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stefanks
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Merge pull request #229 from smith-chem-wisc/StefanBranch
Stefan branch
2 parents 563ed7e + 3d085af commit f0da8a7

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15 files changed

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-118
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15 files changed

+132
-118
lines changed

‎CMD/CMD.csproj‎

Lines changed: 18 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -35,40 +35,40 @@
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<TreatWarningsAsErrors>true</TreatWarningsAsErrors>
3636
</PropertyGroup>
3737
<ItemGroup>
38-
<Reference Include="Chemistry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
39-
<HintPath>..\packages\mzLib.1.0.104\lib\Chemistry.dll</HintPath>
38+
<Reference Include="Chemistry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
39+
<HintPath>..\packages\mzLib.1.0.105\lib\Chemistry.dll</HintPath>
4040
<Private>True</Private>
4141
</Reference>
42-
<Reference Include="MassSpectrometry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
43-
<HintPath>..\packages\mzLib.1.0.104\lib\MassSpectrometry.dll</HintPath>
42+
<Reference Include="MassSpectrometry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
43+
<HintPath>..\packages\mzLib.1.0.105\lib\MassSpectrometry.dll</HintPath>
4444
<Private>True</Private>
4545
</Reference>
4646
<Reference Include="MathNet.Numerics, Version=3.17.0.0, Culture=neutral, processorArchitecture=MSIL">
4747
<HintPath>..\packages\MathNet.Numerics.3.17.0\lib\net40\MathNet.Numerics.dll</HintPath>
4848
<Private>True</Private>
4949
</Reference>
50-
<Reference Include="mzIdentML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
51-
<HintPath>..\packages\mzLib.1.0.104\lib\mzIdentML.dll</HintPath>
50+
<Reference Include="mzIdentML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
51+
<HintPath>..\packages\mzLib.1.0.105\lib\mzIdentML.dll</HintPath>
5252
<Private>True</Private>
5353
</Reference>
54-
<Reference Include="MzLibUtil, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
55-
<HintPath>..\packages\mzLib.1.0.104\lib\MzLibUtil.dll</HintPath>
54+
<Reference Include="MzLibUtil, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
55+
<HintPath>..\packages\mzLib.1.0.105\lib\MzLibUtil.dll</HintPath>
5656
<Private>True</Private>
5757
</Reference>
58-
<Reference Include="MzML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
59-
<HintPath>..\packages\mzLib.1.0.104\lib\MzML.dll</HintPath>
58+
<Reference Include="MzML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
59+
<HintPath>..\packages\mzLib.1.0.105\lib\MzML.dll</HintPath>
6060
<Private>True</Private>
6161
</Reference>
6262
<Reference Include="NetSerializer, Version=4.1.0.0, Culture=neutral, processorArchitecture=MSIL">
6363
<HintPath>..\packages\NetSerializer.4.1.0\lib\net45\NetSerializer.dll</HintPath>
6464
<Private>True</Private>
6565
</Reference>
66-
<Reference Include="Proteomics, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
67-
<HintPath>..\packages\mzLib.1.0.104\lib\Proteomics.dll</HintPath>
66+
<Reference Include="Proteomics, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
67+
<HintPath>..\packages\mzLib.1.0.105\lib\Proteomics.dll</HintPath>
6868
<Private>True</Private>
6969
</Reference>
70-
<Reference Include="Spectra, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
71-
<HintPath>..\packages\mzLib.1.0.104\lib\Spectra.dll</HintPath>
70+
<Reference Include="Spectra, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
71+
<HintPath>..\packages\mzLib.1.0.105\lib\Spectra.dll</HintPath>
7272
<Private>True</Private>
7373
</Reference>
7474
<Reference Include="System" />
@@ -80,12 +80,12 @@
8080
<Reference Include="System.Data" />
8181
<Reference Include="System.Net.Http" />
8282
<Reference Include="System.Xml" />
83-
<Reference Include="Thermo, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
84-
<HintPath>..\packages\mzLib.1.0.104\lib\Thermo.dll</HintPath>
83+
<Reference Include="Thermo, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
84+
<HintPath>..\packages\mzLib.1.0.105\lib\Thermo.dll</HintPath>
8585
<Private>True</Private>
8686
</Reference>
87-
<Reference Include="UsefulProteomicsDatabases, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
88-
<HintPath>..\packages\mzLib.1.0.104\lib\UsefulProteomicsDatabases.dll</HintPath>
87+
<Reference Include="UsefulProteomicsDatabases, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
88+
<HintPath>..\packages\mzLib.1.0.105\lib\UsefulProteomicsDatabases.dll</HintPath>
8989
<Private>True</Private>
9090
</Reference>
9191
<Reference Include="Zlib.Portable, Version=1.11.0.0, Culture=neutral, processorArchitecture=MSIL">

