private void WriteToOutFiles(MassSpectrum spec)
{
// MS1 file;
if (_ms1Writer != null && spec.MsLevel == 1)
{
if (_isFirstMS1Scan)
{
TextFileWriter.WriteMSnHeader(_ms1Writer, "MS1", LastScanNum, spec);
_isFirstMS1Scan = false;
}
TextFileWriter.WriteToMS1(_ms1Writer, spec, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution);
}
// MS2 file;
if (_ms2Writer != null && spec.MsLevel == 2)
{
if (_isFirstMS2Scan)
{
TextFileWriter.WriteMSnHeader(_ms2Writer, "MS2", LastScanNum, spec);
_isFirstMS2Scan = false;
}
//TextFileWriter.WriteToMSn(_ms2Writer, spec, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution,_verifyWriter);
if (expType == ExperimentType.DIA && predictPrecursors)
{
TextFileWriter.WriteToMSnWithDuplicates(_ms2Writer, spec, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution);
}
else
{
TextFileWriter.WriteToMSn(_ms2Writer, spec, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution);
}
}
// MS3 file;
if (_ms3Writer != null && spec.MsLevel == 3)
{
if (_isFirstMS3Scan)
{
TextFileWriter.WriteMSnHeader(_ms3Writer, "MS3", LastScanNum, spec);
_isFirstMS3Scan = false;
}
TextFileWriter.WriteToMSn(_ms3Writer, spec, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution);
}
// MGF file;
if (_mgfWriter != null && spec.MsLevel == 2)
{
TextFileWriter.WriteToMGF(_mgfWriter, spec, rawFileName, mzDecimalPlace, intensityDecimalPlace, showPeakChargeState, showPeakResolution);
}
// mzXML file;
if (_mzXMLWriter != null)
{
_mzXMLWriter.WriteScan(spec);
}
}
private void WriteToOutFiles(MassSpectrum spec, bool isFirstScan)
{
// MS1 file;
if (_ms1Writer != null && spec.MsLevel == 1)
{
if (_isFirstMS1Scan)
{
TextFileWriter.WriteMSnHeader(_ms1Writer, "MS1", _scanCount, spec);
_isFirstMS1Scan = false;
}
TextFileWriter.WriteToMS1(_ms1Writer, spec, _mzDecimalPlace, _intensityDecimalPlace, false, false);
}
// MS2 file;
if (_ms2Writer != null && spec.MsLevel == 2)
{
if (_isFirstMS2Scan)
{
TextFileWriter.WriteMSnHeader(_ms2Writer, "MS2", _scanCount, spec);
_isFirstMS2Scan = false;
}
TextFileWriter.WriteToMSn(_ms2Writer, spec, _mzDecimalPlace, _intensityDecimalPlace, false, false);
}
// MS3 file;
if (_ms3Writer != null && spec.MsLevel == 3)
{
if (_isFirstMS3Scan)
{
TextFileWriter.WriteMSnHeader(_ms3Writer, "MS3", _scanCount, spec);
_isFirstMS3Scan = false;
}
TextFileWriter.WriteToMSn(_ms3Writer, spec, _mzDecimalPlace, _intensityDecimalPlace, false, false);
}
// MGF file;
if (_mgfWriter != null && spec.MsLevel == 2)
{
TextFileWriter.WriteToMGF(_mgfWriter, spec, _mzxmlFileName, _mzDecimalPlace, _intensityDecimalPlace, false, false);
}
}