DCG.zip

The NMR file is named “hki75T2-2020” and contains the raw Bruker Topspin dataset for DCG, including the 1D 1H and 13C NMR spectra, as well as the 2D HSQC, HMBC, and COSY spectra; the structure is included with the datasets as well as the parameters for processing. Processed data is not included with the file (to save space) but the full detail saved with the processed spectra can be used to quickly regain the processed data used here in the following way. <br> <strong>1D 1H NMR data</strong> 1. gfp (Resolution-enhancement via Gaussian apodization using the parameters stored followed by Fourier transformation and phase correction using the stored parameters and phases) 2. abs (automated baseline correction) <br> If the non-resolution-enhanced spectrum is required: 1. Set lb to 0.1 (or as desired) 2. efp (exponential multiplication followed by Fourier transform and phase correction) 3. abs (automated baseline correction) <br> <strong>1D 13C NMR data</strong> 1. efp (exponential multiplication followed by Fourier transform and phase correction using the stored parameters). [LB is set to 0.1 Hz for resolution of stereoisomer peaks; LB can be set to 1 Hz if such resolution is not required] 2. abs (automated baseline correction) <br> <strong>2D HSQC Data</strong> 1. xfb (Fourier transformation and phase correction using the stored parameters in both dimensions). 2. abs2 (automated baseline correction in f2, the proton dimension) 3. abs1 (automated baseline correction in f1, the carbon dimension) <br> <strong>2D HMBC Data</strong> 1. xfb (Fourier transformation in both dimensions using the stored parameters, and magnitude calculation). <br> <strong>2D COSY Data</strong> 1. xfb (Fourier transformation in both dimensions using the stored parameters, and magnitude calculation)