints, double minR2 ) : AnalysisStatus

The conclude status.
ExtractArrivalTimeSnapShot ( ObservedPeak peak ) : ArrivalTimeSnapShot

The extract arrival time snap shot.
GetGlobalMeanTemperature ( ) : double

The compute global mean temperature.
ToContinuousXyPoints ( ) : IEnumerable

The to continuous XY point.

Method Details

AddIonTransition() public method

public AddIonTransition ( IonTransition transition ) : void
transition IonTransition
return void

AddObservation() public method

The add observation.
public AddObservation ( ObservedPeak peak ) : void
peak ImsInformed.Domain.DirectInjection.ObservedPeak /// The peak. ///
return void

ExportIdentifiedIsomerInfo() public method

The export identified isomer info.
public ExportIdentifiedIsomerInfo ( double viperCompatibleMass, int minFitPoints, double minR2, IImsTarget target, double bestMzInPpm ) : IdentifiedIsomerInfo
viperCompatibleMass double /// The viper compatible mass. ///
minFitPoints int /// The min fit points. ///
minR2 double /// The min r 2. ///
target IImsTarget
bestMzInPpm double
return ImsInformed.Workflows.CrossSectionExtraction.IdentifiedIsomerInfo

GetDriftTimeErrorInSecondsForObsevation() public method

The get drift time error in seconds for obsevation.
public GetDriftTimeErrorInSecondsForObsevation ( ObservedPeak peak ) : double
peak ImsInformed.Domain.DirectInjection.ObservedPeak /// The peak. ///
return double

GetMobilityInfoForTarget() public method

Gets the mobility info for inferedTarget
public GetMobilityInfoForTarget ( IImsTarget inferedTarget ) : MobilityInfo
inferedTarget IImsTarget /// The inferedTarget. ///
return MobilityInfo

IsomerTrack() public method

Initializes a new instance of the IsomerTrack class.
public IsomerTrack ( IEnumerable peaks, double driftTubeLengthInMeters, int numberOfVoltageGroups, FitLine fitline, bool useAverageTemperature ) : System
peaks IEnumerable /// The peaks. ///
driftTubeLengthInMeters double /// The drift tube length in meters. ///
numberOfVoltageGroups int
fitline ImsInformed.Statistics.FitLine
useAverageTemperature bool
return System

IsomerTrack() public method

Initializes a new instance of the IsomerTrack class.
public IsomerTrack ( double driftTubeLengthInMeters, int numberOfVoltageGroups, FitLine fitline, bool useAverageTemperature ) : System
driftTubeLengthInMeters double /// The drift Tube Length In Meters. ///
numberOfVoltageGroups int
fitline ImsInformed.Statistics.FitLine
useAverageTemperature bool
return System