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);
}