/// <summary>
/// Name: GetParentMZ
/// Description: This function returns the ParentIon of the current experiment (determined by m_experimentCode).
/// </summary>
/// <returns>
/// Output: This function outputs the Parent Ion in the form of a double.
/// </returns>
public double GetParentMZ()
{
clsSpectrumInfo tempInfo = new clsSpectrumInfo();
m_fileToRead.GetSpectrumByScanNumber(this.m_experimentCode, ref tempInfo);
return(tempInfo.ParentIonMZ);
}
/// <summary>
/// This function returns an array of strings where the odd index's are intensities
/// and even index's are mz Values. The function takes advantage of the MSDataFileReader
/// from PNNL.
/// </summary>
/// <param name="scanNum">The scan number that is used to reference the experiment Data
/// in the currently opened File.</param>
/// <returns></returns>
List <Element> IExperimentParser.GetExperimentDataByScanNumber(int scanNum)
{
List <string> outputValues = new List <string>();
clsSpectrumInfo currentSpectrum;
if (this.m_fileOpened)
{
//Load the entire file into memory.
//m_fileToRead.ReadAndCacheEntireFile();
m_fileToRead.GetSpectrumByScanNumber(scanNum, out currentSpectrum);
List <Element> elements = new List <Element>();
foreach (double currentMzValue in currentSpectrum.MZList)
{
Element element = new Element();
element.Mz = currentMzValue;
element.Intensity = Convert.ToDouble(currentSpectrum.LookupIonIntensityByMZ(currentMzValue, (float)0.0, (float)0.04));
element.Matched = false;
elements.Add(element);
}
return(elements);
}
else
{
return(null);
}
}