‎CMD/packages.config‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
11
<?xml version="1.0" encoding="utf-8"?>
22
<packages>
33
<package id="MathNet.Numerics" version="3.17.0" targetFramework="net451" />
4-
<package id="mzLib" version="1.0.104" targetFramework="net451" />
4+
<package id="mzLib" version="1.0.105" targetFramework="net451" />
55
<package id="NetSerializer" version="4.1.0" targetFramework="net451" />
66
<package id="Zlib.Portable" version="1.11.0" targetFramework="net451" />
77
</packages>

‎EngineLayer/CalibrationEngine/CalibrationEngine.cs‎

Lines changed: 0 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -337,14 +337,10 @@ private void CalibrateSpectra(Tuple<CalibrationFunction, CalibrationFunction> be
337337
{
338338
var precursorScan = myMsDataFile.GetOneBasedScan(theScan.OneBasedPrecursorScanNumber);
339339

340-
if (!theScan.SelectedIonGuessMZ.HasValue || !theScan.SelectedIonGuessIntensity.HasValue)
341-
theScan.RecomputeSelectedPeak(precursorScan.MassSpectrum);
342340
double precursorMZ = theScan.SelectedIonGuessMZ.Value;
343341
double precursorIntensity = theScan.SelectedIonGuessIntensity.Value;
344342
double newSelectedMZ = precursorMZ - bestCf.Item1.Predict(new double[] { precursorMZ, precursorScan.RetentionTime, precursorIntensity, precursorScan.TotalIonCurrent, precursorScan.InjectionTime.Value });
345343

346-
if (!theScan.SelectedIonGuessMonoisotopicMZ.HasValue || !theScan.SelectedIonGuessMonoisotopicIntensity.HasValue)
347-
theScan.RecomputeMonoisotopicPeak(precursorScan.MassSpectrum, 0.01, 0.3);
348344
double monoisotopicMZ = theScan.SelectedIonGuessMonoisotopicMZ.Value;
349345
double monoisotopicIntensity = theScan.SelectedIonGuessMonoisotopicIntensity.Value;
350346

