Multiwfn forum

lc-chemist

Member

Registered: 2026-02-22

Posts: 1

Plot the H_NMR spectrum from a .txt file (I have difficulties)

I am working with the graphical function offered by MULTIWFN software. I can obtain the PNG or PDF image without any problem, but I need a file to import into Origin or LibreOffice Calc. The software generates three files: NMRdata, NMRcurve, and NMRline. I tried importing each of them, but none produce a plot.
Also I have another doubt. The manual says: 10 Average shielding values of specific atoms: For example, usually the of the hydrogens in the same methyl group should be averaged, you can use this function to realize this purpose.
So, I must assign the equivalent protons manually? 

Can you help me? Kind regards from Brazil.

Last edited by lc-chemist (2026-02-22 21:47:16)

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,198

Website

Re: Plot the H_NMR spectrum from a .txt file (I have difficulties)

Hello,

Multiwfn can export NMR curve data as NMR_curve.txt, which is a two-column text X-Y file, you can directly import it into e.g. Origin, or directly using gnuplot/qtgrace to plot it as a curve map.

Yes.