/// <summary>
/// Initializes a new instance of the <see cref="ObservedPeak"/> class with peak and its calculated statistics.
/// </summary>
/// <param name="group">
/// The group.
/// </param>
/// <param name="peak">
/// The peak.
/// </param>
/// <param name="statistics">
/// The Statistics.
/// </param>
public ObservedPeak(VoltageGroup group, StandardImsPeak peak, PeakScores statistics)
{
this.VoltageGroup = group;
this.Peak = peak;
this.Statistics = statistics;
this.ObservationType = ObservationType.Peak;
this.mobilityPoint = null;
}
/// <summary>
/// Initializes a new instance of the <see cref="ObservedPeak"/> class that is an virtual observation like source/sink.
/// </summary>
public ObservedPeak()
{
this.ObservationType = ObservationType.Virtual;
this.Peak = null;
this.Statistics = null;
this.VoltageGroup = null;
this.mobilityPoint = null;
}
/// <summary>
/// The cooks distance.
/// </summary>
/// <param name="point">
/// The point.
/// </param>
/// <param name="ssh">
/// The ssh.
/// </param>
/// <param name="meanX">
/// The mean X.
/// </param>
/// <param name="pointsCount">
/// The points count.
/// </param>
/// <returns>
/// The <see cref="double"/>.
/// </returns>
protected double CooksDistance(ContinuousXYPoint point, double ssh, double meanX, int pointsCount, out double leverage)
{
double distance;
double residuel = this.ComputeResidual(point);
double p = 3;
double mse = this.CalculateMSE();
distance = residuel * residuel / p / mse;
// Get the Hii from the hat matrix
double hii = 1.0 / pointsCount + (point.X - meanX) * (point.X - meanX) / ssh;
distance = distance * hii / ((1 - hii) * (1 - hii));
leverage = hii;
return distance;
}
/// <summary>
/// Compute the residual of a fit point.
/// </summary>
/// <param name="point">
/// The point.
/// </param>
/// <returns>
/// The <see cref="double"/>.
/// </returns>
/// <exception cref="ArgumentException">
/// </exception>
protected double ComputeResidual(ContinuousXYPoint point)
{
if (this.state >= FitlineState.ModelComplete)
{
if (this.fitPointCollection.FirstOrDefault(x => point.Equals(point)) != null)
{
return point.Y - this.ModelPredictX2Y(point.X);
}
else
{
throw new ArgumentException("Point given is not inside Fitline point list");
}
}
else
{
throw new Exception("Has to complete model first, cannot diagnose regression");
}
}
public void RemovePoint(ContinuousXYPoint point)
{
this.fitPointCollection.Remove(new FitlinePoint(point));
this.state = FitlineState.Observing;
}
/// <summary>
/// The to continuous xy point.
/// </summary>
/// <returns>
/// The <see cref="ContinuousXYPoint"/>.
/// </returns>
public ContinuousXYPoint ToContinuousXyPoint(bool useAverageTemperature, double globalMeanTemperatureInKelvin)
{
if (this.mobilityPoint == null)
{
// convert drift time to SI unit seconds
double y = this.Peak.PeakApex.DriftTimeCenterInMs;
double temperature = useAverageTemperature ? Metrics.KelvinToNondimensionalized(globalMeanTemperatureInKelvin) : this.VoltageGroup.MeanTemperatureNondimensionalized;
// P/(T*V) value in pascal per (volts * kelvin)
double x = this.VoltageGroup.MeanPressureNondimensionalized /
this.VoltageGroup.MeanVoltageInVolts / temperature;
this.mobilityPoint = new ContinuousXYPoint(x, y);
}
return this.mobilityPoint;
}
