wbs-tw Goto Github PK

arcms

Mass spectrometry data converter from UNIFI to Parquet and HDF5 formats

book_nta-hrms

Book on nontarget and suspect screening using HRMS

complexheatmap

Make Complex Heatmaps

compounddb

Creating and using (chemical) compound databases

course_r_for_environ_chem_data_analysis

PhD course in R4ECDA

cp-crawler

Chlorinated paraffin pattern reconstruction code (in R)

cp_website

cpquant

Interactive quantification of CPs using R Shiny

deepresolution2

Deep-Learning-Based Multivariate Curve Resolution 2.0

deimos

envigcms

GC/LC-MS data analysis for environmental science

envipat

Isotope fine structure calculation - R package

envipick

Peak picking in LC-HRMS data - R package

erah-devel

eRah development version. For downloads, please use CRAN

graphdb

handbook-for-hrms-instruments

Handbook for GC orbitrap usage and data processing

hrms-ssanta

Bookdown

incubator

High throughput workflow for human liver S9 incubation data processing

interactivecomplexheatmap

Make Interactive Complex Heatmaps

ke201g

maygen

MAYGEN is an open source chemical structure generator based on the orderly graph generation method.

mdplotr

Using Shiny to analyze MS data by mass defect plots

met4dx

metaboannotator

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

metabolome-lipidome-msdial

Guide to processing raw LCMS metabolomic and lipidomic data using MS-DIAL, followed by data pre-processing and secondary annotation (of metabolites) in R.

ms-pred

Predicting tandem mass spectra from molecules

msdial-linux-tutorial

The tutorial for running MS-DIAL on Linux cluster

msmetaenhancer

Tool for mass spectra metadata annotation.

msxplorer

nontarget

Isotope & adduct peak grouping, homologue series detection - R package