/// <summary>
/// group files based on three items: Ion polarity, fragmentor voltage and storage type.
/// </summary>
/// <param name="dataAccess"></param>
/// <param name="ionPolarity"></param>
/// <param name="fragmentorVoltage"></param>
/// <returns></returns>
private DesiredMSStorageType GetStorageType(IDataAccess dataAccess, IonPolarity ionPolarity, double fragmentorVoltage)
{
DesiredMSStorageType storageModeToUse;
IMSChromatogram chromatogram;
bool requiresTofData = true;
IBDAFileInformation fileInfo = dataAccess.FileInformation;
if (fileInfo.MSScanFileInformation.DeviceType == DeviceType.Quadrupole)
{
requiresTofData = false;
}
storageModeToUse = FindCpdsUtilities.GetStorageTypeToUse(dataAccess, ionPolarity, requiresTofData, MSLevel.MS, fragmentorVoltage, out chromatogram);
return(storageModeToUse);
}
private List <IonPolarity> GetScanIonPolarities(IDataAccess dataAccess)
{
List <IonPolarity> rv = new List <IonPolarity>();
IonPolarity polaritiesInFile = IonPolarity.Unassigned;
IBDAFileInformation fileInfo = dataAccess.FileInformation;
if (fileInfo.IsMSDataPresent())
{
IBDAMSScanFileInformation msInfo = fileInfo.MSScanFileInformation;
IBDAMSScanTypeInformation scanInfo = msInfo.GetMSScanTypeInformation(MSScanType.Scan);
if (scanInfo != null)
{
polaritiesInFile = scanInfo.IonPolarities;
}
}
if (polaritiesInFile == IonPolarity.Unassigned)
{
UserMessage msg = new UserMessage(0,
string.Empty,
ProgramModule.CoreFacades,
DACoreFacadeMessages.MSG_MFE_NoMsScanData);
throw new MSDAApplicationException(msg as IUserMessage);
}
switch (polaritiesInFile)
{
case IonPolarity.Mixed:
rv.Add(IonPolarity.Positive);
rv.Add(IonPolarity.Negative);
break;
case IonPolarity.Positive:
rv.Add(IonPolarity.Positive);
break;
case IonPolarity.Negative:
rv.Add(IonPolarity.Negative);
break;
default:
break;
}
return(rv);
}
private bool IsGCData()
{
bool bRet = false;
if (m_analyses.Count() > 0)
{
var analysis = m_analyses[0];
if (analysis.DataAccess != null)
{
IBDAFileInformation fileInfo = analysis.DataAccess.FileInformation;
if (fileInfo.MSScanFileInformation.IonModes == IonizationMode.EI)
{
bRet = true;
}
}
}
return(bRet);
}
private void PrintFileInfo(IMsdrDataReader dataAccess)
{
IBDAFileInformation fileInfo = dataAccess.FileInformation;
println("Data File: " + fileInfo.DataFileName);
println("Acquisition Time: " + fileInfo.AcquisitionTime.ToShortDateString());
println("IRM Status: " + fileInfo.IRMStatus);
println("Measurement Type: " + fileInfo.MeasurementType);
println("Separation Technique: " + fileInfo.SeparationTechnique);
print("MS Data Present: ");
if (fileInfo.IsMSDataPresent())
{
println("yes");
}
else
{
println("no");
}
print("Non-MS data present: ");
if (fileInfo.IsNonMSDataPresent())
{
println("yes");
}
else
{
println("no");
}
print("UV spectra present: ");
if (fileInfo.IsUVSpectralDataPresent())
{
println("yes");
}
else
{
println("no");
}
}
