public void TestGetLabelData()
{
int scan = 4677;
double ppmTolerance = 20;
PeakList <Peak> pkl1 = this.fullRawFile.GetLabelData(scan);
pkl1.FilterByTolerance(ppmTolerance);
var cd = new ChargeDeconvolution(ppmTolerance, 10);
PeakList <Peak> pkl2 = this.fullRawFile.GetMassListFromScanNum(scan, true);
pkl2.FilterByTolerance(ppmTolerance);
cd.Deconvolute(pkl2);
Assert.AreEqual(pkl1.Count, pkl2.Count);
}
public void TestDevonvoluteClosely()
{
ChargeDeconvolution cd = new ChargeDeconvolution(15, 10);
List<Peak> pl = new List<Peak>();
pl.Add(new Peak(1148.5970, 462555));
pl.Add(new Peak(1149.1007, 89539.4));
pl.Add(new Peak(1149.5902, 2.28526e+006));
pl.Add(new Peak(1150.1012, 898568));
pl.Add(new Peak(1150.2814, 93755));
pl.Add(new Peak(1151.2863, 98450.6));
cd.Deconvolute(pl);
Assert.AreEqual(2, pl[0].Charge);
Assert.AreEqual(2, pl[1].Charge);
Assert.AreEqual(2, pl[2].Charge);
Assert.AreEqual(2, pl[3].Charge);
Assert.AreEqual(1, pl[4].Charge);
Assert.AreEqual(1, pl[5].Charge);
}
public void TestDevonvolute()
{
ChargeDeconvolution cd = new ChargeDeconvolution(10, 10);
List<Peak> pl = new List<Peak>();
pl.Add(new Peak(407.266, 462555));
pl.Add(new Peak(408.269, 89539.4));
pl.Add(new Peak(474.271, 2.28526e+006));
pl.Add(new Peak(474.773, 898568));
pl.Add(new Peak(475.268, 93755));
pl.Add(new Peak(475.276, 98450.6));
pl.Add(new Peak(505.303, 784262));
pl.Add(new Peak(506.306, 169459));
pl.Add(new Peak(516.306, 19459));
pl.Add(new Peak(537.308, 888787));
pl.Add(new Peak(537.494, 88787));
pl.Add(new Peak(537.809, 266289));
cd.Deconvolute(pl);
Assert.AreEqual(1, pl[0].Charge);
Assert.AreEqual(1, pl[1].Charge);
Assert.AreEqual(2, pl[2].Charge);
Assert.AreEqual(2, pl[3].Charge);
Assert.AreEqual(0, pl[4].Charge);
Assert.AreEqual(2, pl[5].Charge);
Assert.AreEqual(1, pl[6].Charge);
Assert.AreEqual(1, pl[7].Charge);
Assert.AreEqual(0, pl[8].Charge);
Assert.AreEqual(2, pl[9].Charge);
Assert.AreEqual(0, pl[10].Charge);
Assert.AreEqual(2, pl[11].Charge);
}
public void TestDevonvoluteDifferentChargeContinuely()
{
ChargeDeconvolution cd = new ChargeDeconvolution(20, 10);
List<Peak> pl = new List<Peak>();
pl.Add(new Peak(1146.1007, 462555));
pl.Add(new Peak(1147.1007, 462555));
pl.Add(new Peak(1148.1007, 89539.4));
pl.Add(new Peak(1148.5970, 462555));
pl.Add(new Peak(1149.1007, 89539.4));
pl.Add(new Peak(1149.5902, 2.28526e+006));
pl.Add(new Peak(1150.1012, 898568));
cd.Deconvolute(pl);
Assert.AreEqual(1, pl[0].Charge);
Assert.AreEqual(1, pl[1].Charge);
Assert.AreEqual(2, pl[2].Charge);
Assert.AreEqual(2, pl[3].Charge);
Assert.AreEqual(2, pl[4].Charge);
Assert.AreEqual(2, pl[5].Charge);
Assert.AreEqual(2, pl[6].Charge);
}
public void TestGetLabelData()
{
int scan = 4677;
double ppmTolerance = 20;
PeakList<Peak> pkl1 = this.fullRawFile.GetLabelData(scan);
pkl1.FilterByTolerance(ppmTolerance);
var cd = new ChargeDeconvolution(ppmTolerance, 10);
PeakList<Peak> pkl2 = this.fullRawFile.GetMassListFromScanNum(scan, true);
pkl2.FilterByTolerance(ppmTolerance);
cd.Deconvolute(pkl2);
Assert.AreEqual(pkl1.Count, pkl2.Count);
}