Proccessed Data for the Pipelines of the Project "Multiomics and quantitative modelling disentangle diet, host, and microbiota contributions to the host metabolome"

Proccessed Data for the Pipelines of the Project "Multiomics and quantitative modelling disentangle diet, host, and microbiota contributions to the host metabolome"

Contents:

Folder /metabolomics/ contains processed metabolomics data from the project:

/metabolomics/metabolites_allions_combined_norm_intensity.csv - file containing normalized intensities of ions detected across tissues with six measurement methods.
/metabolomics/metabolites_allions_combined_formulas_with_metabolite_filters_spatial100clusters_with_mean.csv - file containing metabolite attribution to spatial clusters and mean intensity values across tissues and conditions.

Folder /output/ contains example output of the pipelines:

/output/model_results_SMOOTH_raw_2LIcoefHost1LIcoefbact_allions.csv - file containing estimated model parameters (intestinal flux and metabolic flux values) for the forward problem for metabolomics measurements in the GIT.
/output/model_results_SMOOTH_normbyabsmax_reciprocal_problem_allions.csv - file containing estimated model parameters for the reverse problem (metabolite intensities) for the parameters estimated with the forward problem.
/output/model_results_SMOOTH_normbyabsmax_2LIcoefHost1LIcoefbact_allions.csv - file containing estimated model parameters (intestinal flux and metabolic flux values) for the forward problem for metabolomics measurements in the GIT, normalized by absolute maximum value.
/output/model_results_SMOOTH_normbyabsmax_ONLYMETCOEF_2LIcoefHost1LIcoefbact_allions.csv - file containing estimated model parameters (only metabolic flux values) for the forward problem for metabolomics measurements in the GIT, normalized by absolute maximum value.
/output/table_hierarchical_clustering_groups.csv - file containing attribution of the annotated metabolites to groups according to hierarchical clustering of the normalized model parameters.
/output/cgo_clustergrams_of_model_coefficients.mat - matlab object containing clustergram of the normalized model parameters and manually derived sub-clustergrams corresponding to different largest parameter values.