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 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); }