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Published August 11, 2021 | Version v1
Dataset Open

Toy datasets for GTN materials about Metabolomics data processing

  • 1. Workflow4Metabolomics

Description

These are the datasets needed for the GTN tutorial about Data processing of Metabolomics MS-based data.

The dataMatrix and corresponding sampleMetadata files are simulated data, specially created from scratch for the GTN tutorial.

The variableMetadata file's columns of m/z and rt characteristics have been filled with values picked from a table obtained by an extraction process of some untargetted MS raw files. MS raw files used are from https://zenodo.org/record/3757956; extraction was performed using XCMS with parameters that might not be optimal.

Files

Dataprocessing_dataMatrix.txt

Files (73.2 kB)

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md5:f7518c5a85684812414109bd4c6cf8b6
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md5:77bfab7f8ac5ed1cfa05030b231a861a
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md5:1c6e63daf4825673c63ecbaf2db93b87
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