fix of the metal ion

xieguigang · Aug 3, 2023 · 24c1c68 · 24c1c68
1 parent ea8ac0d
commit 24c1c68
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Showing 6 changed files with 7 additions and 6 deletions.
diff --git a/src/mzmath/MSEngine/IMzQuery.vb b/src/mzmath/MSEngine/IMzQuery.vb
@@ -87,7 +87,8 @@ Public Module MetalIons
         "Ho", "W", "Ga", "Br", "Y", "U",
         "Ti", "Th", "Ta", "Rh", "Pu", "Pt",
         "Po", "Pd", "Os", "Nb", "K", "Hf",
-        "Bi", "Ge", "Cl", "Ac", "B"
+        "Bi", "Ge", "Cl", "Ac", "B", "Sc",
+        "Np", "Ra", "F"
     } _
     .Distinct _
     .ToArray

diff --git a/src/mzmath/TargetedMetabolomics/GCMS/QuantifyAnalysis/SIMMode.vb b/src/mzmath/TargetedMetabolomics/GCMS/QuantifyAnalysis/SIMMode.vb
@@ -99,7 +99,7 @@ Namespace GCMS.QuantifyAnalysis
             Dim i As i32 = 1
             Dim TIC = data.GetTIC
             Dim ROIlist As ROI() = TIC.Shadows _
-                .PopulateROI({0, 1000}, angleThreshold:=angle, baselineQuantile:=baselineQuantile, snThreshold:=sn_threshold) _
+                .PopulateROI(New Double() {0, 1000}, angleThreshold:=angle, baselineQuantile:=baselineQuantile, snThreshold:=sn_threshold) _
                 .ToArray
             Dim resultTable As ROITable
 

diff --git a/src/mzmath/TargetedMetabolomics/MRM/Data/IonChromatogram.vb b/src/mzmath/TargetedMetabolomics/MRM/Data/IonChromatogram.vb
@@ -79,7 +79,7 @@ Namespace MRM.Data
         <DebuggerStepThrough>
         Public Function GetTimeWindow(winsize As Double) As DoubleRange
             If hasRTwin Then
-                Return {
+                Return New Double() {
                     ion.target.rt - winsize,
                     ion.target.rt + winsize
                 }

diff --git a/src/mzmath/TargetedMetabolomics/MRM/QuantitativeAnalysis/MRMArguments.vb b/src/mzmath/TargetedMetabolomics/MRM/QuantitativeAnalysis/MRMArguments.vb
@@ -122,7 +122,7 @@ Namespace MRM
                 baselineQuantile:=0.65,
                 integratorTicks:=5000,
                 peakAreaMethod:=PeakAreaMethods.NetPeakSum,
-                peakwidth:={8, 30},
+                peakwidth:=New Double() {8, 30},
                 sn_threshold:=3
             )
         End Function

diff --git a/src/visualize/plot/ChromatogramPlot/TICplot.vb b/src/visualize/plot/ChromatogramPlot/TICplot.vb
@@ -235,7 +235,7 @@ Public Class TICplot : Inherits Plot
 
             If theme.drawLabels Then
                 Dim data As New MzGroup With {.mz = 0, .XIC = chromatogram}
-                Dim peaks = data.GetPeakGroups({5, 60}).ToArray
+                Dim peaks = data.GetPeakGroups(New Double() {5, 60}).ToArray
 
                 peakTimes += From ROI As PeakFeature
                              In peaks

diff --git a/src/visualize/plot/MassSpectraMirrorPlot.vb b/src/visualize/plot/MassSpectraMirrorPlot.vb
@@ -148,7 +148,7 @@ Public Module MassSpectra
             queryName:=query.name,
             subjectName:=ref.name,
             xrange:=mzRange,
-            yrange:={0, 100},
+            yrange:=New Double() {0, 100},
             size:=size, padding:=margin,
             xlab:=xlab,
             ylab:=ylab,