stanstrup

commonMZ

A collection of common mz values found in mass spectrometry.

PredRet

Shiny app for retention time prediction

PeakABro

Peaklist Annotator and Browser

QC4Metabolomics

QC systems for metabolomics studies

xcms_ggplot2

Playhouse for turning xcms plotting functions into ggplot2 based functions

Batch_Correction

biohackathon-projects-2022

Project code for BioHackathon Europe 2022.

bisoreg

CAMERA

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

CompoundDb

Creating and using (chemical) compound databases

gitlab-backup

Backup script for Gitlab with CRON and docker support

metabolomics2023

Contribution to the Metabolomics 2023 conference of the Metabolomics Society

metaRbolomics

Metabolomics in R and Bioconductor

MsBackendMassbank

A prototype backend to parse MassBank records into Spectra

MsBackendMsp

Mass Spectrometry Data Backend for MSP Files

MsExperiment

Managing and Processing Mass Spectrometry Experiments

MSnbase

Base Classes and Functions for Mass Spectrometry and Proteomics

nipals

Principal Component Analysis with missing data using NIPALS with Gram-Schmidt orthogonalization

PageCrypt

Client-side password-protection for HTML

phd_thesis_markdown

Template for writing a PhD thesis in Markdown

react-native-unified-contacts

Your best friend when working with the latest and greatest Contacts Framework in iOS 9+ in React Native.

rinchi

An R wrapper around the InChI functionality provided by the rcdk

Spectra

Low level infrastructure to handle MS spectra

stanstrup.github.io

A responsive Jekyll theme with clean typography and support for large full page images.

Statistical-analysis-of-non-targeted-LC-MSMS-data

A hitchhiker's guide to statistical analysis of non-targeted LC-MS/MS data:

vinifera_ruocco

webchem

Chemical Information from the Web

xcms

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