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11
MS-DIAL / Re: mass slice width - Orbitrap
Last post by eduardo_Sommella -
Hi Hiroshi and Stefano

I am having the same problem reported by Stefano, in LC-q-exactive platform (HILIC chromatography)
Basically I have my compound split over adjacent scans, and thus multiple identification features for a same compound, clearly this is related to the peak width, that moreover, usually in HILIC is wider than RP
How did you solve this situation?
Kind regards
Eduardo
12
MS-DIAL / Re: Can't start a new project
Last post by giannigal -
Hi,
I have the same problem wit MS-Dial, and I installed English language set in windows, but the problem is still here. Could you explain the method with .NET configuration?
Best regards
Gianni
14
MS-DIAL / Using LOWESS normalization for LC data
Last post by JeanFroment -
Hi everyone,

I would like to use QC normalization using the LOWESS option. Unfortunately MS-DIAL crash after I click on "done" in the span option. I am using MS-DIAL 4.24 (also had the same problem with version 4.20), and a LC project (acquisition in SWATH). It seems to be working with a LC project in DDA acquisition.

Also with both LC projects we have trouble changing the Span (it looks like a mild bug is preventing us to write a span of 0.22 for example like the minimum size suggested).

Anything we could do to use QC normalization for a LC project in DIA?

Cheers
Jean
16
MS-DIAL / carnitine annotation
Last post by Ondrej -
Hi,
MS-DIAL 4.24, positive lipidomics workflow.

Oleoylcarnitine (CID 46907933, https://pubchem.ncbi.nlm.nih.gov/compound/46907933) is found as m/z 426.35803.
This should be annotated as [M+H]+, but MS-DIAL shows [M]+ Adduct type, probably because of the SMILES notation(?).
Could this be corrected also for all other carnitines? Thank you.
Ondrej

Alignment IDAverage Rt(min)Average MzMetabolite nameAdduct typePost curation resultFill %MS/MS assignedReference RTReference m/zFormulaOntologyINCHIKEYSMILES
18740.818426.35803CAR 18:1[M]+similar chromatogram in higher mz_20181TRUE3.18426.35779C25H48NO4CARHOAMADDCQBUDDY-KHPPLWFENA-OCCCCCC\C=C/CCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C
19
MS-DIAL / MRMPROBS 2.50 crashes with multiple files and compounds
Last post by Ondrej -
Hello,
I use MRMPROBS 2.50:

1) I need to process 30 abf files using key-index: SCAN. It works with tens of compounds in the library, but it crashes when I use 9700 compounds (log below). Is there a limit I do not know about?

2) When an incorrect library is loaded, and the error message acknowledged, there is an option to load another library. In fact, the original file seems to be still loaded, because I get the original error message although I provided a correct library.

3) Maybe just my problem, but Bitdefender removed all MRMPROBS.exe files from my computer.

