遇见数据集

Barriers to Resolution in 1H NMR of Rotating Solids

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Zenodo2023-09-25 更新2026-05-26 收录
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<strong>The NMR raw data is in both jcamp and topspin format. The data folders are separated according to the samples.</strong> For the 2MeIm (2-methylimidazole) spectra: - dilution and deuteration tests with 1D, CP, HETCOR and DQ/SQ For the HMB (hexamethylbenzene) spectra: - dilution tests with 1D, CP, HETCOR and DQ/SQ - variable MAS dataset for 1D, T2' and DQ/SQ For the ZIF-8 (zeolitic imidazolate framework) spectra: - dilution tests with 1D, CP, HETCOR and DQ/SQ - variable MAS dataset for T2' (the variable 1D spectra correspond to the first increment of the T2' experiment) and DQ/SQ For the L-Tyrosine.HCl spectra: - variable MAS dataset for 1D, T2' and DQ/SQ For the PS (polystyrene) spectra: - variable MAS dataset for 1D, T2' and DQ/SQ <strong>Matlab scripts:</strong> - rmseval_conv_1pe (peak fitting script to a voigt function type) - rmseval_gls_1pe (peak fitting script to a GLS function type) - conv_2d_simu_clean_2023 (simulation of 2D peaks with Gaussian, Tilted Gaussian and Lorentzian shapes) - fitting_hmb_antidiag_scaled_2023 (example with HMB data to extract the antidiagonal from a DQ/SQ spectrum and fit to GLS or Voigt)

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Zenodo
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2023-09-25
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