/// <summary>
/// Create stick graph of a single scan.
/// </summary>
private void CreateSingleScan()
{
GraphPane.YAxis.Title.Text = Resources.AbstractMSGraphItem_CustomizeYAxis_Intensity;
graphControl.IsEnableVZoom = graphControl.IsEnableVPan = false;
// Create a point list for each transition, and a default point list for points not
// associated with a transition.
var pointLists = new PointPairList[_msDataFileScanHelper.ScanProvider.Transitions.Length];
for (int i = 0; i < pointLists.Length; i++)
pointLists[i] = new PointPairList();
var defaultPointList = new PointPairList();
var allPointList = new PointPairList();
// Assign each point to a transition point list, or else the default point list.
IList<double> mzs;
IList<double> intensities;
if (_msDataFileScanHelper.MsDataSpectra.Length == 1)
{
mzs = _msDataFileScanHelper.MsDataSpectra[0].Mzs;
intensities = _msDataFileScanHelper.MsDataSpectra[0].Intensities;
}
else
{
mzs = new List<double>();
intensities = new List<double>();
var fullScans = _msDataFileScanHelper.GetFilteredScans();
double minMz;
var indices = new int[fullScans.Length];
while ((minMz = FindMinMz(fullScans, indices)) < double.MaxValue)
{
mzs.Add(minMz);
intensities.Add(SumIntensities(fullScans, minMz, indices));
}
}
for (int i = 0; i < mzs.Count; i++)
{
double mz = mzs[i];
double intensity = intensities[i];
allPointList.Add(mz, intensity);
var assignedPointList = defaultPointList;
for (int j = 0; j < _msDataFileScanHelper.ScanProvider.Transitions.Length; j++)
{
var transition = _msDataFileScanHelper.ScanProvider.Transitions[j];
if (transition.Source != _msDataFileScanHelper.Source ||
mz <= transition.ProductMz - transition.ExtractionWidth/2 ||
mz > transition.ProductMz + transition.ExtractionWidth/2)
continue;
assignedPointList = pointLists[j];
break;
}
assignedPointList.Add(mz, intensity);
}
// Create a graph item for each point list with its own color.
for (int i = 0; i < pointLists.Length; i++)
{
var transition = _msDataFileScanHelper.ScanProvider.Transitions[i];
if (transition.Source != _msDataFileScanHelper.Source)
continue;
var item = new SpectrumItem(pointLists[i], transition.Color, 2);
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
// Add points that aren't associated with a transition.
{
var item = new SpectrumItem(defaultPointList, Color.Gray);
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
// Create curve for all points to provide shading behind stick graph.
if (_msDataFileScanHelper.MsDataSpectra.Length > 0 && !_msDataFileScanHelper.MsDataSpectra[0].Centroided)
{
var item = new SpectrumShadeItem(allPointList, Color.FromArgb(100, 225, 225, 150));
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
GraphPane.SetScale(CreateGraphics());
}
/// <summary>
/// Create stick graph of a single scan.
/// </summary>
private void CreateSingleScan()
{
GraphPane.YAxis.Title.Text = Resources.AbstractMSGraphItem_CustomizeYAxis_Intensity;
graphControl.IsEnableVZoom = graphControl.IsEnableVPan = false;
// Create a point list for each transition, and a default point list for points not
// associated with a transition.
var pointLists = new PointPairList[_msDataFileScanHelper.ScanProvider.Transitions.Length];
for (int i = 0; i < pointLists.Length; i++)
{
pointLists[i] = new PointPairList();
}
var defaultPointList = new PointPairList();
var allPointList = new PointPairList();
// Assign each point to a transition point list, or else the default point list.
IList <double> mzs;
IList <double> intensities;
bool negativeScan;
var spectra = _msDataFileScanHelper.MsDataSpectra;
if (spectra.Length == 1 && spectra[0].IonMobilities == null)
{
mzs = spectra[0].Mzs;
intensities = spectra[0].Intensities;
negativeScan = spectra[0].NegativeCharge;
}
else
{
// Ion mobility being shown as 2-D spectrum
mzs = new List <double>();
intensities = new List <double>();
var fullScans = _msDataFileScanHelper.GetFilteredScans();
negativeScan = fullScans.Any() && fullScans.First().NegativeCharge;
double minMz;
var indices = new int[fullScans.Length];
while ((minMz = FindMinMz(fullScans, indices)) < double.MaxValue)
{
mzs.Add(minMz);
intensities.Add(SumIntensities(fullScans, minMz, indices));
}
}
for (int i = 0; i < mzs.Count; i++)
{
double mz = mzs[i];
double intensity = intensities[i];
allPointList.Add(mz, intensity);
var assignedPointList = defaultPointList;
for (int j = 0; j < _msDataFileScanHelper.ScanProvider.Transitions.Length; j++)
{
var transition = _msDataFileScanHelper.ScanProvider.Transitions[j];
// Polarity should match, because these are the spectra used for extraction
Assume.IsTrue(transition.PrecursorMz.IsNegative == negativeScan);
if (transition.Source != _msDataFileScanHelper.Source ||
mz <= transition.ProductMz.Value - transition.ExtractionWidth / 2 ||
mz > transition.ProductMz.Value + transition.ExtractionWidth / 2)
{
continue;
}
assignedPointList = pointLists[j];
break;
}
assignedPointList.Add(mz, intensity);
}
// Create a graph item for each point list with its own color.
for (int i = 0; i < pointLists.Length; i++)
{
var transition = _msDataFileScanHelper.ScanProvider.Transitions[i];
if (transition.Source != _msDataFileScanHelper.Source)
{
continue;
}
var item = new SpectrumItem(pointLists[i], transition.Color, 2);
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
// Add points that aren't associated with a transition.
{
var item = new SpectrumItem(defaultPointList, Color.Gray);
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
// Create curve for all points to provide shading behind stick graph.
if (_msDataFileScanHelper.MsDataSpectra.Length > 0 && !_msDataFileScanHelper.MsDataSpectra[0].Centroided)
{
var item = new SpectrumShadeItem(allPointList, Color.FromArgb(100, 225, 225, 150));
var curveItem = _graphHelper.GraphControl.AddGraphItem(GraphPane, item, false);
curveItem.Label.IsVisible = false;
}
GraphPane.SetScale(CreateGraphics());
}