public void TuneScans(List <SQTScan> scans)
{
Console.WriteLine("Tuning Scans");
foreach (SQTScan scan in scans)
{
MLLMFileInterpolant interpolant = interpolants.First(a => a.MyFile.Equals(scan.FileName));
double estimatedPPMError = interpolant.Interpolate(GetMZ(scan), scan.ScanNumber, true);
double correctionValue = Math.Abs((estimatedPPMError * scan.MeasuredMH) / 1000000);
if (estimatedPPMError < 0)
{
scan.MeasuredMH += correctionValue;
}
else
{
scan.MeasuredMH -= correctionValue;
}
}
Console.WriteLine("Done tunning scans");
}
public double GetPPM(string fileName, int ScanNumber, double MZ)
{
MLLMFileInterpolant theInterpolant = interpolants.First(a => a.MyFile.Equals(fileName));
return(theInterpolant.Interpolate(MZ, ScanNumber, true));
}