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Simulated and Experimental Magnetic Resonance Data of Fentanyl HCl

<p><span>This data consists of simulations and experimental measurements of solid-state nuclear magnetic resonance (SSNMR) spectroscopy, fast-field cycling (FFC) NMR spectroscopy, and nuclear quadrupole resonance (NQR) spectroscopy of fentanyl HCl. <sup>14</sup>N and <sup>35</sup>Cl SSNMR data are included as the topspin binary format. <sup>1</sup>H FFC NMR data are included as the sdf format. <sup>14</sup>N NQR data of both NQR spectra are included as the tnt format. Simulated <sup>14</sup>N and <sup>35</sup>Cl SSNMR data from QUEST are included in an exported topspin binary format. Simulated <sup>14</sup>N SSNMR data from SIMPSON is included in the SIMPSON fid format. Simulated Zeeman-perturbed NQR from SPINACH is included as a csv. In all cases post-processed data are also included in the form of csv files for easy viewing by readers. Each csv typically has the first column as a vector of frequencies and the second column as the processed NMR data.</span></p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0