public Ms2ScanWithSpecificMass(MsDataScan mzLibScan, double precursorMonoisotopicPeakMz, int precursorCharge, string fullFilePath, CommonParameters commonParam, IsotopicEnvelope[] neutralExperimentalFragments = null)
{
PrecursorMonoisotopicPeakMz = precursorMonoisotopicPeakMz;
PrecursorCharge = precursorCharge;
PrecursorMass = PrecursorMonoisotopicPeakMz.ToMass(precursorCharge);
FullFilePath = fullFilePath;
ChildScans = new List <Ms2ScanWithSpecificMass>();
NativeId = mzLibScan.NativeId;
TheScan = mzLibScan;
if (commonParam.DissociationType != DissociationType.LowCID)
{
ExperimentalFragments = neutralExperimentalFragments ?? GetNeutralExperimentalFragments(mzLibScan, commonParam);
}
if (ExperimentalFragments != null && ExperimentalFragments.Any())
{
DeconvolutedMonoisotopicMasses = ExperimentalFragments.Select(p => p.MonoisotopicMass).ToArray();
}
else
{
DeconvolutedMonoisotopicMasses = new double[0];
}
}
public Ms2ScanWithSpecificMass(MsDataScan mzLibScan, double precursorMonoisotopicPeakMz, int precursorCharge, string fullFilePath, CommonParameters commonParam, IsotopicEnvelope[] neutralExperimentalFragments = null)
{
PrecursorMonoisotopicPeakMz = precursorMonoisotopicPeakMz;
PrecursorCharge = precursorCharge;
PrecursorMass = PrecursorMonoisotopicPeakMz.ToMass(precursorCharge);
FullFilePath = fullFilePath;
ChildScans = new List <Ms2ScanWithSpecificMass>();
TheScan = mzLibScan;
ExperimentalFragments = neutralExperimentalFragments ?? GetNeutralExperimentalFragments(mzLibScan, commonParam);
if (ExperimentalFragments.Any())
{
DeconvolutedMonoisotopicMasses = ExperimentalFragments.Select(p => p.monoisotopicMass).ToArray();
}
}