private ScanSet CreateScanSet(int scanNum)
{
ScanSetFactory ssf = new ScanSetFactory();
int closestScanNum = Run.GetClosestMSScan(scanNum, DeconTools.Backend.Globals.ScanSelectionMode.CLOSEST);
return(ssf.CreateScanSet(this.Run, closestScanNum, this.NumScansSummed));
}
public void Test1()
{
var rf = new RunFactory();
var run = rf.CreateRun(FileRefs.RawDataMSFiles.OrbitrapStdFile1);
var ssf = new ScanSetFactory();
var scan = ssf.CreateScanSet(run, 6005, 11);
Console.WriteLine(scan);
}
public void CreateScanSetBasedOnRangeOfScansTest1()
{
var startScan = 5970;
var stopScan = 6035;
var rf = new RunFactory();
var run = rf.CreateRun(FileRefs.RawDataMSFiles.OrbitrapStdFile1);
var ssf = new ScanSetFactory();
var scan = ssf.CreateScanSet(run, 6005, startScan, stopScan);
Assert.AreEqual("6005 {5970, 5977, 5984, 5991, 5998, 6005, 6012, 6019, 6026, 6033}", scan.ToString());
}
public ScanSet GetLCScanSetForChromPeak(Peak chromPeak, Run run, int numLCScansToSum)
{
ScanSet scanset;
if (chromPeak == null || chromPeak.XValue == 0)
{
return(null);
//throw new NullReferenceException("Trying to use chromPeak to generate mass spectrum, but chrompeak is null");
}
var bestScan = (int)chromPeak.XValue;
bestScan = run.GetClosestMSScan(bestScan, DeconTools.Backend.Globals.ScanSelectionMode.CLOSEST);
scanset = _scansetFactory.CreateScanSet(run, bestScan, numLCScansToSum);
if (run.MSFileType == DeconTools.Backend.Globals.MSFileType.PNNL_UIMF)
{
// GORD: Update this when fixing CurrentFrameSet
throw new NotSupportedException("UIMF worflows should use a UIMF specific peak selector.");
}
return(scanset);
}