Beispiel #1
0
        public void GenerateFromMSMS()
        {
            dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile2);
            spectrumCache = new SpectrumCache();
            xicGenerator = new XicGenerator(dataFile.run, spectrumCache);

            IXYData xic = xicGenerator.Generate(592.3, 592.3, 0.01, TimeUnit.Seconds);

            Assert.AreEqual(239, xic.XValues.Count);
            Assert.AreEqual(7.6804, Math.Round(xic.GetXYPair(168).XValue, 10));
            Assert.AreEqual(519, xic.GetXYPair(168).YValue);
        }
        public void Open(string fileName, int sampleIndex)
        {
            if (_currentSampleIndex != sampleIndex || _currentFileName != fileName)
            {
                MSDataList msdList = new MSDataList();
                ReaderList.FullReaderList.read(fileName, msdList);
                _dataFile = msdList[0];
                _run = _dataFile.run;

                _currentFileName = fileName;
                _currentSampleIndex = sampleIndex;

                spectrumCache = new SpectrumCache();
                ticGenerator = new TicGenerator(_run, spectrumCache);
                xicGenerator = new XicGenerator(_run, spectrumCache);
                spectrumExtractor = new SpectrumExtractor(_run, spectrumCache);
                averagedSpectrumExtractor = new AveragedSpectrumExtractor(_run, spectrumCache);
            }
        }
Beispiel #3
0
        public void MyTestInitialize()
        {
            dataFile = new MSDataFile(Properties.Settings.Default.mzXMLTestFile1);
            spectrumCache = new SpectrumCache();
            xicGenerator = new XicGenerator(dataFile.run, spectrumCache);

            timer = new Stopwatch();
        }