QUEST quantitation of a spectrum with noise

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This topic contains 1 reply, has 2 voices, and was last updated by  Jana 2 months ago.

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  • #2054

    Augusto Peterlevitz
    Participant

    Hello everyone!

    I’m trying to solve the following problem:
    I’ve created a basis set of metabolites using NMRSCOPEB, then I’ve created a spectrum with the sum of them and used the QUEST quantitation. It worked fine, but when I add noise with the same spectrum and try to use QUEST with the same metabolites basis, I get the error message “you can not use this Mrui file”. What I’m doing wrong?

    #2061

    Jana
    Moderator

    Make sure that a signal representing noise has the same number of points, same sampling interval and the same transmitter frequency as signals in your basis set.

    To change the sampling interval and the transmitter frequency of the simulated noise load the simulated noise into the 1D mode. In the 1D mode menu select menu item File | Signal Information and enter the desired transmitter frequency and the sampling interval (the same as is in your basis set).

    Hint for version 5.2 and higher: From NMRScopeB you can save simulated metabolites directly into a metabolites list (.ml file) and thus you do not have to create a basis set (metabolites list) from individual metabolites in QUEST (instead you can directly load your simulated .ml file as a basis set).
    Metabolites list (.ml file) can be also loaded into 1D mode where you can see and manipulate all simulated metabolites (e.g. to sum them etc.).

    Jana

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