Quantitative Analysis of Mass Spectrometry Data

Code for the paper "Antimicrobial resistance prediction in clinical isolates through machine learning on MALDI-TOF mass spectra"

Reads data files acquired by MALDI-TOF MS on Bruker Daltonics machines of the *flex series

Collaborative workflow for untargeted metabolomics data processing and analysis using open-source tools. https://doi.org/10.3390/metabo13040463

MALDI-TOF MS interface for OpenChrom/ChemClipse

SPUTNIK R package

Library that implements "Automatic antibiotic resistance prediction in Klebsiella pneumoniae based on MALDI-TOF mass spectra"

Script for analyzing intensity of olefin species from AgLDI IMS data. Uses MALDIquant, Cardinal and Tidyverse

S2P is an open source application for fast and easy processing of 2D-gel and MALDI-based mass spectrometry protein data.

Dereplicate And Cherry-pick Mass Spectrometry Spectra

R codes for plotting heatmap and line plots for MALDI TOF MS data from sublimated liver tissue. Uses MALDIquant and ggplot2

Script for unsupervised analysis of microdissected fly tubule phospholipid signals as well as fly sections. Uses Cardinal

Codes for analyzing the relative ganglioside intensities MS results of brain sections. Calculates total ion current using MALDIquant.

Detects high variance signals and generates dose-response curves to futher investigate candidate signals.

Data analysis pipeline for strawberry imaging mass spectrometry data in Food Chemistry publication. Uses Cardinal, MALDIquant and Tidyverse

MaldiGut is a mass spectrum profile database of human gut-associated bacteria

M²ara, a R shiny web app for feature selection in cell-based assays.