Best,
Ondrej

Code: [Select]
Application: MRMPROBS.exe
Framework Version: v4.0.30319
Description: The process was terminated due to an unhandled exception.
Exception Info: System.IO.IOException
   at System.IO.__Error.WinIOError(Int32, System.String)
   at System.IO.FileStream.Init(System.String, System.IO.FileMode, System.IO.FileAccess, Int32, Boolean, System.IO.FileShare, Int32, System.IO.FileOptions, SECURITY_ATTRIBUTES, System.String, Boolean, Boolean, Boolean)
   at System.IO.FileStream..ctor(System.String, System.IO.FileMode, System.IO.FileAccess, System.IO.FileShare, Int32, System.IO.FileOptions, System.String, Boolean, Boolean, Boolean)
   at System.IO.StreamReader..ctor(System.String, System.Text.Encoding, Boolean, Int32, Boolean)
   at System.IO.StreamReader..ctor(System.String)
   at Rfx.Riken.OsakaUniv.NewProjectReferencePropertySettingViewModel.getLibraryProperty(System.String)
   at Rfx.Riken.OsakaUniv.NewProjectReferencePropertySettingViewModel.ReferenceOptionClosing()
   at Rfx.Riken.OsakaUniv.NewProjectReferencePropertySettingViewModel.finishExecuteCommand(System.Object)
   at MS.Internal.Commands.CommandHelpers.CriticalExecuteCommandSource(System.Windows.Input.ICommandSource, Boolean)
   at System.Windows.Controls.Primitives.ButtonBase.OnClick()
   at System.Windows.Controls.Button.OnClick()
   at System.Windows.Controls.Primitives.ButtonBase.OnMouseLeftButtonUp(System.Windows.Input.MouseButtonEventArgs)
   at System.Windows.RoutedEventArgs.InvokeHandler(System.Delegate, System.Object)
   at System.Windows.RoutedEventHandlerInfo.InvokeHandler(System.Object, System.Windows.RoutedEventArgs)
   at System.Windows.EventRoute.InvokeHandlersImpl(System.Object, System.Windows.RoutedEventArgs, Boolean)
   at System.Windows.UIElement.ReRaiseEventAs(System.Windows.DependencyObject, System.Windows.RoutedEventArgs, System.Windows.RoutedEvent)
   at System.Windows.UIElement.OnMouseUpThunk(System.Object, System.Windows.Input.MouseButtonEventArgs)
   at System.Windows.RoutedEventArgs.InvokeHandler(System.Delegate, System.Object)
   at System.Windows.RoutedEventHandlerInfo.InvokeHandler(System.Object, System.Windows.RoutedEventArgs)
   at System.Windows.EventRoute.InvokeHandlersImpl(System.Object, System.Windows.RoutedEventArgs, Boolean)
   at System.Windows.UIElement.RaiseEventImpl(System.Windows.DependencyObject, System.Windows.RoutedEventArgs)
   at System.Windows.UIElement.RaiseTrustedEvent(System.Windows.RoutedEventArgs)
   at System.Windows.Input.InputManager.ProcessStagingArea()
   at System.Windows.Input.InputManager.ProcessInput(System.Windows.Input.InputEventArgs)
   at System.Windows.Input.InputProviderSite.ReportInput(System.Windows.Input.InputReport)
   at System.Windows.Interop.HwndMouseInputProvider.ReportInput(IntPtr, System.Windows.Input.InputMode, Int32, System.Windows.Input.RawMouseActions, Int32, Int32, Int32)
   at System.Windows.Interop.HwndMouseInputProvider.FilterMessage(IntPtr, MS.Internal.Interop.WindowMessage, IntPtr, IntPtr, Boolean ByRef)
   at System.Windows.Interop.HwndSource.InputFilterMessage(IntPtr, Int32, IntPtr, IntPtr, Boolean ByRef)
   at MS.Win32.HwndWrapper.WndProc(IntPtr, Int32, IntPtr, IntPtr, Boolean ByRef)
   at MS.Win32.HwndSubclass.DispatcherCallbackOperation(System.Object)
   at System.Windows.Threading.ExceptionWrapper.InternalRealCall(System.Delegate, System.Object, Int32)
   at System.Windows.Threading.ExceptionWrapper.TryCatchWhen(System.Object, System.Delegate, System.Object, Int32, System.Delegate)
   at System.Windows.Threading.Dispatcher.LegacyInvokeImpl(System.Windows.Threading.DispatcherPriority, System.TimeSpan, System.Delegate, System.Object, Int32)
   at MS.Win32.HwndSubclass.SubclassWndProc(IntPtr, Int32, IntPtr, IntPtr)
   at MS.Win32.UnsafeNativeMethods.DispatchMessage(System.Windows.Interop.MSG ByRef)
   at System.Windows.Threading.Dispatcher.PushFrameImpl(System.Windows.Threading.DispatcherFrame)
   at System.Windows.Window.ShowHelper(System.Object)
   at System.Windows.Window.ShowDialog()
   at Rfx.Riken.OsakaUniv.MainWindow.newProjectMenu_Click(System.Object, System.Windows.RoutedEventArgs)
   at System.Windows.EventRoute.InvokeHandlersImpl(System.Object, System.Windows.RoutedEventArgs, Boolean)
   at System.Windows.UIElement.RaiseEventImpl(System.Windows.DependencyObject, System.Windows.RoutedEventArgs)
   at System.Windows.Controls.MenuItem.InvokeClickAfterRender(System.Object)
   at System.Windows.Threading.ExceptionWrapper.InternalRealCall(System.Delegate, System.Object, Int32)
   at System.Windows.Threading.ExceptionWrapper.TryCatchWhen(System.Object, System.Delegate, System.Object, Int32, System.Delegate)
   at System.Windows.Threading.DispatcherOperation.InvokeImpl()
   at System.Threading.ExecutionContext.RunInternal(System.Threading.ExecutionContext, System.Threading.ContextCallback, System.Object, Boolean)
   at System.Threading.ExecutionContext.Run(System.Threading.ExecutionContext, System.Threading.ContextCallback, System.Object, Boolean)
   at System.Threading.ExecutionContext.Run(System.Threading.ExecutionContext, System.Threading.ContextCallback, System.Object)
   at MS.Internal.CulturePreservingExecutionContext.Run(MS.Internal.CulturePreservingExecutionContext, System.Threading.ContextCallback, System.Object)
   at System.Windows.Threading.DispatcherOperation.Invoke()
   at System.Windows.Threading.Dispatcher.ProcessQueue()
   at System.Windows.Threading.Dispatcher.WndProcHook(IntPtr, Int32, IntPtr, IntPtr, Boolean ByRef)
   at MS.Win32.HwndWrapper.WndProc(IntPtr, Int32, IntPtr, IntPtr, Boolean ByRef)
   at MS.Win32.HwndSubclass.DispatcherCallbackOperation(System.Object)
   at System.Windows.Threading.ExceptionWrapper.InternalRealCall(System.Delegate, System.Object, Int32)
   at System.Windows.Threading.ExceptionWrapper.TryCatchWhen(System.Object, System.Delegate, System.Object, Int32, System.Delegate)
   at System.Windows.Threading.Dispatcher.LegacyInvokeImpl(System.Windows.Threading.DispatcherPriority, System.TimeSpan, System.Delegate, System.Object, Int32)
   at MS.Win32.HwndSubclass.SubclassWndProc(IntPtr, Int32, IntPtr, IntPtr)
   at MS.Win32.UnsafeNativeMethods.DispatchMessage(System.Windows.Interop.MSG ByRef)
   at System.Windows.Threading.Dispatcher.PushFrameImpl(System.Windows.Threading.DispatcherFrame)
   at System.Windows.Application.RunDispatcher(System.Object)
   at System.Windows.Application.RunInternal(System.Windows.Window)
   at Rfx.Riken.OsakaUniv.App.Main()