five

Cleaned libraries and settings matchms library cleaning pipeline

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NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/10036538
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资源简介:
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.
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2024-06-11
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