Guitton Yann's repositories
training-material
A collection of Galaxy-related training material
autonoms
RealTime Ms analysis
massformer
Tandem Mass Spectrum Prediction with Graph Transformers
skills-introduction-to-github
My clone repository
Metaboseek
Interactive software to analyze and browse mass spectrometry data
chromConverter
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
Waters2mzML
Waters2mzML converts & subsequently annotates Waters .raw MSn data (both MSe & DDA) into functional .mzML files. Obtained .mzML files can be processed in MZmine 3. It would be interesting to see if it works for all Waters .raw data and other processing streamlines.
M2S
Package to match untargeted LC-MS metabolomics features between two datasets
platformmanager
PF manager
vimms
A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics
metaboprep
a pipeline of metabolomics data processing and quality control
MS2ToNLConverter
MS2 to NL Converter
MetaboExtract
ShinyApp: resource to compare ten extraction methods among four tissues for intracellular metabolic measurements.
extractioncomparison
Scripts to produce figures for "Comparison of extraction methods for intracellular metabolomics"
NOREVA
R Package for Systematic Optimization of Metabolomic Data Processing
falcon
Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
mspurity-galaxy
Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching
commonMZ
A collection of common mz values found in mass spectrometry.
msbrowser
An RShiny dashboard for visualisation of mass spectrometry (MS) data and fine-tuning of xcms pre-processing parameters
msp2db-galaxy
Galaxy tool for msp2db
MSnbase
Base Classes and Functions for Mass Spectrometry and Proteomics
MS-LIMA-Standard
Mass spectral library manager
metaMSdata
Example data for the metaMS package
simExTargId
Developed by William Edmands and supported by Josie Hayes