Processing and statistical analysis of data generated by fingerprinting experiments
Regarding to the lipidomics data analysis, data were processed by the LipidMatch suite [26], which uses MZmine 2 for feature extraction and an R script for lipid identification. Lipids were identified based on fragmentation spectra and accurate mass in silico libraries, which are part of the LipidMatch suite. Fragmentation spectra of the significant compounds from metabolomics were also compared to those present in METLIN and LIPIDMAPS databases, and their identities were confirmed. In case of metabolomics data, the data were processed by Profinder software (Agilent Technologies, Santa Clara, CA, USA) and MZmine 2.The data matrices obtained from lipidomics and metabolomics data processing were imported to SIMCA for multivariate analysis and Mass Profiler Professional (MPP, Agilent technologies for univariate analysis and metabolite profiling. Logarithmic transformation and pareto scaling were used to pre-process the data. Two-way ANOVA (corrected p-value cut-off: 0.05; p-value computation: Asymptotic; Multiple Testing Correction: Benjamini-Hochberg) analysis was applied to the data matrix to filter significant entities affected by diet group and sampling point factors.