public override void ValidateResult(DeconTools.Backend.Core.ResultCollection resultColl, DeconTools.Backend.Core.IsosResult currentResult)
{
if (currentResult.IsotopicProfile == null)
{
return;
}
Check.Require(currentResult != null, String.Format("{0} failed. CurrentResult has not been defined.", this.Name));
if (resultColl.Run.PeakList == null || resultColl.Run.PeakList.Count == 0)
{
currentResult.InterferenceScore = -1;
return;
}
var monoPeak = currentResult.IsotopicProfile.getMonoPeak();
var lastPeak = currentResult.IsotopicProfile.Peaklist[currentResult.IsotopicProfile.Peaklist.Count - 1];
var leftMZBoundary = monoPeak.XValue - 1.1;
var rightMZBoundary = lastPeak.XValue + lastPeak.Width / 2.35 * 2; // 2 sigma
double interferenceVal = -1;
if (UsePeakBasedInterferenceValue)
{
var scanPeaks = resultColl.Run.PeakList.Select <Peak, MSPeak>(i => (MSPeak)i).ToList();
interferenceVal = m_scorer.GetInterferenceScore(scanPeaks, currentResult.IsotopicProfile.Peaklist, leftMZBoundary, rightMZBoundary);
}
else
{
var startIndexOfXYData = MathUtils.BinarySearchWithTolerance(resultColl.Run.XYData.Xvalues, monoPeak.XValue - 3, 0, (resultColl.Run.XYData.Xvalues.Length - 1), 2);
if (startIndexOfXYData < 0)
{
startIndexOfXYData = 0;
}
interferenceVal = m_scorer.GetInterferenceScore(resultColl.Run.XYData, currentResult.IsotopicProfile.Peaklist, leftMZBoundary, rightMZBoundary, startIndexOfXYData);
}
currentResult.InterferenceScore = interferenceVal;
}
private double getIScore(List <MSPeak> peakList, IsotopicProfile iso)
{
var monoPeak = iso.getMonoPeak();
var lastPeak = iso.Peaklist[iso.Peaklist.Count - 1];
var leftMZBoundary = monoPeak.XValue - 1.1;
var rightMZBoundary = lastPeak.XValue + lastPeak.Width / 2.35 * 2; // 2 sigma
var interferenceVal = iScorer.GetInterferenceScore(peakList, iso.Peaklist, leftMZBoundary, rightMZBoundary);
return(interferenceVal);
}
