public static ISpectraFilter CreateFilter(SpectraFilters filterType)
{
ISpectraFilter filter = null;
switch (filterType)
{
case SpectraFilters.RawThreshold:
filter = new ThresholdSpectralFilter();
break;
case SpectraFilters.TopPercent:
filter = new TopPercentSpectralFilter();
break;
default:
break;
}
return(filter);
}
public void TestSpectralSimilarityScore(
string pathX, int scanX,
string pathY, int scanY,
SpectralComparison comparerType,
SpectraFilters filterType,
double percent,
double mzTolerance)
{
// Convert relative paths to absolute paths
pathX = GetPath(pathX);
pathY = GetPath(pathY);
var spectrumX = GetSpectrum(pathX, scanX);
var spectrumY = GetSpectrum(pathY, scanY);
var comparer = SpectralComparerFactory.CreateSpectraComparer(comparerType, percent);
var filter = SpectrumFilterFactory.CreateFilter(filterType);
spectrumX.Peaks = filter.Threshold(spectrumX.Peaks, percent);
spectrumY.Peaks = filter.Threshold(spectrumY.Peaks, percent);
spectrumX.Peaks = XYData.Bin(spectrumX.Peaks,
0,
2000,
mzTolerance);
spectrumY.Peaks = XYData.Bin(spectrumY.Peaks,
0,
2000,
mzTolerance);
var value = comparer.CompareSpectra(spectrumX, spectrumY);
var path = Path.GetDirectoryName(pathX);
var plotTitle = string.Format("comparison-{2}-{3}-{0}-{1}_{4:0.000}", scanX, scanY, comparerType, percent,
value);
var pathCompareImage = Path.Combine(path, plotTitle + ".png");
DisplayComparisonPlot(spectrumX, spectrumY, mzTolerance, pathCompareImage, plotTitle);
}
public void TestSpectralSimilarityScore(
string pathX, int scanX,
string pathY, int scanY,
SpectralComparison comparerType,
SpectraFilters filterType,
double percent,
double mzTolerance)
{
// Convert relative paths to absolute paths
pathX = GetPath(pathX);
pathY = GetPath(pathY);
var spectrumX = GetSpectrum(pathX, scanX);
var spectrumY = GetSpectrum(pathY, scanY);
var comparer = SpectralComparerFactory.CreateSpectraComparer(comparerType, percent);
var filter = SpectrumFilterFactory.CreateFilter(filterType);
spectrumX.Peaks = filter.Threshold(spectrumX.Peaks, percent);
spectrumY.Peaks = filter.Threshold(spectrumY.Peaks, percent);
spectrumX.Peaks = XYData.Bin(spectrumX.Peaks,
0,
2000,
mzTolerance);
spectrumY.Peaks = XYData.Bin(spectrumY.Peaks,
0,
2000,
mzTolerance);
var value = comparer.CompareSpectra(spectrumX, spectrumY);
var path = Path.GetDirectoryName(pathX);
var plotTitle = string.Format("comparison-{2}-{3}-{0}-{1}_{4:0.000}", scanX, scanY, comparerType, percent,
value);
var pathCompareImage = Path.Combine(path, plotTitle + ".png");
DisplayComparisonPlot(spectrumX, spectrumY, mzTolerance, pathCompareImage, plotTitle);
}
