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(); } }