‎EngineLayer/EngineLayer.csproj‎

Lines changed: 18 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -34,36 +34,36 @@
3434
<TreatWarningsAsErrors>true</TreatWarningsAsErrors>
3535
</PropertyGroup>
3636
<ItemGroup>
37-
<Reference Include="Chemistry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
38-
<HintPath>..\packages\mzLib.1.0.104\lib\Chemistry.dll</HintPath>
37+
<Reference Include="Chemistry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
38+
<HintPath>..\packages\mzLib.1.0.105\lib\Chemistry.dll</HintPath>
3939
<Private>True</Private>
4040
</Reference>
41-
<Reference Include="MassSpectrometry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
42-
<HintPath>..\packages\mzLib.1.0.104\lib\MassSpectrometry.dll</HintPath>
41+
<Reference Include="MassSpectrometry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
42+
<HintPath>..\packages\mzLib.1.0.105\lib\MassSpectrometry.dll</HintPath>
4343
<Private>True</Private>
4444
</Reference>
4545
<Reference Include="MathNet.Numerics, Version=3.17.0.0, Culture=neutral, processorArchitecture=MSIL">
4646
<HintPath>..\packages\MathNet.Numerics.3.17.0\lib\net40\MathNet.Numerics.dll</HintPath>
4747
<Private>True</Private>
4848
</Reference>
49-
<Reference Include="mzIdentML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
50-
<HintPath>..\packages\mzLib.1.0.104\lib\mzIdentML.dll</HintPath>
49+
<Reference Include="mzIdentML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
50+
<HintPath>..\packages\mzLib.1.0.105\lib\mzIdentML.dll</HintPath>
5151
<Private>True</Private>
5252
</Reference>
53-
<Reference Include="MzLibUtil, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
54-
<HintPath>..\packages\mzLib.1.0.104\lib\MzLibUtil.dll</HintPath>
53+
<Reference Include="MzLibUtil, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
54+
<HintPath>..\packages\mzLib.1.0.105\lib\MzLibUtil.dll</HintPath>
5555
<Private>True</Private>
5656
</Reference>
57-
<Reference Include="MzML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
58-
<HintPath>..\packages\mzLib.1.0.104\lib\MzML.dll</HintPath>
57+
<Reference Include="MzML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
58+
<HintPath>..\packages\mzLib.1.0.105\lib\MzML.dll</HintPath>
5959
<Private>True</Private>
6060
</Reference>
61-
<Reference Include="Proteomics, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
62-
<HintPath>..\packages\mzLib.1.0.104\lib\Proteomics.dll</HintPath>
61+
<Reference Include="Proteomics, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
62+
<HintPath>..\packages\mzLib.1.0.105\lib\Proteomics.dll</HintPath>
6363
<Private>True</Private>
6464
</Reference>
65-
<Reference Include="Spectra, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
66-
<HintPath>..\packages\mzLib.1.0.104\lib\Spectra.dll</HintPath>
65+
<Reference Include="Spectra, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
66+
<HintPath>..\packages\mzLib.1.0.105\lib\Spectra.dll</HintPath>
6767
<Private>True</Private>
6868
</Reference>
6969
<Reference Include="System" />
@@ -74,12 +74,12 @@
7474
<Reference Include="System.Data" />
7575
<Reference Include="System.Net.Http" />
7676
<Reference Include="System.Xml" />
77-
<Reference Include="Thermo, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
78-
<HintPath>..\packages\mzLib.1.0.104\lib\Thermo.dll</HintPath>
77+
<Reference Include="Thermo, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
78+
<HintPath>..\packages\mzLib.1.0.105\lib\Thermo.dll</HintPath>
7979
<Private>True</Private>
8080
</Reference>
81-
<Reference Include="UsefulProteomicsDatabases, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
82-
<HintPath>..\packages\mzLib.1.0.104\lib\UsefulProteomicsDatabases.dll</HintPath>
81+
<Reference Include="UsefulProteomicsDatabases, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
82+
<HintPath>..\packages\mzLib.1.0.105\lib\UsefulProteomicsDatabases.dll</HintPath>
8383
<Private>True</Private>
8484
</Reference>
8585
<Reference Include="Zlib.Portable, Version=1.11.0.0, Culture=neutral, processorArchitecture=MSIL">

‎EngineLayer/MyEngine.cs‎

Lines changed: 12 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -77,11 +77,20 @@ public static IEnumerable<LocalMS2Scan> GetMs2Scans(IMsDataFile<IMsDataScan<IMzS
7777
{
7878
var precursorSpectrum = myMSDataFile.GetOneBasedScan(ms2scan.OneBasedPrecursorScanNumber);
7979
if (!ms2scan.SelectedIonGuessChargeStateGuess.HasValue)
80-
ms2scan.RecomputeChargeState(precursorSpectrum.MassSpectrum, 0.01, 4);
81-
if (!ms2scan.SelectedIonGuessIntensity.HasValue || !ms2scan.SelectedIonGuessMZ.HasValue)
80+
ms2scan.RecomputeChargeState(precursorSpectrum.MassSpectrum, 0.01, 10);
81+
82+
if (!ms2scan.SelectedIonGuessIntensity.HasValue && !ms2scan.SelectedIonGuessMZ.HasValue)
8283
ms2scan.RecomputeSelectedPeak(precursorSpectrum.MassSpectrum);
83-
if (!ms2scan.SelectedIonGuessMonoisotopicIntensity.HasValue || !ms2scan.SelectedIonGuessMonoisotopicMZ.HasValue)
84+
85+
if (!ms2scan.SelectedIonGuessIntensity.HasValue)
86+
ms2scan.ComputeSelectedPeakIntensity(precursorSpectrum.MassSpectrum);
87+
88+
if (!ms2scan.SelectedIonGuessMonoisotopicIntensity.HasValue && !ms2scan.SelectedIonGuessMonoisotopicMZ.HasValue)
8489
ms2scan.RecomputeMonoisotopicPeak(precursorSpectrum.MassSpectrum, 0.01, 0.3);
90+
91+
if (!ms2scan.SelectedIonGuessMonoisotopicIntensity.HasValue)
92+
ms2scan.ComputeMonoisotopicPeakIntensity(precursorSpectrum.MassSpectrum);
93+
8594
yield return new LocalMS2Scan(ms2scan);
8695
}
8796
}

