MassHunter Qual configuration with NIST search

Hello ARaskind ,

If you are referring to running the latest version of MS Search installed with NIST23 then you can check the entries in the win.ini file found in the Windows folder.

This is what determines where Qual will look for the MS Search program.

If you are trying to use NIST23 vs NIST20 in Qual then you will need to specify that in your Qual method.

Thanks! That solves the problem of selecting the correct NIST distribution (we don't have Agilent-formatted .L library, just the regular NIST). But we ran into a different obstacle recently.

We have Qual and NIST installed on the server so that there is enough RAM and CPU to work with large projects, but when another user tried to run the NIST search from inside Qual after I used it, it has thrown an error (see below). For some reason Qual was trying to use the temporary directory in my user account although I was not running Qual at that time and was logged off the server, and we cannot find any way to clear this error.

Server stack trace:

   at System.IO.__Error.WinIOError(Int32 errorCode, String maybeFullPath)

   at System.IO.FileStream.Init(String path, FileMode mode, FileAccess access, Int32 rights, Boolean useRights, FileShare share, Int32 bufferSize, FileOptions options, SECURITY_ATTRIBUTES secAttrs, String msgPath, Boolean bFromProxy, Boolean useLongPath, Boolean checkHost)

   at System.IO.FileStream..ctor(String path, FileMode mode, FileAccess access, FileShare share, Int32 bufferSize, FileOptions options, String msgPath, Boolean bFromProxy, Boolean useLongPath, Boolean checkHost)

   at System.IO.StreamWriter.CreateFile(String path, Boolean append, Boolean checkHost)

   at System.IO.StreamWriter..ctor(String path, Boolean append, Encoding encoding, Int32 bufferSize, Boolean checkHost)

   at System.IO.StreamWriter..ctor(String path, Boolean append)

   at Agilent.MassSpectrometry.DataAnalysis.NistLauncher.Agilent.MassSpectrometry.DataAnalysis.INistLauncher.SendSpectraToNist(ISpectrum[] spectra)

   at Agilent.MassSpectrometry.DataAnalysis.Qualitative.CmdNISTLauncher.DoSpecialized()

   at Agilent.MassSpectrometry.DataAnalysis.Qualitative.QualCommandBase.Do()

--- End of stack trace from previous location where exception was thrown ---

   at System.Runtime.ExceptionServices.ExceptionDispatchInfo.Throw()

   at Agilent.MassSpectrometry.DataAnalysis.Qualitative.QualCommandBase.Do()

   at Agilent.MassSpectrometry.CommandModel.CommandHistory.Invoke(ICommand cmd)

   at System.Runtime.Remoting.Messaging.StackBuilderSink._PrivateProcessMessage(IntPtr md, Object[] args, Object server, Object[]& outArgs)

   at System.Runtime.Remoting.Messaging.StackBuilderSink.AsyncProcessMessage(IMessage msg, IMessageSink replySink)

Exception rethrown at [0]:

   at System.Runtime.Remoting.Proxies.RealProxy.EndInvokeHelper(Message reqMsg, Boolean bProxyCase)

   at System.Runtime.Remoting.Proxies.RemotingProxy.Invoke(Object NotUsed, MessageData& msgData)

   at Agilent.MassSpectrometry.CommandModel.CommandHistory.InvokeCommand.EndInvoke(IAsyncResult result)

   at Agilent.MassSpectrometry.CommandModel.CommandHistory.EndInvoke(IAsyncResult result)

   at Agilent.MassSpectrometry.DataAnalysis.Qualitative.AppManager.EndInvoke(IAsyncResult result)

   at Agilent.MassSpectrometry.CommandModel.CommandBase.EndExecute(IAsyncResult result)

   at Agilent.MassSpectrometry.DataAnalysis.Qualitative.QualForm.OnAsyncCallBack(IAsyncResult asyncResult)

Hello ARaskind ,

This is a common issue in multi-user Qual/NIST environments. Follow the instructions in this post to resolve.

(+) cant send peak to GCMS NIST Library - Forum - Mass Spectrometry Software - Agilent Community

Thanks a lot! All works as expected now.