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)); }