public MercuryIsotopeDistribution(string isotopeFileName)
{
//ElementalIsotopeComposition.LoadData(isotopeFileName);
ChargeCarrierMass = 1.00727638;
ApType = ApodizationType.Gaussian;
MercurySize = 8192;
}
public MercuryIsotopeDistribution(MercuryIsotopeDistribution mercDistribution)
{
ElementalIsotopeComposition = mercDistribution.ElementalIsotopeComposition;
ChargeCarrierMass = mercDistribution.ChargeCarrierMass;
ApType = mercDistribution.ApType;
MercurySize = mercDistribution.MercurySize;
PointsPerAmu = mercDistribution.PointsPerAmu;
}
public void SetApodizationZeroFillOptions(ApodizationType type, double min_x, double max_x,
int apodization_percent,
short num_zeros)
{
menmApodizationType = type;
mdbl_apodization_min_x = min_x;
mdbl_apodization_max_x = max_x;
mint_apodization_apex_percent = apodization_percent;
mshort_num_zeros = num_zeros;
}
public clsRawDataPreprocessOptions()
{
menmApodizationType = ApodizationType.NOAPODIZATION;
mintApodizationPercent = 50;
mdbl_apodization_min_x = 0;
mdbl_apodization_max_x = 0.9437166;
mshort_num_zeros = 0;
menmCalibrationType = CalibrationType.UNDEFINED;
mdbl_A = 0;
mdbl_B = 0;
mdbl_C = 0;
}
public Icr2lsRawData()
{
mptr_data = null;
mptr_data_copy = null;
mint_allocated_size = 0;
marr_file_name = "";
mint_last_scan_num = -1;
mint_num_points_in_scan = 0;
mint_allocated_size = 0;
mbln_tic_file = false;
menmApodizationType = ApodizationType.NOAPODIZATION;
mshort_num_zeros = 0;
mbln_use_specified_calibration = false;
}
public MercuryIsotopeDistribution()
{
ChargeCarrierMass = 1.00727638;
ApType = ApodizationType.Gaussian;
MercurySize = 8192;
}
public static void Apodize(double minX, double maxX, double sampleRate, bool invert, ApodizationType type,
float[] vectIntensities, int numPts, int apexPosition = 50)
{
var startIndex = (int)(minX * sampleRate);
var stopIndex = (int)(maxX * sampleRate);
if (startIndex > stopIndex)
{
var temp = startIndex;
startIndex = stopIndex;
stopIndex = startIndex;
}
if (stopIndex >= numPts)
{
stopIndex = numPts - 1;
}
if (apexPosition != 50)
{
var apexIndex = startIndex + ((stopIndex - startIndex) * apexPosition) / 100;
for (var index = startIndex; index < apexIndex; index++)
{
vectIntensities[index] = vectIntensities[index] * (index - startIndex) / (apexIndex - startIndex);
}
for (var index = apexIndex; index < stopIndex; index++)
{
vectIntensities[index] = vectIntensities[index] * (stopIndex - index) / (stopIndex - apexIndex);
}
}
if (!invert)
{
switch (type)
{
case ApodizationType.SQUARE:
PerformSquareApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.PARZEN:
PerformParzenApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.HANNING:
PerformHanningApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.WELCH:
PerformWelchApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.TRIANGLE:
PerformTriangleApodization(startIndex, stopIndex, vectIntensities);
break;
default:
break;
}
}
else
{
switch (type)
{
case ApodizationType.SQUARE:
PerformInvertedSquareApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.PARZEN:
PerformInvertedParzenApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.HANNING:
PerformInvertedHanningApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.WELCH:
PerformInvertedWelchApodization(startIndex, stopIndex, vectIntensities);
break;
case ApodizationType.TRIANGLE:
PerformInvertedTriangleApodization(startIndex, stopIndex, vectIntensities);
break;
default:
break;
}
}
}
