Published June 11, 2024
| Version v3
Dataset
Open
Cleaned libraries and settings matchms library cleaning pipeline
- 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.