NMRScope-B simulated spectrum looks reversed in LCmodel

[Samuel Holly]

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.

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

[Jana]

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

[Samuel Holly]

Dear Jana,

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

Best regards

[Author]

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