Issue with Data Processing in MetaboAnalyst 6.0 – Seeking Guidance

MetaboAnalyst
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Since there is no detailed information provided for troubleshooting request, here are some comments based on the screenshots

  1. The HPLC-Orbitrap is a high resolution instrument, and you should NOT use MatchedFiltered which is mainly designed for low-resolution instrument.

  2. For LC-Orbitrap, our tool can perform automated parameter optimization - just leave the “centWave-auto” (default)

  3. If you want to do manual tuning, start from the default parameters for “centWave-manual” assuming you are very familiar with the instument & experiment

You can read these two publications for more detail:

  1. Algorithm for Parameter Optimization: MetaboAnalystR 3.0: Toward an Optimized Workflow for Global Metabolomics.
  2. Nature Protocols: Using MetaboAnalyst 5.0 for LC-HRMS spectra processing, multi-omics integration and covariate adjustment of global metabolomics data
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