public void Mono3()
{
MzXmlReader reader = new MzXmlReader();
reader.Open("data/orbixl-mini.mzxml");
var scans = new List <Scan>();
Scan ms2Scan = new Scan();
Scan parentScan = new Scan();
GetBlock(reader, 3, ref ms2Scan, ref parentScan, ref scans);
MonocleOptions options = new MonocleOptions();
Monocle.Run(scans, parentScan, ms2Scan.Precursors[0], options);
Assert.Equal(869.449817, ms2Scan.Precursors[0].Mz, 3);
}
public void Mono2()
{
MzXmlReader reader = new MzXmlReader();
reader.Open("data/orbixl-mini.mzxml", new ScanReaderOptions());
var scans = new List <Scan>();
Scan ms2Scan = new Scan();
Scan parentScan = new Scan();
GetBlock(reader, 2, ref ms2Scan, ref parentScan, ref scans);
MonocleOptions options = new MonocleOptions();
Monocle.Run(scans, parentScan, ms2Scan.Precursors[0], options);
Assert.Equal(1009.98842, ms2Scan.Precursors[0].Mz, 2);
}
public void WindowTest()
{
MzXmlReader reader = new MzXmlReader();
reader.Open("data/orbixl-mini.mzxml");
var scans = new List <Scan>();
foreach (Scan scan in reader)
{
scans.Add(scan);
}
MonocleOptions options = new MonocleOptions();
options.AveragingVector = AveragingVector.Both;
options.Number_Of_Scans_To_Average = 6;
var nearby = Monocle.GetNearbyScans(ref scans, scans[scans[10].PrecursorMasterScanNumber - 1], options);
Assert.Equal(13, nearby.Count);
}
public void MonoAll()
{
MzXmlReader reader = new MzXmlReader();
reader.Open("data/orbixl-mini.mzxml");
var scans = new List <Scan>();
foreach (Scan scan in reader)
{
scans.Add(scan);
}
MonocleOptions options = new MonocleOptions();
options.AveragingVector = AveragingVector.Both;
Monocle.Run(ref scans, options);
Assert.Equal(687.39195, scans[10].Precursors[0].Mz, 3);
Assert.Equal(1009.98842, scans[31].Precursors[0].Mz, 2);
Assert.Equal(869.449817, scans[52].Precursors[0].Mz, 3);
}