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PHM5002 - Metabolomics Data Postprocessing

From Raw Data to Reliable Analytical Results

Summary

R-based tutorial for processing targeted plasma lipidomics data using the dataset by Tan et al. (2022), in which 413 plasma lipids were quantified in 440 samples by LC–MS/MS with multiple reaction monitoring (MRM). Starting from preprocessed peak-area data, the tutorial demonstrates typical postprocessing and key quality control steps.

Preparing for the tutorial

Please ensure to have R, RStudio and required R packages installed before the start of the tutorial:

  • R (version 4.4, or higher). Download from https://cloud.r-project.org/. Check your R version by running following command in your console: R.Version()$version.string
  • RStudio (Version >= 2024.04). Download from https://posit.co/download/rstudio-desktop/. Check your RStudio version by clicking About RStudio under the menu Help.
  • To run the code, following R packages must be installed before the start of the tutorial: tidyverse, broom, and here. To convert the notebook to HTML or DOCX, also the packages knitr and rmarkdown are required. Install all these packages via install.packages(c("tidyverse", "broom", "here", "knitr", "rmarkdown"))

Download the project

Download the R Project containing the scripts and data used in this workshop from this repository (click on the green button "<>Code" and then "Download ZIP"). Alternatively, you can clone this repository using Git, RStudio and Positron.

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License

This project is licensed under the MIT License - see the LICENSE.md file for details

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