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Published November 20, 2023 | Version v2
Dataset Open

Cleaned libraries and settings matchms library cleaning pipeline

  • 1. ROR icon Wageningen University & Research
  • 1. Wageningen University & Research
  • 2. Research Centre for Toxic Compounds in the Environment
  • 3. Hochschule Düsseldorf University of Applied Sciences

Description

Contains the results of library cleaning by matchms library cleaning pipelines. 

ALL_GNPS_NO_PROPOGATED_21_08_2023.mgf library downloaded on 21-08-2023 from https://gnps-external.ucsd.edu/gnpslibrary/ALL_GNPS_NO_PROPOGATED.mgf

The 2 folders contain 2 different cleaning pipelines on the GNPS library.

Each folder contains:

A yaml file: This contains the settings used for this run. Should be used to rerun the pipeline with the same settings.

A .py file: This was the script used to run the pipeline. Not recommended to reuse, instead use the yaml file.  

A .log file: Containing the log of the run. At the end the processing report is given.

A .mgf file: The cleaned library spectra.

Files

cleaned_libraries_matchms.zip

Files (1.5 GB)

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