Monday:2-8 pm Berlin time - Metabolomics: what, why, how




-          What is metabolomics (targeted and untargeted)




-          Study design considerations




-          Analytical chemistry in metabolomics




-          Integrating Data Analysis and Data Collection




-          Data sharing and reproducibility




-          Group activity: design your study







Tuesday: 2-8 pm Berlin time - From zero to R

-         R and RStudio

-         Visualizing your data

-         Data carpentry (practical)

-         Multivariate visualization by PCA





Wednesday 2-8 pm Berlin time - Untargeted Metabolomics



-        Preprocessing of MS based untargeted metabolomics data

-        The pre-processing workflow

-        Let’s do it in R with xcms

-        Are my data OK?

-        Quality assessment

-        Missing values and imputation

-        From Features to compounds … annotation






Thursday 2-8 pm Berlin time - Analyzing a metabolomics data matrix



-        Univariate Approach: Introduction to statistical testing and modeling

-        Multiple testing

-        Multivariate approaches:  PCA, PLS, Random Forest