‎EngineLayer/packages.config‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
<?xml version="1.0" encoding="utf-8"?>
22
<packages>
33
<package id="MathNet.Numerics" version="3.17.0" targetFramework="net451" />
4-
<package id="mzLib" version="1.0.104" targetFramework="net451" />
4+
<package id="mzLib" version="1.0.105" targetFramework="net451" />
55
<package id="Zlib.Portable" version="1.11.0" targetFramework="net451" />
66
</packages>

‎GUI/GUI.csproj‎

Lines changed: 18 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -37,36 +37,36 @@
3737
<TreatWarningsAsErrors>true</TreatWarningsAsErrors>
3838
</PropertyGroup>
3939
<ItemGroup>
40-
<Reference Include="Chemistry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
41-
<HintPath>..\packages\mzLib.1.0.104\lib\Chemistry.dll</HintPath>
40+
<Reference Include="Chemistry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
41+
<HintPath>..\packages\mzLib.1.0.105\lib\Chemistry.dll</HintPath>
4242
<Private>True</Private>
4343
</Reference>
44-
<Reference Include="MassSpectrometry, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
45-
<HintPath>..\packages\mzLib.1.0.104\lib\MassSpectrometry.dll</HintPath>
44+
<Reference Include="MassSpectrometry, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
45+
<HintPath>..\packages\mzLib.1.0.105\lib\MassSpectrometry.dll</HintPath>
4646
<Private>True</Private>
4747
</Reference>
4848
<Reference Include="MathNet.Numerics, Version=3.17.0.0, Culture=neutral, processorArchitecture=MSIL">
4949
<HintPath>..\packages\MathNet.Numerics.3.17.0\lib\net40\MathNet.Numerics.dll</HintPath>
5050
<Private>True</Private>
5151
</Reference>
52-
<Reference Include="mzIdentML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
53-
<HintPath>..\packages\mzLib.1.0.104\lib\mzIdentML.dll</HintPath>
52+
<Reference Include="mzIdentML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
53+
<HintPath>..\packages\mzLib.1.0.105\lib\mzIdentML.dll</HintPath>
5454
<Private>True</Private>
5555
</Reference>
56-
<Reference Include="MzLibUtil, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
57-
<HintPath>..\packages\mzLib.1.0.104\lib\MzLibUtil.dll</HintPath>
56+
<Reference Include="MzLibUtil, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
57+
<HintPath>..\packages\mzLib.1.0.105\lib\MzLibUtil.dll</HintPath>
5858
<Private>True</Private>
5959
</Reference>
60-
<Reference Include="MzML, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
61-
<HintPath>..\packages\mzLib.1.0.104\lib\MzML.dll</HintPath>
60+
<Reference Include="MzML, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
61+
<HintPath>..\packages\mzLib.1.0.105\lib\MzML.dll</HintPath>
6262
<Private>True</Private>
6363
</Reference>
64-
<Reference Include="Proteomics, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
65-
<HintPath>..\packages\mzLib.1.0.104\lib\Proteomics.dll</HintPath>
64+
<Reference Include="Proteomics, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
65+
<HintPath>..\packages\mzLib.1.0.105\lib\Proteomics.dll</HintPath>
6666
<Private>True</Private>
6767
</Reference>
68-
<Reference Include="Spectra, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
69-
<HintPath>..\packages\mzLib.1.0.104\lib\Spectra.dll</HintPath>
68+
<Reference Include="Spectra, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
69+
<HintPath>..\packages\mzLib.1.0.105\lib\Spectra.dll</HintPath>
7070
<Private>True</Private>
7171
</Reference>
7272
<Reference Include="System" />
@@ -81,12 +81,12 @@
8181
<Reference Include="System.Xaml">
8282
<RequiredTargetFramework>4.0</RequiredTargetFramework>
8383
</Reference>
84-
<Reference Include="Thermo, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
85-
<HintPath>..\packages\mzLib.1.0.104\lib\Thermo.dll</HintPath>
84+
<Reference Include="Thermo, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
85+
<HintPath>..\packages\mzLib.1.0.105\lib\Thermo.dll</HintPath>
8686
<Private>True</Private>
8787
</Reference>
88-
<Reference Include="UsefulProteomicsDatabases, Version=1.0.104.0, Culture=neutral, processorArchitecture=AMD64">
89-
<HintPath>..\packages\mzLib.1.0.104\lib\UsefulProteomicsDatabases.dll</HintPath>
88+
<Reference Include="UsefulProteomicsDatabases, Version=1.0.105.0, Culture=neutral, processorArchitecture=AMD64">
89+
<HintPath>..\packages\mzLib.1.0.105\lib\UsefulProteomicsDatabases.dll</HintPath>
9090
<Private>True</Private>
9191
</Reference>
9292
<Reference Include="WindowsBase" />

