Plot title and grid.

Author: nbollis

MetaMorpheus/GUI/MetaDraw/DeconExplorationTabView.xaml

@@ -109,14 +109,16 @@
                 </DataGridTemplateColumn>
                 <DataGridTextColumn Header="Mono Mass" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
                                     Binding="{Binding MonoisotopicMass, StringFormat={}{0:F2}}" Width="80"/>
-                <DataGridTextColumn Header="Mz" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
+                <DataGridTextColumn Header="Mz (Most Abundant)" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
                                     Binding="{Binding MostAbundantMz, StringFormat={}{0:F2}}" Width="60"/>
                 <DataGridTextColumn Header="Z" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
                                     Binding="{Binding Charge}" Width="30"/>
                 <DataGridTextColumn Header="Intensity" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
                                     Binding="{Binding Intensity, StringFormat={}{0:F2}}" Width="70"/>
                 <DataGridTextColumn Header="Peaks" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
                                     Binding="{Binding PeakCount}" Width="40"/>
+                <DataGridTextColumn Header="Mz (Monoisotopic)" ElementStyle="{StaticResource DataGridCenteredCellStyle}"
+                                    Binding="{Binding MonoMz, StringFormat={}{0:F2}}" Width="60"/>
                 <DataGridTextColumn Header="Peak Mzs" 
                                     Binding="{Binding PeakMzs}" Width="Auto"/>
             </DataGrid.Columns>

MetaMorpheus/GuiFunctions/MetaDraw/DeconExploration/DeconvolutedSpeciesViewModel.cs

@@ -1,5 +1,6 @@
 #nullable enable
 using System.Linq;
+using Chemistry;
 using MassSpectrometry;
 using MathNet.Numerics;
 using OxyPlot;
@@ -19,5 +20,6 @@ public class DeconvolutedSpeciesViewModel(IsotopicEnvelope envelope) : BaseViewM
     public double Intensity => Envelope.Peaks.Sum(p => p.intensity);
     public string Annotation => $"M={MonoisotopicMass.Round(2)}\nz={Charge}";
     public double MostAbundantMz => Envelope.Peaks.MaxBy(p => p.intensity).mz;
+    public double MonoMz => Envelope.MonoisotopicMass.ToMz(Envelope.Charge);
     public string PeakMzs => string.Join(", ", Envelope.Peaks.Select(p => p.mz.Round(2)).OrderBy(p => p));
 }

MetaMorpheus/GuiFunctions/MetaDraw/DeconExploration/DeconvolutionPlot.cs

@@ -83,12 +83,14 @@ public void ZoomAxes(MsDataScan scan, double maxAnnotatedMz, MzRange? isolationR
         // Full Scan
         if (isolationRange is null)
         {
+            Model.Title = $"Scan {scan.OneBasedScanNumber} (MS{scan.MsnOrder})";
             Model.Axes[0].Zoom(scan.MassSpectrum.Range.Minimum, maxAnnotatedMz + 50);
             Model.Axes[1].Zoom(0, scan.MassSpectrum.YofPeakWithHighestY!.Value * YRangeMultiplier);
         }
         // Isolation Region
         else
         {
+            Model.Title = $"Scan {scan.OneBasedScanNumber} (MS{scan.MsnOrder}) - Isolation Window {isolationRange.Minimum}-{isolationRange.Maximum} m/z";
 
             var extracted = scan.MassSpectrum.Extract(isolationRange);
             double maxIntensity = 0;