public override double GetIsolationMass(int scan)
{
var rsf = new RawScanFilter();
rsf.Filter = GetFilterForScanNum(scan);
return(rsf.PrecursorMZ);
}
public void TestSetFilter()
{
var rsf = new RawScanFilter();
rsf.Filter = "+ c ESI Full ms [ 400.00-1800.00]";
Assert.AreEqual(1, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Centroided", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
rsf.Filter = "- c ESI d Full ms2 [email protected] [ 270.00-2000.00]";
Assert.AreEqual(2, rsf.MsLevel);
Assert.AreEqual("-", rsf.Polarity);
Assert.AreEqual("Centroided", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
Assert.AreEqual(1026.70, rsf.PrecursorMZ, 0.01);
Assert.AreEqual(35.00, rsf.CollisionEnergy, 0.01);
rsf.Filter = "+ p NSI d Z ms [ 270.00-2000.00]";
Assert.AreEqual(1, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Profile", rsf.SpectrumType);
Assert.AreEqual("zoom", rsf.ScanType);
rsf.Filter = "N + c ESI d Full ms3 [email protected] [email protected] [ 270.00-2000.00]";
Assert.AreEqual(3, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Centroided", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
Assert.AreEqual(1026.70, rsf.PrecursorMZ, 0.01);
Assert.AreEqual(35.00, rsf.CollisionEnergy, 0.01);
rsf.Filter = "- p Full ms2 [email protected] [ 80.00-275.00]";
Assert.AreEqual(2, rsf.MsLevel);
Assert.AreEqual("-", rsf.Polarity);
Assert.AreEqual("Profile", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
rsf.Filter = "+ p NSI !det Full ms2 [email protected] [email protected] [ 230.00-2000.00]";
Assert.AreEqual(2, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Profile", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
Assert.AreEqual(842.00, rsf.PrecursorMZ, 0.01);
rsf.Filter = "ITMS + c NSI d Full ms2 [email protected] [310.00-2000.00]";
Assert.AreEqual(2, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Centroided", rsf.SpectrumType);
Assert.AreEqual("Full", rsf.ScanType);
Assert.AreEqual(1167.57, rsf.PrecursorMZ, 0.01);
rsf.Filter = "+ c NSI SRM ms2 447.786 [244.164-244.166, 456.317-456.319, 571.343-571.345, 684.428-684.430, 781.480-781.482]";
Assert.AreEqual(2, rsf.MsLevel);
Assert.AreEqual("+", rsf.Polarity);
Assert.AreEqual("Centroided", rsf.SpectrumType);
Assert.AreEqual("SRM", rsf.ScanType);
Assert.AreEqual(447.786, rsf.PrecursorMZ, 0.001);
}
public override int GetMsLevel(int scan)
{
var filter = new RawScanFilter();
filter.Filter = GetFilterForScanNum(scan);
return(filter.MsLevel);
}