public Peak1DArray ReadSpectrumPeaks(string spectrumID)
{
RaiseDisposed();
try
{
int sampleIndex, experimentIndex, scanIndex;
Parse(spectrumID, out sampleIndex, out experimentIndex, out scanIndex);
using (MassSpectrometerSample sample = batch.GetSample(sampleIndex).MassSpectrometerSample)
using (MSExperiment msExp = sample.GetMSExperiment(experimentIndex))
{
Clearcore2.Data.MassSpectrum ms = msExp.GetMassSpectrum(scanIndex);
Peak1DArray pa = new Peak1DArray(
ms.NumDataPoints,
BinaryDataCompressionType.ZLib,
BinaryDataType.Float32,
BinaryDataType.Float64);
for (int i = 0; i < ms.NumDataPoints; i++)
{
pa.Peaks[i] = new Peak1D(ms.GetYValue(i), ms.GetXValue(i));
}
return(pa);
}
}
catch (Exception ex)
{
throw new MzLiteIOException(ex.Message, ex);
}
}
private static IEnumerable <Peak1D> Yield(Clearcore2.Data.MassSpectrum wiffSpectrum)
{
for (int i = 0; i < wiffSpectrum.NumDataPoints; i++)
{
yield return(new Peak1D(
wiffSpectrum.GetYValue(i),
wiffSpectrum.GetXValue(i)));
}
}
public Peak1D this[int idx]
{
get
{
if (idx < 0 || idx >= Length)
{
throw new IndexOutOfRangeException();
}
return(new Peak1D(
wiffSpectrum.GetYValue(idx),
wiffSpectrum.GetXValue(idx)));
}
}