public override MsDataScan GetOneBasedScan(int oneBasedScanNumber)
{
if (Scans[oneBasedScanNumber - 1] == null)
{
var representativeScanNumber = oneBasedScanNumber + (numScansToAverage - 1) / 2;
var representative = raw.GetOneBasedScan(representativeScanNumber);
if (representative.MsnOrder != 1)
{
throw new MzLibException("Scan " + representativeScanNumber + " is not MS1 scan");
}
int msnOrder = 1;
Polarity polarity = representative.Polarity;
if (!representative.IsCentroid)
{
throw new MzLibException("Scan " + representativeScanNumber + " is not centroid scan");
}
bool isCentroid = true;
double retentionTime = representative.RetentionTime;
MZAnalyzerType mzAnalyzer = representative.MzAnalyzer;
MzSpectrum peaks = CombinePeaks(raw.GetAllScansList().Where(b => b.OneBasedScanNumber >= oneBasedScanNumber && b.OneBasedScanNumber <= oneBasedScanNumber + numScansToAverage - 1).Select(b => b.MassSpectrum).ToList(), ppmToleranceForPeakCombination);
MzRange scanWindowRange = representative.ScanWindowRange;
double totalIonCurrent = peaks.SumOfAllY;
double injectionTime = double.NaN;
double[,] noiseData = null;
Scans[oneBasedScanNumber - 1] = new MsDataScan(peaks, oneBasedScanNumber, msnOrder, isCentroid, polarity, retentionTime, scanWindowRange, null, mzAnalyzer, totalIonCurrent, injectionTime, noiseData, "scan=" + oneBasedScanNumber);
}
return(Scans[oneBasedScanNumber - 1]);
}
public IEnumerable <MsDataScan> GetMsScansInTimeRange(double firstRT, double lastRT)
{
int oneBasedSpectrumNumber = GetClosestOneBasedSpectrumNumber(firstRT);
while (oneBasedSpectrumNumber <= NumSpectra)
{
MsDataScan scan = GetOneBasedScan(oneBasedSpectrumNumber);
double rt = scan.RetentionTime;
if (rt < firstRT)
{
oneBasedSpectrumNumber++;
continue;
}
if (rt > lastRT)
{
yield break;
}
yield return(scan);
oneBasedSpectrumNumber++;
}
}
