SP-LCC — a dataset on the structure and properties of lignin-carbohydrate complexes

Database of structure and properties of 95 lignin-carbohydrate complex samples. The data is structured in the following way:

· Sample ID, biorefinery processing conditions, yield, lignin moieties identified from 2D HSQC NMR, and physiochemical properties for all samples are available in the CSV file named “SP-LCC_table.csv”. The file is structured as described in Table 1.

· Intensities of the NMR spectra are contained in the archive “NMR_spectra.zip”, which contains one file for the intensities per sample named “NMRspectrum_{sampleID}.csv”. The corresponding chemical shifts, at which these intensities were measured, are contained in the same archive NMR_spectra.zip in two files per sample, for the x-axis (F1 C axis) “xarr_{sampleID}.csv” and the y-axis (F2 H axis) “yarr_{sampleID}.csv”, where {sampleID} refers to the sample ID of the respective sample. The files are structured as described in Table 2.

· The CSV files containing the NMR data were generated from Bruker files, which we make available, too, in the “NMR_spectra_Bruker.zip” archive. In the archive, every subfolder is named by the sample ID of the respective sample.

· For full transparency, we also include python scripts to parse and plot the NMR spectra both from the Bruker files, with “parse_and_plot_Bruker_NMR_spectrum.py”, and from the .csv files with “plot_NMR_spectrum.py”. The dependencies for their use are described in the file “readme.txt”.

· Chromatograms are contained in the archives “RI_Chromatogram.zip” and “LS_Chromatogram.zip” with one file per sample named “RI_Chromatogram_{sampleID}.csv” the refractive index and “LS_Chromatogram_{sampleID}.csv” for light scattering chromatograms. For parallel measurements, “_2” has been added to the file name. The files are structured as described in Table 2. Additional details of the chromatogram data are described in section 2 of the Supplementary information.

· Thermograms are contained in the archives “TD_Thermogram.zip” and “Tg_Thermogram.zip” with one file per sample named “Tg_Thermogram_{sampleID}.csv” for thermograms obtained from DSC analyses and “TD_Thermogram_{sampleID}.csv” obtained from TGA analyses. For parallel measurements, “_2” has been added to the file name. The files are structured as described in Table 2. Additional details of the thermogram data are described in section 2 of the Supplementary information.