/// Writes three spectra files to disk so that the data can be compared before and after summing
public void GetSummedSpectrumTestWriteToDisk()
{
var testfile =
@"\\proto-5\BionetXfer\People\ScottK\2012_01_12 SPIN QTOF3\GLY06_11JAN12_LYNX_SN7980_TOP4wList_75000_SPIN_2.d";
Run run = new DeconTools.Backend.Runs.AgilentDRun(testfile);
var primaryScan = 10000;
//Scan A
var scansetA = new ScanSet(primaryScan - 1);
var xydata = new XYData();
xydata = run.GetMassSpectrum(scansetA, 0, 6000);
TestUtilities.WriteToFile(xydata, @"P:\ScanA.txt");
TestUtilities.DisplayXYValues(xydata);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
//Scan B
var scansetB = new ScanSet(primaryScan);
xydata = run.GetMassSpectrum(scansetB, 0, 6000);
TestUtilities.WriteToFile(run.XYData, @"P:\ScanB.txt");
TestUtilities.DisplayXYValues(run.XYData);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
//Scan C
var scansetC = new ScanSet(primaryScan + 1);
xydata = run.GetMassSpectrum(scansetC, 0, 6000);
TestUtilities.WriteToFile(run.XYData, @"P:\ScanC.txt");
TestUtilities.DisplayXYValues(run.XYData);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
//Scan ABC summed
var scansetSum = new ScanSet(primaryScan, primaryScan - 1, primaryScan + 1);//primary, min, max
xydata = run.GetMassSpectrum(scansetSum, 0, 6000);
TestUtilities.WriteToFile(run.XYData, @"P:\ScanABC.txt");
TestUtilities.DisplayXYValues(run.XYData);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
}
///checks the length of a non-summed and summed spectra
public void GetSummedSpectrumTest1()
{
var testfile =
@"\\proto-5\BionetXfer\People\ScottK\2012_01_12 SPIN QTOF3\GLY06_11JAN12_LYNX_SN7980_TOP4wList_75000_SPIN_2.d";
var stopWatch = new Stopwatch();
Run run = new DeconTools.Backend.Runs.AgilentDRun(testfile);
var scanset = new ScanSet(25);
stopWatch.Start();
var xydata = new XYData();
xydata = run.GetMassSpectrum(scanset);
stopWatch.Stop();
var singleSpectraLoadTime = stopWatch.Elapsed;
TestUtilities.DisplayXYValues(run.XYData);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
var scansetSum = new ScanSet(25, 24, 26);
stopWatch.Start();
xydata = run.GetMassSpectrum(scansetSum);
stopWatch.Stop();
var threeScanSumSpectraLoadTime = stopWatch.Elapsed;
TestUtilities.DisplayXYValues(run.XYData);
Console.WriteLine("numPoints = " + run.XYData.Xvalues.Length);
Console.WriteLine("This took " + singleSpectraLoadTime + " seconds to load one scan");
Console.WriteLine("This took " + threeScanSumSpectraLoadTime + " seconds to load and sum three scans");
Assert.AreEqual(258899, run.XYData.Xvalues.Length);
}
public void GetSpectrumTest1()
{
Run run = new DeconTools.Backend.Runs.AgilentDRun(agilentDataset1);
var scanset = new ScanSet(25);
var xydata = new XYData();
xydata = run.GetMassSpectrum(scanset, 0, 6000);
//TestUtilities.DisplayXYValues(xydata);
Console.WriteLine("numPoints = " + xydata.Xvalues.Length);
Assert.AreEqual(156723, xydata.Xvalues.Length);
}