‎GUI/packages.config‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,6 +1,6 @@
11
<?xml version="1.0" encoding="utf-8"?>
22
<packages>
33
<package id="MathNet.Numerics" version="3.17.0" targetFramework="net451" />
4-
<package id="mzLib" version="1.0.104" targetFramework="net451" />
4+
<package id="mzLib" version="1.0.105" targetFramework="net451" />
55
<package id="Zlib.Portable" version="1.11.0" targetFramework="net451" />
66
</packages>

‎TaskLayer/CalibrationTask/CalibrationTask.cs‎

Lines changed: 1 addition & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -189,15 +189,6 @@ protected override MyResults RunSpecific()
189189
var identifications = analysisResults.AllResultingIdentifications[0];
190190

191191
//Now can calibrate!!!
192-
IMsDataFile<IMsDataScan<IMzSpectrum<IMzPeak>>> myMsDataFileForCalibration;
193-
if (Path.GetExtension(origDataFileName).Equals(".mzML"))
194-
{
195-
myMsDataFileForCalibration = Mzml.LoadAllStaticData(origDataFileName);
196-
}
197-
else
198-
{
199-
myMsDataFileForCalibration = ThermoStaticData.LoadAllStaticData(origDataFileName);
200-
}
201192
int randomSeed = 1;
202193

203194
int minMS1isotopicPeaksNeededForConfirmedIdentification = 3;
@@ -206,7 +197,7 @@ protected override MyResults RunSpecific()
206197

207198
// TODO: fix the tolerance calculation below
208199

209-
var a = new CalibrationEngine(myMsDataFileForCalibration, randomSeed, ProductMassTolerance, identifications, minMS1isotopicPeaksNeededForConfirmedIdentification, minMS2isotopicPeaksNeededForConfirmedIdentification, numFragmentsNeededForEveryIdentification, PrecursorMassTolerance, fragmentTypesForCalibration, (List<LabeledMs1DataPoint> theList, string s) => WriteMs1DataPoints(theList, OutputFolder, Path.GetFileNameWithoutExtension(origDataFileName) + s), (List<LabeledMs2DataPoint> theList, string s) => WriteMs2DataPoints(theList, OutputFolder, Path.GetFileNameWithoutExtension(origDataFileName) + s));
200+
var a = new CalibrationEngine(myMsDataFile, randomSeed, ProductMassTolerance, identifications, minMS1isotopicPeaksNeededForConfirmedIdentification, minMS2isotopicPeaksNeededForConfirmedIdentification, numFragmentsNeededForEveryIdentification, PrecursorMassTolerance, fragmentTypesForCalibration, (List<LabeledMs1DataPoint> theList, string s) => WriteMs1DataPoints(theList, OutputFolder, Path.GetFileNameWithoutExtension(origDataFileName) + s), (List<LabeledMs2DataPoint> theList, string s) => WriteMs2DataPoints(theList, OutputFolder, Path.GetFileNameWithoutExtension(origDataFileName) + s));
210201

211202
var result = a.Run();
212203
myTaskResults.AddResultText(result);

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