/// <summary>
/// Find the Isotope Profile
/// </summary>
/// <returns></returns>
public List <MSPoint> GetIsotopeProfileUsingMass(double mass)
{
mobj_theoretical_dist.Mass = mass;
List <MSPoint> isotopeprofiler = new List <MSPoint>();
mobj_theoretical_dist.CreateTheoreticalDistributionUsingMass();
StreamReader sr = new StreamReader("tmp.csv");
float tmpmz = 0.0f, tmpintensity, currentmz = 0.0f, currentintensity;
//Find max intensity in each peak
string tmp = sr.ReadLine();
currentmz = Convert.ToSingle(tmp.Split(',')[0]);
currentintensity = Convert.ToSingle(tmp.Split(',')[1]);
do
{
tmp = sr.ReadLine();
tmpmz = Convert.ToSingle(tmp.Split(',')[0]);
tmpintensity = Convert.ToSingle(tmp.Split(',')[1]);
if (Math.Abs(tmpmz - currentmz) < 0.9)
{
if (tmpintensity >= currentintensity)
{
currentintensity = tmpintensity;
currentmz = tmpmz;
}
}
else
{
isotopeprofiler.Add(new MSPoint(currentmz, currentintensity));
currentmz = tmpmz;
currentintensity = tmpintensity;
}
} while (!sr.EndOfStream);
isotopeprofiler.Add(new MSPoint(currentmz, currentintensity));
sr.Close();
return(isotopeprofiler);
}
