Published April 15, 2024 | Version 2.0.1
Software Open

nf-core/metaboigniter: nf-core/metaboigniter v2.0.1 - Purple Tulip

Creators

  • 1. @NBISweden
  • 2. @seqeralabs
  • 3. @BiGCAT-UM
  • 4. Robert Bosch GmbH

Description

This latest version brings some minor updates and enhancements:

  • Default change: Default negative adducts have been changed to H-1:-:0.8 H-3O-1:-:0.2
  • Missing output data after peak picking have been resolved
  • The issue with long file names in the alignment has been fixed
  • Charge state handling in negative mode has been improved
  • C13 detection is now only applied if the identification flag is set
  • SIRIUS has been updated to 5.8.6
  • MS2QUERY has been updated to 1.2.3
  • New parameter ignore_msms_mapping_charge_pyopenms has been added to control the MS2 mapping if the charges are inconsistent between the consensus elements and the spectra

Thank you @axelwalter and @maxulysse for helping with this release.

Files

nf-core/metaboigniter-2.0.1.zip

Files (1.1 MB)

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md5:6628cf94acb37677ecd0c9e75e9f475a
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Additional details

Related works

Is supplement to
Software: https://github.com/nf-core/metaboigniter/tree/2.0.1 (URL)

Software

Repository URL
https://github.com/nf-core/metaboigniter