public void addStep(fitDataStrt fitDataStep, double sumSQStep, TimeSpan time, int sign) { string Item; stepsCount++; fitData[stepsCount] = fitDataStep; if (sign < 0) { Item = "-"; } else { Item = ""; } Item += stepsCount.ToString() + " : "; Item += " time: " + time.Milliseconds; Item += " SumSQ: " + sumSQStep.ToString(); Item += " A: " + fitDataStep.A.ToString(); Item += " B: " + fitDataStep.B.ToString(); Item += " eff: " + fitDataStep.f.ToString(); Item += " sigma: " + fitDataStep.sigma.ToString(); Item += " SigNoise: " + fitDataStep.signoise.ToString(); Item += " deltaMZ: " + fitDataStep.deltaMz.ToString(); Item += " alpha: " + fitDataStep.alpha.ToString(); this.lBoxSteps.Items.Add(Item); }
public void addStep(fitDataStrt fitDataStep, double sumSQStep) { string Item; stepsCount++; fitData[stepsCount] = fitDataStep; Item = stepsCount.ToString() + " : "; Item += " SumSQ: " + sumSQStep.ToString(); Item += " A: " + fitDataStep.A.ToString(); Item += " B: " + fitDataStep.B.ToString(); Item += " eff: " + fitDataStep.f.ToString(); Item += " sigma: " + fitDataStep.sigma.ToString(); Item += " SigNoise: " + fitDataStep.signoise.ToString(); Item += " deltaMZ: " + fitDataStep.deltaMz.ToString(); Item += " alpha: " + fitDataStep.alpha.ToString(); this.lBoxSteps.Items.Add(Item); }
public void NewtonGaussFit(Comb.mzI[] experimentalData, Comb.mzI[] intensities, int charge, double deltaR, fitDataStrt initialParams) { //Clone the data to the class expData = (Comb.mzI[])experimentalData.Clone(); iCharge = charge; dDeltaR = deltaR; intensPeaks = (Comb.mzI[])intensities.Clone(); //Assign parameters HAY QUE CAMBIAR ESTO PARA QUE SEA AJUSTABLE DESDE FUERA alpha = 0.01; PRS = 1e-8; RSH = 1e-4; //assign initial parameters to the parameters' matrix mB[1] = initialParams.A; //Amount of A mB[2] = initialParams.alpha; //leptokurtosis mB[3] = initialParams.B; //Amount of B mB[4] = initialParams.deltaMz; //experimental mass/charge deviation mB[5] = initialParams.f; //efficiency mB[6] = initialParams.sigma; //Gaussian width mB[7] = initialParams.signoise; //signal/noise relation nIterations = 0; //assign initial parameters as new parameters for (int i = 1; i <= mB.GetUpperBound(0); i++) { mA[i] = mB[i]; } //Calculate the initial fit fitData = Gaussians.calEnvelope(intensities, expData, initialParams, charge, deltaR); //first chi^2 test. sumSQ1 = sumSquares(expData, fitData); //control form of the iterations if (controlFit.IsDisposed) { controlFit = null; controlFit = new OPctrFit(); } controlFit.Show(); controlFit.Activate(); //controlFit.Owner = this; controlFit.iterAdd(nIterations, initialParams, sumSQ1, false); }