private void InitMzXMLFile()
{
int scanCount = LastScanNum - FirstScanNum + 1;
double startTime = 0, endTime = 0;
_rawReader.GetStartTime(ref startTime);
_rawReader.GetEndTime(ref endTime);
// get the instrument model
String msModel = null;
_rawReader.GetInstModel(ref msModel);
// get acquisition software version
String softwareVersion = null;
_rawReader.GetInstSoftwareVersion(ref softwareVersion);
String filter = null;
_rawReader.GetFilterForScanNum(FirstScanNum, ref filter);
String rawConverterVersion = "1.0.0.x";
_mzXMLWriter.WriteHeader(scanCount, startTime * 60, endTime * 60, rawFileName, "Thermo Scientific",
msModel, "nanoelectrospray", msModel, msModel, "acquisition", "Xcalibur", softwareVersion, rawConverterVersion);
}
public RawFileProcessing(IXRawfile5 raw, string rawFileName, SettingsForAnalysis settingName)
{
//open rawfile (add error check)
raw.Open(rawFileName);
raw.SetCurrentController(0, 1);
raw.GetCreationDate(ref _msStart);
double endtime = 0.0;
raw.GetEndTime(ref endtime);
_msEnd = _msStart.AddMinutes(endtime);
_filecreation = File.GetCreationTime(rawFileName);
raw.GetWarningMessage(ref WarningMessage);
ProcessScans(raw, settingName);
raw.Close();
ReduceToMetaVariables(settingName);
}
