/// <summary>
/// Loads the MS/MS spectrum from file.
/// </summary>
/// <param name="spectrum"></param>
public static List <XYData> LoadSpectrum(MSSpectra spectrum)
{
var peaks = new List <XYData>();
var info = SingletonDataProviders.GetDatasetInformation(spectrum.GroupId);
if (info != null && info.RawFile != null && info.RawFile.Path != null)
{
peaks = ParentSpectraFinder.GetDaughterSpectrum(info.RawFile.Path, spectrum.Scan);
}
return(peaks);
}
private void LoadSpectrum(MSFeatureLight msFeature)
{
var info = SingletonDataProviders.GetDatasetInformation(msFeature.GroupId);
if (info == null || info.RawFile.Path == null || info.RawFile.Path == null)
{
return;
}
var mz = msFeature.Mz;
var charge = msFeature.ChargeState;
var spacing = 1.0 / Convert.ToDouble(charge);
var lowMz = mz - spacing * 3;
var highMz = mz + spacing * (NumberOfIsotopes + 1);
var spectrum = ParentSpectraFinder.GetParentSpectrum(info.RawFile.Path,
msFeature.Scan,
lowMz,
highMz);
if (spectrum == null)
{
return;
}
var name = string.Format("Scan {0} Charge {1} Dataset {2}",
msFeature.Scan,
msFeature.ChargeState,
msFeature.GroupId
);
var msFeatureSpectra = new MsFeatureSpectraViewModel(msFeature, spectrum, name);
msFeatureSpectra.SetXExtrema(lowMz, highMz);
ParentSpectrumViewModel = msFeatureSpectra;
}
