public void SetMassAlignmentData(List <MassAlignmentDataItem> massAlignmentData)
{
var mzVals = massAlignmentData.Select(p => p.mz).ToArray();
var mzPPMCorrVals = massAlignmentData.Select(p => p.mzPPMCorrection).ToArray();
var scanVals = massAlignmentData.Select(p => p.scan).ToArray();
var scanPPMCorrVals = massAlignmentData.Select(p => p.scanPPMCorrection).ToArray();
if (AlignmentInfo == null)
{
AlignmentInfo = new MultiAlignEngine.Alignment.clsAlignmentFunction(MultiAlignEngine.Alignment.enmCalibrationType.HYBRID_CALIB, MultiAlignEngine.Alignment.enmAlignmentType.NET_MASS_WARP);
}
AlignmentInfo.marrMassFncMZInput = new float[mzVals.Length];
AlignmentInfo.marrMassFncMZPPMOutput = new float[mzVals.Length];
AlignmentInfo.marrMassFncTimeInput = new float[mzVals.Length];
AlignmentInfo.marrMassFncTimePPMOutput = new float[mzVals.Length];
AlignmentInfo.SetMassCalibrationFunctionWithMZ(ref mzVals, ref mzPPMCorrVals);
AlignmentInfo.SetMassCalibrationFunctionWithTime(ref scanVals, ref scanPPMCorrVals);
}
public void SetMassAlignmentData(ViperMassCalibrationData viperCalibrationData)
{
var numDataPoints = 3;
var mzVals = new float[numDataPoints];
var mzPPMCorrVals = new float[numDataPoints];
mzVals[0] = 0;
mzVals[1] = 1000;
mzVals[2] = 2000;
for (var index = 0; index < mzPPMCorrVals.Length; index++)
{
mzPPMCorrVals[index] = (float)viperCalibrationData.MassError;
}
//scanVals[0] = (MinLCScan + MaxLCScan) / (float)2;
//for (int index = 0; index < numDataPoints; index++)
//{
// scanPPMCorrVals[index] = (float)viperCalibrationData.MassError;
//}
if (AlignmentInfo == null)
{
AlignmentInfo =
new MultiAlignEngine.Alignment.clsAlignmentFunction(MultiAlignEngine.Alignment.enmCalibrationType.HYBRID_CALIB,
MultiAlignEngine.Alignment.enmAlignmentType.NET_MASS_WARP);
}
AlignmentInfo.marrMassFncMZInput = new float[mzVals.Length];
AlignmentInfo.marrMassFncMZPPMOutput = new float[mzVals.Length];
// ReSharper disable CommentTypo
//this.AlignmentInfo.marrMassFncTimeInput = new float[mzVals.Length];
//this.AlignmentInfo.marrMassFncTimePPMOutput = new float[mzVals.Length];
// ReSharper restore CommentTypo
AlignmentInfo.SetMassCalibrationFunctionWithMZ(ref mzVals, ref mzPPMCorrVals);
}
