An experiment which measured 15N labeled and unlabeled Chamydomonas reinhardtii samples at different ratios.
The ProteomIQon is a collection of open source computational proteomics tools to build pipelines for the evaluation of MS derived proteomics data written in F#. The current state of the tool chain allows handle tasks like signal detection, peptide identification, quantification and protein inference. Each ProteomIQon tool is concerned with a specific task. This makes the tool-chain flexibel and easily extendable.
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
Non-functional workflow to get a global view of possibilities for plant virus classification.
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Pre-processing of mass spectrometry-based metabolomics data
