4 items tagged with 'mass-spectrometry'.
Deprecated
Quantitative Mass Spectrometry nf-core workflow
Created: 4th Jun 2024 at 11:33
Identify and quantify peptides from mass spectrometry raw data
Created: 4th Jun 2024 at 11:33
Stable
This repository hosts Metabolome Annotation Workflow (MAW). The workflow takes MS2 .mzML format data files as an input in R. It performs spectral database dereplication using R Package Spectra and compound database dereplication using SIRIUS OR MetFrag . Final candidate selection is done in Python using RDKit and PubChemPy.
Type: Common Workflow Language
Creators: Mahnoor Zulfiqar, Michael R. Crusoe, Luiz Gadelha, Christoph Steinbeck, Maria Sorokina, Kristian Peters
Submitter: Mahnoor Zulfiqar
Created: 19th Jun 2023 at 21:09, Last updated: 1st Aug 2023 at 15:21
Work-in-progress
Pre-processing of mass spectrometry-based metabolomics data
Created: 30th Sep 2020 at 15:51, Last updated: 4th Jun 2024 at 11:22