Change interpolation algorithm so that it preserves the integrated area #2
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…k/20210406_AreaPreservingInterpolation
…k/20210406_AreaPreservingInterpolation
…k/20210406_AreaPreservingInterpolation
…k/20210406_AreaPreservingInterpolation
…k/20210406_AreaPreservingInterpolation
… the one in "Skyline\Test" folder.
nickshulman
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Oct 14, 2025
…yline/work/20240816_pythoninstaller_with_virtual_env_support Merge branch 'Skyline/work/20240816_pythoninstaller_with_virtual_env_support' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support Fix test for nodes where Long Paths is not set and alert with appropriate message if insufficient privileges to set it. try #2 Fix hang on simulating Nvidia GPU hardware when not available on computer physically Revert last commit Fix hang on simulating Nvidia GPU hardware when not available on computer physically Move AlphapeptdeepBuildLibraryTest test data to TestPerf. Add answer sheet to AlphapeptdeepBuildLibraryTest test data. Compare answers with allowance for small rounding differences. Merge branch 'Skyline/work/20240816_pythoninstaller_with_virtual_env_support' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support Improve canceling. Should only have to Cancel once to stop. Merge branch 'Skyline/work/20240816_pythoninstaller_with_virtual_env_support' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support Address ReSharper complaints Merge branch 'master' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support Simplify user experience for enabling GPU installation with required elevation. Combine the separate GPU setup steps in one simple batch that can get run if user has permissions. Make Cancellations more robust. Update Test to reflect simpler UI. Simplify Nvidia dialog and give better user directions. Disable "OK" button on Nvidia admin message when not running elevated. Adjust the test to reflect the simpler interface. AlphaPeptDeep test moved to TestPerf and associated bugfixes and simulated modes for Nvidia components dealing with tasks when installing and configuring Python + Nvidia Progress with Testing and Nvidia batch file to set PATH to point to CuDNN Fix issue with canceling long jobs. Move AlphapeptdeepBuildLibraryTest.cs to TestPerf Fix build issues caused by last commit Correct a bug with simulated states move Nvidia installation resource to correct a TC code inspection issue. Merge branch 'master' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support Simplify code. Increase test coverage. Write bat script to install Nvidia libraries and instruct the user and administrator what to do. Installation script to for NVIDIA Libraries Fix bug with Path change not checking if already contains a new target. Fix a merge issue Merge branch 'Skyline/work/20250207_TestingCancellationTokens' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support # Merged Conflicts: # pwiz_tools/Skyline/Model/AlphaPeptDeep/AlphapeptdeepLibraryBuilder.cs # pwiz_tools/Skyline/Model/Lib/Library.cs # pwiz_tools/Skyline/TestFunctional/AlphapeptdeepBuildLibraryTest.cs # pwiz_tools/Skyline/TestUtil/PythonTestUtil.cs Test with and without iRT, summary comments. Merge branch 'master' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240816_pythoninstaller_with_virtual_env_support # Resolved Conflicts: # .gitignore # pwiz_tools/Skyline/SettingsUI/BuildLibraryDlg.resx
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There have been a few cases where Skyline's chromatogram interpolation algorithm produces unexpected results.
Most recently, there was this support request:
https://skyline.ms/announcements/home/support/thread.view?rowId=59209
Here is what the raw chromatogram looks like:
and here is what the current implementation of the interpolation algorithm looks like:
and here is what the interpolated chromatogram looks like with this pull request:
The current interpolation algorithm sometimes produces unexpected results if the interpolated time values happen to fall in strange places in between the existing points.
The new algorithm is guaranteed to preserve the integrated area over all ranges where the y-values of the end points are unchanged.