Pinned Repositories
alsace
ALS for Automatic Chemical Exploration of mixtures
autonoms
RealTime Ms analysis
bibbase.github.io
BibBase Example Page
Bika-LIMS
Web-based Laboratory Information Management System
bioconda-recipes
Conda recipes for the bioconda channel.
chromConverter
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
commonMZ
A collection of common mz values found in mass spectrometry.
CP-Seeker
CP-Seeker is dedicated to the post-acquisition processing, visualization and analysis of ion signals from polychlorinated alkanes (PCAs) and related chemical families within chromatography–high resolution mass spectrometry (HRMS) data sets.
MeHaloCoA
R package dedicated to halogen-containing compounds detection in LC-hrMS
metaMS
data processing for MS-based metabolomics
yguitton's Repositories
yguitton/metaMS
data processing for MS-based metabolomics
yguitton/CP-Seeker
CP-Seeker is dedicated to the post-acquisition processing, visualization and analysis of ion signals from polychlorinated alkanes (PCAs) and related chemical families within chromatography–high resolution mass spectrometry (HRMS) data sets.
yguitton/autonoms
RealTime Ms analysis
yguitton/chromConverter
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
yguitton/commonMZ
A collection of common mz values found in mass spectrometry.
yguitton/extractioncomparison
Scripts to produce figures for "Comparison of extraction methods for intracellular metabolomics"
yguitton/falcon
Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
yguitton/M2S
Package to match untargeted LC-MS metabolomics features between two datasets
yguitton/massformer
Tandem Mass Spectrum Prediction with Graph Transformers
yguitton/MetaboExtract
ShinyApp: resource to compare ten extraction methods among four tissues for intracellular metabolic measurements.
yguitton/metaboprep
a pipeline of metabolomics data processing and quality control
yguitton/Metaboseek
Interactive software to analyze and browse mass spectrometry data
yguitton/metaMSdata
Example data for the metaMS package
yguitton/MS-LIMA-Standard
Mass spectral library manager
yguitton/MS2ToNLConverter
MS2 to NL Converter
yguitton/msbrowser
An RShiny dashboard for visualisation of mass spectrometry (MS) data and fine-tuning of xcms pre-processing parameters
yguitton/MSnbase
Base Classes and Functions for Mass Spectrometry and Proteomics
yguitton/msp2db-galaxy
Galaxy tool for msp2db
yguitton/mspurity-galaxy
Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching
yguitton/mzxml-precursor-corrector
yguitton/NOREVA
R Package for Systematic Optimization of Metabolomic Data Processing
yguitton/Paramounter
yguitton/platformmanager
PF manager
yguitton/simExTargId
Developed by William Edmands and supported by Josie Hayes
yguitton/skills-introduction-to-github
My clone repository
yguitton/TAG_platform
yguitton/training-material
A collection of Galaxy-related training material
yguitton/vimms
A framework to develop, test and optimise fragmentation strategies in LC-MS metabolomics
yguitton/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.
yguitton/yguitton.github.io