/microbe_masst

Using MASST or fastMASST, adding metadata onto a tree ontology for microbes

Primary LanguageJupyter NotebookMIT LicenseMIT

DOI

How to cite?

microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data in Nature Microbiology

fast microbeMASST

Using MASST or fastMASST to search all public datasets on GNPS/MassIVE, adding extensive metadata onto an ontology for microbes.

Batch jobs runner

  1. Navigate to the jobs.py file add entries to the files list as ("input file", "output_directory/file_prefix)
  2. Run jobs.py
  3. Some entries might fail - adding the same input output file combination multiple times to run iteratively with the option: skip_existing=True

Usage

# single USI or GNPS library ID
microbe_masst.py
# batch jobs
microbe_masst_batch.py