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Merge pull request #9 from rmillikin/master
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mzlib changes
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rmillikin authored Jul 19, 2017
2 parents 938fe0f + c83a079 commit 774e2c5
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48 changes: 24 additions & 24 deletions FlashLFQ Executable/FlashLFQ Executable.csproj
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Expand Up @@ -53,32 +53,32 @@
<StartupObject>FlashLFQExecutable.FlashLFQExecutable</StartupObject>
</PropertyGroup>
<ItemGroup>
<Reference Include="Chemistry, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\Chemistry.dll</HintPath>
<Reference Include="Chemistry, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Chemistry.dll</HintPath>
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<Reference Include="ManagedThermoHelperLayer, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\ManagedThermoHelperLayer.dll</HintPath>
<Reference Include="ManagedThermoHelperLayer, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\ManagedThermoHelperLayer.dll</HintPath>
</Reference>
<Reference Include="MassSpectrometry, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\MassSpectrometry.dll</HintPath>
<Reference Include="MassSpectrometry, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\MassSpectrometry.dll</HintPath>
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<Reference Include="MathNet.Numerics, Version=3.17.0.0, Culture=neutral, processorArchitecture=MSIL">
<HintPath>..\packages\MathNet.Numerics.3.17.0\lib\net40\MathNet.Numerics.dll</HintPath>
<Reference Include="MathNet.Numerics, Version=3.20.0.0, Culture=neutral, processorArchitecture=MSIL">
<HintPath>..\packages\MathNet.Numerics.3.20.0\lib\net40\MathNet.Numerics.dll</HintPath>
</Reference>
<Reference Include="mzIdentML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\mzIdentML.dll</HintPath>
<Reference Include="mzIdentML, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\mzIdentML.dll</HintPath>
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<Reference Include="MzLibUtil, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
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<HintPath>..\packages\mzLib.1.0.195\lib\MzLibUtil.dll</HintPath>
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<Reference Include="MzML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
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<HintPath>..\packages\mzLib.1.0.195\lib\Proteomics.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.195\lib\Spectra.dll</HintPath>
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<Reference Include="System" />
<Reference Include="System.Core" />
Expand All @@ -88,11 +88,11 @@
<Reference Include="System.Data" />
<Reference Include="System.Net.Http" />
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Expand Down Expand Up @@ -120,11 +120,11 @@
</ProjectReference>
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<Import Project="$(MSBuildToolsPath)\Microsoft.CSharp.targets" />
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4 changes: 2 additions & 2 deletions FlashLFQ Executable/packages.config
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
<?xml version="1.0" encoding="utf-8"?>
<packages>
<package id="MathNet.Numerics" version="3.17.0" targetFramework="net451" />
<package id="mzLib" version="1.0.194" targetFramework="net451" />
<package id="MathNet.Numerics" version="3.20.0" targetFramework="net451" />
<package id="mzLib" version="1.0.195" targetFramework="net451" />
<package id="Zlib.Portable" version="1.11.0" targetFramework="net451" />
</packages>
48 changes: 24 additions & 24 deletions FlashLFQ/FlashLFQ.csproj
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Expand Up @@ -54,32 +54,32 @@
</StartupObject>
</PropertyGroup>
<ItemGroup>
<Reference Include="Chemistry, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\Chemistry.dll</HintPath>
<Reference Include="Chemistry, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Chemistry.dll</HintPath>
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<Reference Include="ManagedThermoHelperLayer, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\ManagedThermoHelperLayer.dll</HintPath>
<Reference Include="ManagedThermoHelperLayer, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\ManagedThermoHelperLayer.dll</HintPath>
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<Reference Include="mzIdentML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
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<Reference Include="mzIdentML, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\mzIdentML.dll</HintPath>
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<Reference Include="MzLibUtil, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\MzLibUtil.dll</HintPath>
<Reference Include="MzLibUtil, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\MzLibUtil.dll</HintPath>
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<Reference Include="MzML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\MzML.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.195\lib\MzML.dll</HintPath>
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<Reference Include="Proteomics, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Proteomics.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.194\lib\Spectra.dll</HintPath>
<Reference Include="Spectra, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Spectra.dll</HintPath>
</Reference>
<Reference Include="System" />
<Reference Include="System.Core" />
Expand All @@ -89,11 +89,11 @@
<Reference Include="System.Data" />
<Reference Include="System.Net.Http" />
<Reference Include="System.Xml" />
<Reference Include="Thermo, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\Thermo.dll</HintPath>
<Reference Include="Thermo, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Thermo.dll</HintPath>
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<Reference Include="UsefulProteomicsDatabases, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
