/// <summary>
/// Constructor
/// </summary>
/// <param name="masicOptions"></param>
/// <param name="peakFinder"></param>
/// <param name="parentIonProcessor"></param>
protected clsDataImport(
clsMASICOptions masicOptions,
MASICPeakFinder.clsMASICPeakFinder peakFinder,
clsParentIonProcessing parentIonProcessor,
clsScanTracking scanTracking)
{
mOptions = masicOptions;
mPeakFinder = peakFinder;
mParentIonProcessor = parentIonProcessor;
mScanTracking = scanTracking;
mDatasetFileInfo = new DatasetFileInfo();
mInterferenceCalculator = new InterDetect.InterferenceCalculator();
mInterferenceCalculator.StatusEvent += OnStatusEvent;
mInterferenceCalculator.ErrorEvent += OnErrorEvent;
mInterferenceCalculator.WarningEvent += InterferenceWarningEventHandler;
mCachedPrecursorIons = new List <InterDetect.Peak>();
mCachedPrecursorScan = 0;
mIsolationWidthNotFoundCount = 0;
mPrecursorNotFoundCount = 0;
}
public clsDataImportMGFandCDF(
clsMASICOptions masicOptions,
MASICPeakFinder.clsMASICPeakFinder peakFinder,
clsParentIonProcessing parentIonProcessor,
clsScanTracking scanTracking)
: base(masicOptions, peakFinder, parentIonProcessor, scanTracking)
{
}
/// <summary>
/// Constructor
/// </summary>
/// <param name="masicOptions"></param>
/// <param name="peakFinder"></param>
/// <param name="parentIonProcessor"></param>
/// <param name="scanTracking"></param>
public clsDataImportThermoRaw(
clsMASICOptions masicOptions,
clsMASICPeakFinder peakFinder,
clsParentIonProcessing parentIonProcessor,
clsScanTracking scanTracking)
: base(masicOptions, peakFinder, parentIonProcessor, scanTracking)
{
}
public void TestFilterData()
{
const int MAX_ALLOWABLE_ION_COUNT = 2000;
var options = new clsMASICOptions(string.Empty, string.Empty);
var peakFinder = new MASICPeakFinder.clsMASICPeakFinder();
var reporterIons = new clsReporterIons();
var parentIonProcessor = new clsParentIonProcessing(reporterIons);
var scanTracking = new clsScanTracking(reporterIons, peakFinder);
var dataImportUtilities = new MASIC.DataInput.clsDataImportThermoRaw(options, peakFinder, parentIonProcessor, scanTracking);
var mReporterIons = new clsReporterIons();
var msSpectrum = new clsMSSpectrum(1000);
for (var mz = 500.0; mz < 1000; mz += 0.1)
{
msSpectrum.IonsMZ.Add(mz);
msSpectrum.IonsIntensity.Add(100 + Math.Sin(mz / 10) * 50 - Math.Abs(750 - mz) / 10);
}
dataImportUtilities.DiscardDataToLimitIonCount(msSpectrum,
mReporterIons.MZIntensityFilterIgnoreRangeStart,
mReporterIons.MZIntensityFilterIgnoreRangeEnd,
MAX_ALLOWABLE_ION_COUNT);
var pointsToCheck = new Dictionary <int, KeyValuePair <double, double> >
{
{ 0, new KeyValuePair <double, double>(508.500, 103.43985) },
{ 10, new KeyValuePair <double, double>(509.500, 107.56497) },
{ 250, new KeyValuePair <double, double>(574.500, 121.65772) },
{ 500, new KeyValuePair <double, double>(637.800, 129.39681) },
{ 750, new KeyValuePair <double, double>(698.500, 128.37793) },
{ 1000, new KeyValuePair <double, double>(756.800, 113.22312) },
{ 1500, new KeyValuePair <double, double>(841.500, 122.01680) },
{ 1999, new KeyValuePair <double, double>(968.600, 103.38958) }
};
foreach (var item in pointsToCheck)
{
var index = item.Key;
Console.WriteLine(
"Data point {0,4}: {1:F4} m/z, {2:F4} counts",
item.Key, msSpectrum.IonsMZ[index], msSpectrum.IonsIntensity[index]);
Assert.AreEqual(item.Value.Key, msSpectrum.IonsMZ[index], 0.00001);
Assert.AreEqual(item.Value.Value, msSpectrum.IonsIntensity[index], 0.00001);
}
}
