READ ME File For “DATASET for "Spinor Double-Quantum Excitation in the Solution NMR of Near-Equivalent Spin-1/2 Pairs”

Dataset DOI: https://doi.org/10.5258/SOTON/D3634

ReadMe Author: Urvashi D. Heramun, University of Southampton

This dataset supports the publication:
Urvashi D. Heramun, Mohamed Sabba, Bonifac Legrady, Dolnapa Yamano, Sam Thompson, Giuseppe Pileio, and Malcolm H. Levitt (2026)
Spinor Double-Quantum Excitation in the Solution NMR of Near-Equivalent Spin-1/2 Pairs
The Journal of Chemical Physics

Description:

This dataset accompanies the publication "Spinor Double-Quantum Excitation in the Solution NMR of Near-Equivalent Spin-1/2 Pairs", and contains:

1. "Spinor_DQ_Pulse_Sequences.zip"; which is the set of pulse sequences used to obtain the results in the manuscript, in the form of Bruker Topspin code.

2. "SpinorDQ_TheoryNotebook.nb"; a Mathematica notebook which gives an exposition of the theory, and derivation of theoretical expressions in the paper.

3. "SpinorDQ_DataAndFigures.nb"; a Mathematica notebook which contains the code used to produce figures in the paper that contain simulations, as well as raw experimental data.

The Mathematica notebooks use the SpinDynamica package, which may be downloaded from https://www.spindynamica.soton.ac.uk/ . Version SD3.10.2 is required.

We acknowledge funding from the European Research Council (Grant No. 786707-FunMagResBeacons) and EPSRC-UK (Grant Numbers EP/P030491/1, EP/V047663/1, EP/V055593/1, and EP/V047663/1).

Dataset available under a CC BY 4.0 licence

Publisher: University of Southampton, U.K.

Date: January 2026