Exploring limits of [1-13C]Pyruvate Nuclear Spin Relaxation: Impact of Field, Deuteration, Degassing, and Additives

This data corresponds to the following paper: Title: Exploring limits of [1-13C]Pyruvate Nuclear Spin Relaxation: Impact of Field, Deuteration, Degassing, and AdditivesJournal: NaN DOI: NaNAuthors: Josh P. Peters, Jan-Bernd Hövener, Andrey N. Pravdivtsev This deposit contains the complete experimental dataset underlying the manuscript: 35 [1-13C]pyruvate sample compositions, each measured by magnetic field cycling at 20–39 magnetic fields between 7.8 µT and 9.4 T. all_samples.xlsx — one sheet, one row per sample. Gives the sample identifier used in the manuscript (S1–S35), the internal measurement ID, the figure panels in which the sample appears, pH, H2O/D2O ratio, sample volume, pyruvate concentration, trityl concentration, up to five additives with their concentrations, and whether the sample was heated in the dissolution module or degassed. The final columns give T1 and its standard deviation averaged over each of three field ranges: low field (7.8 µT – 8 mT), intermediate field (0.096 – 1.024 T) and high field (9.4 T). all_NMRD_fit.xlsx — 35 sheets, one per sample. Each row is one sampled magnetic field and gives the fitted T1 with its standard deviation, the corresponding relaxation rate R1, the fitted amplitudes (A, y0, A2) with their uncertainties, a flag indicating whether a mono- or biexponential model was used, and the second time constant τ2 where applicable. all_NMRD_kinetics.xlsx — 35 sheets, one per sample. Each column corresponds to one magnetic field (given in the header row); the rows give the integrated 13C signal as a function of the evolution time spent at that field. These are the decay curves from which the fits in all_NMRD_fit.xlsx were obtained. NMR_raw_data — unprocessed Bruker datasets for all magnetic field cycling experiments, as acquired on a 9.4 T wide-bore spectrometer (WB400, Avance NEO) using the field cycling system described in Peters et al., ACS Meas. Sci. Au 2025 (DOI: 10.1021/acsmeasuresciau.5c00131). The subfolders for experiments follow the same naming convention per sample and include T1IR experiments for every probed field, corresponding with the extracted data provided in the excel sheets.