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More graceful handling of libraries containing nonsensical entries (e.g. water loss on molecule containing no oxygen atoms) #3107
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Commits on Aug 7, 2024
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In ExceptionWeb report https://skyline.ms/announcements/home/issues/e…
…xceptions/thread.view?entityId=14a60bd2-3604-103d-a666-22f53556a042&_anchor=65275 a call to ViewLibraryDlg.AddAllPeptides with an water loss adduct on a molecule with no O in it throws an exception. Instead, let's just skip it and put a warning in the immediate window. (Ideally it wouldn't be in the library in the first place, but we don't have any data on how the library was created)
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Commits on Aug 13, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Commits on Aug 14, 2024
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public class InvalidChemicalModificationException : IOException which is thrown when a loss would remove more atoms than are found in a molecular formula e.g. water loss from C2S5H12 (no oxygen), or label would change more atoms than are in the formula e.g. 3C' on C2S5H12 We now catch this exception in LibraryExplorer and adjust display accordingly
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Merge branch 'Skyline/work/20240807_graceful_handling_adduct_molecule…
…_mismatch' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240807_graceful_handling_adduct_molecule_mismatch
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Commits on Aug 20, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Commits on Sep 4, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Merge branch 'Skyline/work/20240807_graceful_handling_adduct_molecule…
…_mismatch' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240807_graceful_handling_adduct_molecule_mismatch
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Commits on Sep 9, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Commits on Sep 10, 2024
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manual merge of commit 721ae29
* Fix a bug in m/z calculation where the mass of the adduct was not being added to molecules described only as a mass with no chemical formula. (#3151)
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Merge remote-tracking branch 'remotes/origin/master' into Skyline/wor…
…k/20240807_graceful_handling_adduct_molecule_mismatch
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Commits on Sep 11, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Commits on Sep 24, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Commits on Sep 25, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Commits on Sep 30, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Commits on Oct 8, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
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Make the error message more prominent
Show the spectrum even if m/z can't be calculated
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Commits on Oct 17, 2024
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Merge branch 'master' into Skyline/work/20240807_graceful_handling_ad…
…duct_molecule_mismatch
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Merge branch 'Skyline/work/20240807_graceful_handling_adduct_molecule…
…_mismatch' of https://github.com/ProteoWizard/pwiz into Skyline/work/20240807_graceful_handling_adduct_molecule_mismatch
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