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<Reference Include="UsefulProteomicsDatabases, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\UsefulProteomicsDatabases.dll</HintPath>
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<Reference Include="Zlib.Portable, Version=1.11.0.0, Culture=neutral, processorArchitecture=MSIL">
<HintPath>..\packages\Zlib.Portable.1.11.0\lib\portable-net4+sl5+wp8+win8+wpa81+MonoTouch+MonoAndroid\Zlib.Portable.dll</HintPath>
Expand Down Expand Up @@ -124,11 +124,11 @@
</BootstrapperPackage>
</ItemGroup>
<Import Project="$(MSBuildToolsPath)\Microsoft.CSharp.targets" />
<Import Project="..\packages\mzLib.1.0.194\build\mzLib.targets" Condition="Exists('..\packages\mzLib.1.0.194\build\mzLib.targets')" />
<Import Project="..\packages\mzLib.1.0.195\build\mzLib.targets" Condition="Exists('..\packages\mzLib.1.0.195\build\mzLib.targets')" />
<Target Name="EnsureNuGetPackageBuildImports" BeforeTargets="PrepareForBuild">
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<ErrorText>This project references NuGet package(s) that are missing on this computer. Use NuGet Package Restore to download them. For more information, see http://go.microsoft.com/fwlink/?LinkID=322105. The missing file is {0}.</ErrorText>
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<Error Condition="!Exists('..\packages\mzLib.1.0.194\build\mzLib.targets')" Text="$([System.String]::Format('$(ErrorText)', '..\packages\mzLib.1.0.194\build\mzLib.targets'))" />
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4 changes: 2 additions & 2 deletions FlashLFQ/FlashLfqEngine.cs
Original file line number Diff line number Diff line change
Expand Up @@ -961,8 +961,8 @@ private List<KeyValuePair<int, double>> FillBinsWithPeaks(Dictionary<double, Lis
for(int j = 0; j < allMs1Scans[i].MassSpectrum.XArray.Length; j++)
{
FlashLFQMzBinElement element = null;
double floorMz = (Math.Floor(allMs1Scans[i].MassSpectrum[j].Mz * 100) / 100);
double ceilingMz = (Math.Ceiling(allMs1Scans[i].MassSpectrum[j].Mz * 100) / 100);
double floorMz = (Math.Floor(allMs1Scans[i].MassSpectrum.XArray[j] * 100) / 100);
double ceilingMz = (Math.Ceiling(allMs1Scans[i].MassSpectrum.XArray[j] * 100) / 100);

if (mzBins.ContainsKey(floorMz))
{
Expand Down
4 changes: 2 additions & 2 deletions FlashLFQ/packages.config
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
<?xml version="1.0" encoding="utf-8"?>
<packages>
<package id="MathNet.Numerics" version="3.17.0" targetFramework="net452" />
<package id="mzLib" version="1.0.194" targetFramework="net451" />
<package id="MathNet.Numerics" version="3.20.0" targetFramework="net451" />
<package id="mzLib" version="1.0.195" targetFramework="net451" />
<package id="Zlib.Portable" version="1.11.0" targetFramework="net452" />
</packages>
48 changes: 24 additions & 24 deletions Test/Test.csproj
Original file line number Diff line number Diff line change
Expand Up @@ -53,35 +53,35 @@
<StartupObject />
</PropertyGroup>
<ItemGroup>
<Reference Include="Chemistry, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\Chemistry.dll</HintPath>
<Reference Include="Chemistry, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
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<Reference Include="ManagedThermoHelperLayer, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\ManagedThermoHelperLayer.dll</HintPath>
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<Reference Include="MassSpectrometry, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\MassSpectrometry.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.195\lib\MassSpectrometry.dll</HintPath>
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<Reference Include="MathNet.Numerics, Version=3.17.0.0, Culture=neutral, processorArchitecture=MSIL">
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<Reference Include="MathNet.Numerics, Version=3.20.0.0, Culture=neutral, processorArchitecture=MSIL">
<HintPath>..\packages\MathNet.Numerics.3.20.0\lib\net40\MathNet.Numerics.dll</HintPath>
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<Reference Include="mzIdentML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\mzIdentML.dll</HintPath>
<Reference Include="mzIdentML, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
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<Reference Include="MzLibUtil, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\MzLibUtil.dll</HintPath>
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<Reference Include="MzML, Version=1.0.194.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.194\lib\MzML.dll</HintPath>
<Reference Include="MzML, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\MzML.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.194\lib\Proteomics.dll</HintPath>
<Reference Include="Proteomics, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\Proteomics.dll</HintPath>
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<HintPath>..\packages\mzLib.1.0.195\lib\Spectra.dll</HintPath>
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<Reference Include="System" />
<Reference Include="System.Core" />
Expand All @@ -91,11 +91,11 @@
<Reference Include="System.Data" />
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<Reference Include="UsefulProteomicsDatabases, Version=1.0.195.0, Culture=neutral, processorArchitecture=AMD64">
<HintPath>..\packages\mzLib.1.0.195\lib\UsefulProteomicsDatabases.dll</HintPath>
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<Reference Include="Zlib.Portable, Version=1.11.0.0, Culture=neutral, processorArchitecture=MSIL">
<HintPath>..\packages\Zlib.Portable.1.11.0\lib\portable-net4+sl5+wp8+win8+wpa81+MonoTouch+MonoAndroid\Zlib.Portable.dll</HintPath>
Expand Down Expand Up @@ -145,11 +145,11 @@
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<Import Project="$(MSBuildToolsPath)\Microsoft.CSharp.targets" />
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<ErrorText>This project references NuGet package(s) that are missing on this computer. Use NuGet Package Restore to download them. For more information, see http://go.microsoft.com/fwlink/?LinkID=322105. The missing file is {0}.</ErrorText>
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