public static IEnumerable <IMSMSFeature> SplitByIMSScan(IEnumerable <IMSMSFeature> imsmsFeatureEnumerable, int maxGap)
{
var newIMSMSFeatureList = new List <IMSMSFeature>();
foreach (var imsmsFeature in imsmsFeatureEnumerable)
{
IEnumerable <MSFeature> msFeatureList = imsmsFeature.MSFeatureList.OrderBy(x => x.ScanIMS);
IMSMSFeature newIMSMSFeature = null;
var scanIMSReference = -99999;
foreach (var msFeature in msFeatureList)
{
if (msFeature.ScanIMS - scanIMSReference > maxGap)
{
newIMSMSFeature = new IMSMSFeature(imsmsFeature.ScanLC, imsmsFeature.Charge);
newIMSMSFeature.AddMSFeature(msFeature);
newIMSMSFeatureList.Add(newIMSMSFeature);
}
else
{
newIMSMSFeature?.AddMSFeature(msFeature);
}
scanIMSReference = msFeature.ScanIMS;
}
}
return(newIMSMSFeatureList);
}
public static IEnumerable <IMSMSFeature> ClusterByMass(IEnumerable <MSFeature> msFeatureEnumerable)
{
var imsmsFeatureList = new List <IMSMSFeature>();
var massToleranceBase = Settings.MassMonoisotopicConstraint;
var sortByMassQuery = from msFeature in msFeatureEnumerable
orderby msFeature.MassMonoisotopic
select msFeature;
IMSMSFeature imsmsFeature = null;
var massReference = double.MinValue;
foreach (var msFeature in sortByMassQuery)
{
var mass = msFeature.MassMonoisotopic;
var massTolerance = massToleranceBase * massReference / 1000000;
var massToleranceHigh = massReference + massTolerance;
var massToleranceLow = massReference - massTolerance;
if (mass >= massToleranceLow && mass <= massToleranceHigh && imsmsFeature != null)
{
imsmsFeature.AddMSFeature(msFeature);
}
else
{
imsmsFeature = new IMSMSFeature(msFeature.ScanLC, msFeature.Charge);
imsmsFeature.AddMSFeature(msFeature);
imsmsFeatureList.Add(imsmsFeature);
}
massReference = mass;
}
return(imsmsFeatureList);
}