Laser desorption ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI-FT-ICR MS) data from soils, soil extracts, and manure samples

Processed and quality checked FT-ICR MS data for soil and manure samples (as well as their dried extracts) measured by LDI-FT-ICR MS.

The processed (blank-corrected, base-peak-corrected, normalized) FT-ICR-MS data, including downstream statistical analyses, is provided as a separate table ("ds01.xlsx"). For explanations of variables and abbreviations used in this table, see the overview sheet of the file. Naming convention of mass spectra in other provided datsets (ds02-ds05) and how they relate to data given in ds01 as well as the manuscript/ SI are indicated in Sheet1 of ds01.

Also provided are raw FT-ICR-MS data in four separate datasets (ds02 - ds05, as zipped containers) each containing the complete initial molecular formula assignments ("formulas.csv") and related aggregated values ("eval_summary.csv") as well as a definition file ("repository_file_definition.csv").

Sampling and measurement conditions are described in the respective paper (Simon, C.; Miltner, A.; Mulder, I.; Kaiser, K.; Lorenz, M.; Thiele-Bruhn, S.; Lechtenfeld, O., Long-term effects of manure addition on soil organic matter molecular composition: Carbon transformation as a major driver of energetic potential. Soil Biol. Biochem. 2025, 205. https://doi.org/10.1016/j.soilbio.2025.109755).

More information on the used soil samples and their microbiological and chemical properties can be found here: https://zenodo.org/records/11207502