Exemplo n.º 1
0
        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);
        }
Exemplo n.º 2
0
    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);
    }
Exemplo n.º 3
0
    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);
    }
Exemplo n.º 4
0
    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);
    }
Exemplo n.º 5
0
    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);
    }