NMRScope-B simulated spectrum looks reversed in LCmodel

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This topic contains 2 replies, has 2 voices, and was last updated by  Samuel Holly 8 months ago.

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  • #2140

    Samuel Holly
    Participant

    Hello,

    I’ve been trying to simulate basis spectra for LCmodel using NMRScope-B.

    Everything worked well except for the fact, that when plotted by LCmodel, the spectrum looks reversed, as if it was mirrored along the y-axis.

    Any thoughts on why this happened and how to fix it?

    Many thanks in advance.

    ————————————

    Samuel Holly
    Clinical Research
    Jessenius Diagnostic Centre
    Spitalska 6, Nitra
    Slovakia

    #2152

    Jana
    Moderator

    Dear Samuel,

    How did you convert the jMRUI basis set to the LCmodel format? Obviously, your LCmodel basis set is complex conjugated. To fix it, conjugate the basis set.

    Jana

    #2153

    Samuel Holly
    Participant

    Dear Jana,

    many thanks! It worked perfectly! I am so happy 🙂

    Best regards

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