private void SetSpectraUI(MsDataSpectrum[] spectra)
{
_msDataFileScanHelper.MsDataSpectra = spectra;
_heatMapData = null;
if (_msDataFileScanHelper.MsDataSpectra == null)
return;
// Find max values.
_maxMz = 0;
_maxIntensity = 0;
GetMaxMzIntensity(out _maxMz, out _maxIntensity);
_maxDriftTime = 0;
foreach (var spectrum in spectra)
_maxDriftTime = Math.Max(_maxDriftTime, spectrum.DriftTimeMsec ?? 0);
if (_zoomXAxis)
{
_zoomXAxis = false;
ZoomXAxis();
}
if (_zoomYAxis)
{
_zoomYAxis = false;
ZoomYAxis();
}
CreateGraph();
UpdateUI();
}
/// <summary>
/// Create a drift time heat map graph.
/// </summary>
private void CreateDriftTimeHeatmap()
{
GraphPane.YAxis.Title.Text = Resources.GraphFullScan_CreateDriftTimeHeatmap_Drift_Time__ms_;
graphControl.IsEnableVZoom = graphControl.IsEnableVPan = true;
if (_heatMapData == null)
{
var points = new List<Point3D>(5000);
foreach (var scan in _msDataFileScanHelper.MsDataSpectra)
{
if (!scan.DriftTimeMsec.HasValue)
continue;
for (int j = 0; j < scan.Mzs.Length; j++)
points.Add(new Point3D(scan.Mzs[j], scan.DriftTimeMsec.Value, scan.Intensities[j]));
}
_heatMapData = new HeatMapData(points);
}
double minDrift;
double maxDrift;
_msDataFileScanHelper.GetDriftRange(out minDrift, out maxDrift, _msDataFileScanHelper.Source); // There may be a different drift time filter for products in Waters
if (minDrift > 0 && maxDrift < double.MaxValue)
{
// Add gray shaded box behind heat points.
var driftTimeBox = new BoxObj(
0.0,
maxDrift,
1.0,
maxDrift - minDrift,
Color.Transparent,
Color.FromArgb(50, Color.Gray))
{
Location = {CoordinateFrame = CoordType.XChartFractionYScale},
ZOrder = ZOrder.F_BehindGrid,
IsClippedToChartRect = true,
};
GraphPane.GraphObjList.Add(driftTimeBox);
// Add outline in front of heat points, so you can tell where the limits are in a dense graph.
var driftTimeOutline = new BoxObj(
0.0,
maxDrift,
1.0,
maxDrift - minDrift,
Color.FromArgb(50, Color.DarkViolet),
Color.Transparent)
{
Location = {CoordinateFrame = CoordType.XChartFractionYScale},
ZOrder = ZOrder.C_BehindChartBorder,
IsClippedToChartRect = true,
Border = new Border(Color.FromArgb(100, Color.DarkViolet), 2)
};
GraphPane.GraphObjList.Add(driftTimeOutline);
}
if (!Settings.Default.FilterDriftTimesFullScan)
{
minDrift = 0;
maxDrift = double.MaxValue;
}
var heatMapGraphPane = (HeatMapGraphPane)GraphPane;
heatMapGraphPane.SetPoints(_heatMapData, minDrift, maxDrift);
}
public void SetPoints(HeatMapData heatMapData, double yMin, double yMax)
{
_heatMapData = heatMapData;
_yMin = (float)yMin;
_yMax = (float)Math.Min(yMax, float.MaxValue);
}
public static void GraphHeatMap(GraphPane graphPane, HeatMapData heatMapData, int maxDotRadius, int minDotRadius, float yMin, float yMax, bool logScale, int cutoff)
{
graphPane.CurveList.Clear();
graphPane.XAxis.Scale.SetupScaleData(graphPane, graphPane.XAxis);
graphPane.YAxis.Scale.SetupScaleData(graphPane, graphPane.YAxis);
double cellWidth = Math.Abs(graphPane.XAxis.Scale.ReverseTransform(minDotRadius) - graphPane.XAxis.Scale.ReverseTransform(0));
double cellHeight = Math.Abs(graphPane.YAxis.Scale.ReverseTransform(minDotRadius) - graphPane.YAxis.Scale.ReverseTransform(0));
if (cellWidth <= 0 || double.IsNaN(cellWidth) || cellHeight <= 0 || double.IsNaN(cellHeight))
{
return;
}
// Use log scale for heat intensity.
double scale = (_heatMapColors.Length - 1) /
(logScale ? Math.Log(heatMapData.MaxPoint.Point.Z) : heatMapData.MaxPoint.Point.Z);
// Create curves for each intensity color.
var curves = new LineItem[_heatMapColors.Length];
for (int i = 0; i < curves.Length; i++)
{
var color = _heatMapColors[i];
curves[i] = new LineItem(string.Empty)
{
Line = new Line {
IsVisible = false
},
Symbol = new Symbol
{
Border = new Border {
IsVisible = false
},
Size = (int)(minDotRadius + i / (double)(curves.Length - 1) * (maxDotRadius - minDotRadius)),
Fill = new Fill(color),
Type = SymbolType.Circle,
IsAntiAlias = true
},
Tag = new List <object>()
};
if ((i + 1) % (_heatMapColors.Length / 4) == 0)
{
double intensity = logScale ? Math.Pow(Math.E, i / scale) : i / scale;
curves[i].Label.Text = intensity.ToString(@"F0");
}
graphPane.CurveList.Insert(0, curves[i]);
}
// Get points within bounds of graph/filter, with density appropriate for the current display resolution.
var points = heatMapData.GetPoints(
graphPane.XAxis.Scale.Min,
graphPane.XAxis.Scale.Max,
Math.Min(graphPane.YAxis.Scale.Min, yMin),
Math.Max(graphPane.YAxis.Scale.Max, yMax),
cellWidth,
cellHeight);
foreach (var heatPoint in points)
{
// A log scale produces a better visual display.
int intensity = (int)((logScale ? Math.Log(heatPoint.Point.Z) : heatPoint.Point.Z) * scale);
if (intensity >= cutoff)
{
curves[intensity].AddPoint(heatPoint.Point.X, heatPoint.Point.Y);
((List <object>)curves[intensity].Tag).Add(heatPoint.Tag);
}
}
}
public void SetPoints(HeatMapData heatMapData, double yMin, double yMax)
{
_heatMapData = heatMapData;
_yMin = (float) yMin;
_yMax = (float) Math.Min(yMax, float.MaxValue);
}