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( BinaryDataCompressionType.NoCompression, BinaryDataType.Float32, BinaryDataType.Float32); //Peak1D[] peaks = new Peak1D[ms.NumDataPoints]; //for (int i = 0; i < ms.NumDataPoints; i++) // peaks[i] = new Peak1D(ms.GetYValue(i), ms.GetXValue(i)); //pa.Peaks = MzLiteArray.ToMzLiteArray(peaks); pa.Peaks = new WiffPeaksArray(ms); 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))); } }
internal WiffPeaksArray(Clearcore2.Data.MassSpectrum wiffSpectrum) { this.wiffSpectrum = wiffSpectrum; }