sneumann

xcms

This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis

mzR

This is the git repository matching the Bioconductor package mzR: parser for netCDF, mzXML, mzData and mzML files (mass spectrometry data)

CAMERA

This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data

Rdisop

This is the git repository matching the Bioconductor package Rdisop: Decomposition of Isotopic Patterns

NMR-ML

weizfrag

Test-ground to integrate WeizMass into MetFrag

convertmzmlwrapper

This repo contains some local convenience scripts around mzML converision tools

MassBank-data

bioschemas-validator

This is the validation suite targeting metadata conforming to Bioschemas profiles.

bioschemas.github.io

Files for the Bioschemas website.

container

Options for running ProteoWizard applications via containers (e.g. Docker)

d2l-en

Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 400 universities from 60 countries including Stanford, MIT, Harvard, and Cambridge.

FAIR-checker

Web tool to assess FAIR principles and promote their implementation

IonMobilityViz

LC-IM-MS data visualization tool in R / Shiny

javatools

Java programs for the NMReDATA format

MassSpecWavelet

MassSpecWavelet Bioconductor package

metabolighteR

R Interface to the Metabolights REST API

metabolights-editor

MetaboLights Online Editor (MOE) is a Single Page Application (SPA) built upon Angular 7, and Redux frameworks. MOE provides MetaboLights users and curators with an intuitive and easy to use interface to create, edit and annotate their studies online.

metabolomics2023

Contribution to the Metabolomics 2023 conference of the Metabolomics Society

metfragrank

Process MetFrag parameter files and calculate rank summary

OntoMaton

OntoMaton facilitates ontology search and tagging functionalities within Google Spreadsheets.

opentims

Open-source C++ and Python module for opening binary timsTOF data files.

pidgraph-notebooks-r

plantspec

A tool for spectral analysis of plant stoichiometry

PXD019330

ISA-Tab annotation of PRIDE submission PXD019330

rmzTab-m

The R-language bindings for mzTab-M

schemas-science.github.io

Webpages for schemas.science which provides specifications (types and profiles) for research digital objects

ShinyMzMLConvert

A GUI for different mzML converter tools

specifications

Issue tracker, technical wiki, and example markup

spectra-hash

The splash, this is the reference documentation