mfassignr/main
v0.1

View on GitHub Download RO-Crate Run on Galaxy
Workflow Type: Galaxy

This workflow can be used to assign multi-element molecular formulas to ultrahigh resolution mass spectra.

SEEK ID: https://workflowhub.eu/workflows/1351?version=1

Inputs

ID Name Description Type
Feature table Feature table Input dataframe. First column should be "mass", second "intensity"; third column is optional, can contain retention time.
  • File

Steps

ID Name Description
1 MFAssignR KMDNoise toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_kmdnoise/mfassignr_kmdnoise/1.1.2+galaxy0
2 MFAssignR HistNoise toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_histnoise/mfassignr_histnoise/1.1.2+galaxy0
3 MFAssignR SNplot toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_snplot/mfassignr_snplot/1.1.2+galaxy1
4 MFAssignR IsoFiltR toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_isofiltr/mfassignr_isofiltr/1.1.2+galaxy1
5 MFAssignR MFAssignCHO toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_mfassigncho/mfassignr_mfassignCHO/1.1.2+galaxy1
6 MFAssignR RecalList toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_recallist/mfassignr_recallist/1.1.2+galaxy0
7 MFAssignR FindRecalSeries toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_findrecalseries/mfassignr_findRecalSeries/1.1.2+galaxy1
8 MFAssignR Recal toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_recal/mfassignr_recal/1.1.2+galaxy0
9 MFAssignR MFAssign toolshed.g2.bx.psu.edu/repos/recetox/mfassignr_mfassign/mfassignr_mfassign/1.1.2+galaxy1

Outputs

ID Name Description Type
SNplot SNplot n/a
  • File
plots (CHO) plots (CHO) n/a
  • File
recal_series recal_series n/a
  • File
final_series final_series n/a
  • File
MZplot MZplot n/a
  • File
None None n/a
  • File
Ambig Ambig n/a
  • File
Unambig Unambig n/a
  • File
plots plots n/a
  • File

Version History

v0.1 (earliest) Created 30th Apr 2025 at 03:02 by WorkflowHub Bot

Updated to v0.1


Frozen v0.1 04795df
help Creators and Submitter
Creators
  • Kristina Gomoryova
  • Helge Hecht
Additional credit

RECETOX, MUNI

Submitter
Tool
MFAssignR
License
MIT License
Activity

Views: 14   Downloads: 1   Runs: 0

Created: 30th Apr 2025 at 03:01

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