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); }