/metabolomics

Primary LanguageHTML

metabolomics

This repo contains scripts to process metabolomics data.

You can find the documentation on ReadTheDocs.

MS Convert

  • ms_convert_tool.r - Krista's R script that she used for converting files
  • msconvert_wrapper.py - Claire's python script to convert files

Processing data

  • raw2feats.py - user-interfacing script that coordinates the processing. This is the script you should run to process your data.
  • preprocessing_mtab.py - module with functions to process metabolomics data (most of these functions are calls to the R scripts)
  • align_peaks.R, pick_peaks.R - R scripts which are called and actually do the processing
  • SummaryParserMtab.py - module to parse summary file

To do

  • clean up unnecessary files