NMR Dataset for Greyia radlkoferi leaf material processed with different drying methods.
The data was obtained from NMR Spectra using MestReNova software (9.0.1, Mestrelab Research Spain). MestReNova software reduces spectra into usable data. This data represent buckets/bins of Greyia radlkoferi leaf material processed using sun, air and oven drying methods and can be interpreted by means of Multivariate analysis (PCA and OPLS-DA) using Simca software (13.0, Umetrics, Umeå, Sweden)
Steps to reproduce
MestReNova software (9.0.1, Mestrelab Research Spain) was used for the pre-processing of the spectral data. Manual phase adjustment and baseline correction were conducted in all sample spectra as well as calibration with an internal standard TSP to 0.0 ppm. The chemical shift of δ4.70-4.90 and δ 3.23-3.36, representing water and methanol respectively (Mediani et al. 2012), were excluded from further analysis. MestReNova was further used for bucketing of NMR spectra. The spectral intensities were therefore reduced to integrated regions, also referred to as buckets or bins, of equal width (0.04 ppm each) corresponding to the region of 0.04-10.00ppm. The ASCII generated files were then imported to Microsoft Excel 2010 after which they were imported to Simca-software (13.0, Umetrics, Umeå, Sweden) multivariate data analysis..