Pinned Repositories
APEX
Annotation Propagation through multi-layered EXperimental networks (APEX) workflow
lipidomicsUtils
A collection of utility functions for lipidomics
metabolomics2018
Scripts & Data for XCMS Workshop, Metabolomics 2018 in Seattle
metabolomicsUtils
This repository contains several utility functions for MS based metabolomics
metaRbolomics_2021
Example code from metaRbolomics hackathon 2021
RepoRT
This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics
shinyVanKrevelen
interactive van krevelen plots
swathR
swath data processing based on XCMS 3
wormjam
Website/Repository containing the WormJam genome scale model
wormLipidBlastR
michaelwitting's Repositories
michaelwitting/RepoRT
This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics
michaelwitting/wormLipidBlastR
michaelwitting/APEX
Annotation Propagation through multi-layered EXperimental networks (APEX) workflow
michaelwitting/lipidomicsUtils
A collection of utility functions for lipidomics
michaelwitting/metaRbolomics_2021
Example code from metaRbolomics hackathon 2021
michaelwitting/wormjam
Website/Repository containing the WormJam genome scale model
michaelwitting/adductDefinitions
A collection of MS adduct definitions and scripts for their calculation
michaelwitting/CelegansMS2
A repository to store reference spectra of lipids and metabolites related to C. elegans
michaelwitting/CEMigratoR
MSnbase add-on package for converting migration times to electrophoretic mobility
michaelwitting/CompoundDb
Creating and using (chemical) compound databases
michaelwitting/genedataRutils
R scripts and functions to parse output of Genedata Expressionist for MS
michaelwitting/LipidMapsR
R interface to the LipidMaps REST API
michaelwitting/LipidNetworkPredictR
Model based prediction of C. elegans lipids
michaelwitting/lipidoCoreUtils
Low level functions for lipidomics data
michaelwitting/MassBank-data
Official repository of open data MassBank records
michaelwitting/MassBank-web
The web server application and directly connected components for a MassBank web server
michaelwitting/MetaboAnnotationGenedata
An R workflow for the annotation of metabolomics and lipidomics data (mostly from Genedata Expressionist)
michaelwitting/MetaboCoreUtils
Core utilities for metabolomics.
michaelwitting/metabolomics2023
Contribution to the Metabolomics 2023 conference of the Metabolomics Society
michaelwitting/MiMB_Chapter_2023
michaelwitting/MsBackendAgilentCef
A backend for reading Agilent .cef files
michaelwitting/MsBackendMassbank
A prototype backend to parse MassBank records into Spectra
michaelwitting/MsBackendMgf
Mass Spectrometry Data Backend for Mascot Generic Format (mgf) Files
michaelwitting/MsBackendSirius
A backend to read and write .ms files for Sirius
michaelwitting/MsCoreUtils
Core Utils for Mass Spectrometry Data
michaelwitting/pr_test_repo
michaelwitting/retentiontimeindexing
Data and scripts for retention time indexing
michaelwitting/RtTrainingToy
Toy example for RT data to play with GitHub actions
michaelwitting/SwissLipidsR
R package to interface with the SwissLipids API
michaelwitting/uvVisDb
A Shiny app for storing and searching UV/VIS-Data