chufz

Carolin Huber's repositories

Repository of R code, functions and shiny apps that are useful in the daily life of a mass spectrometrist

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Respository for in-silico deconjugation of spectra

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High throughput workflow for human liver S9 incubation data processing

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Collection of ionization efficiency values from the literature together with the unification of the values a up- and downloading options.

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High level functionality to support and simplify metabolomics data annotation.

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Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets

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An R script for the annotation of small-molecule LC-MS data

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Contribution to the Metabolomics 2023 conference of the Metabolomics Society

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Example code from metaRbolomics hackathon 2021

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Spectra backend supporting TimsTOF data files using the opentimsr package.

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This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics

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Interfacing R's Spectra package with the Python world.

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Galaxy tools for metabolomics maintained by Workflow4Metabolomics

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A collection of Galaxy-related training material

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