public void TestCalcMinPeakIndex()
{
var spectrum = new Spectrum(new[] { 1, 2, 3, 4, 5, 6, 7.0 }, new[] { 2.0, 1, 2, 5, 2, 3, 6 });
var expected = new[] { 0, 1, 1, 1, 4, 4, 4, 4 };
for (int i = 0; i < spectrum.Count; i++)
{
var actual = spectrum.CalcMinPeakIndex(i);
Assert.AreEqual(expected[i], actual);
}
}
public static void DetectPeaks(Spectrum s, double intensityThreshold, out double[] peakCenterMass,
out float[] peakMinMass, out float[] peakMaxMass, out float[] peakIntensity,
bool maxIntensity, int npoints, CentroidPosition centroidPosition)
{
peakCenterMass = new double[s.Count];
peakMinMass = new float[s.Count];
peakMaxMass = new float[s.Count];
peakIntensity = new float[s.Count];
int peakCount = 0;
for (int i = 2; i < s.Count - 2; i++)
{
float m2 = s.GetIntensity(i - 2);
float m1 = s.GetIntensity(i - 1);
float x = s.GetIntensity(i);
float p1 = s.GetIntensity(i + 1);
float p2 = s.GetIntensity(i + 2);
if (x >= intensityThreshold)
{
if (s.IsMax(x, m1, p1, m2, p2))
{
int minInd = s.CalcMinPeakIndex(i);
int maxInd = s.CalcMaxPeakIndex(i);
if (maxInd - minInd > 2)
{
if (maxInd > i && minInd < i)
{
maxInd--;
minInd++;
}
else if (maxInd > i)
{
maxInd = i + 1;
}
else if (minInd < i)
{
minInd = i - 1;
}
CalcCenterMass(minInd, i, maxInd, s, out peakIntensity[peakCount],
out peakCenterMass[peakCount], maxIntensity, npoints, centroidPosition);
if ((!double.IsNaN(peakCenterMass[peakCount])) && (!float.IsNaN(peakIntensity[peakCount])))
{
if (minInd > 0)
{
peakMinMass[peakCount] = (float)(0.5 * (s.GetMass(minInd) + s.GetMass(minInd - 1)));
}
else
{
peakMinMass[peakCount] = (float)(1.5 * s.GetMass(0) - 0.5 * s.GetMass(1));
}
if (maxInd < s.Count - 1)
{
peakMaxMass[peakCount] = (float)(0.5 * (s.GetMass(maxInd) + s.GetMass(maxInd + 1)));
}
else
{
peakMaxMass[peakCount] = (float)(1.5 * s.GetMass(maxInd) - 0.5 * s.GetMass(maxInd - 1));
}
peakCount++;
}
}
}
}
}
peakCenterMass = ArrayUtil.SubArray(peakCenterMass, peakCount);
peakMinMass = ArrayUtil.SubArray(peakMinMass, peakCount);
peakMaxMass = ArrayUtil.SubArray(peakMaxMass, peakCount);
peakIntensity = ArrayUtil.SubArray(peakIntensity, peakCount);
}
