Projects in Awesome Lists tagged with gc-ms
A curated list of projects in awesome lists tagged with gc-ms .
https://github.com/jwist/coffee
Datasets of metabolic profiles of coffees from different species and origin
coffee dataset gc-ms infrared metabolic-profiling mir nir nirs nmr
Last synced: 11 Apr 2025
https://github.com/ethanbass/mzinspectr
Load and analyze MS-DIAL alignment files in R for analysis of mass spectrometry data.
cheminformatics gc-ms lc-ms metabolomics r r-package r-stats
Last synced: 18 Dec 2024
https://github.com/Marta-Barea/hsgcms-paraffinwax-odor-ml
Data processing approaches for paraffin wax odor discrimination and quantification
chemistry chemoinformatics chemometrics gc-ms gc-ms-data machine-learning machine-learning-algorithms petroleum petroleum-science r
Last synced: 07 Apr 2025
https://github.com/marta-barea/hsgcms-paraffinwax-odor-ml
Data processing approaches for paraffin wax odor discrimination and quantification
chemistry chemoinformatics chemometrics gc-ms gc-ms-data machine-learning machine-learning-algorithms petroleum petroleum-science r
Last synced: 24 Mar 2025
https://github.com/sajfb/isotopic-profile-deconvolution-chromatogram-ipdc-algorithm
The IPDC algorithm was developed to screen for a wide variety of organic compounds in high-resolution mass spectrometry (HRMS) data acquired from instruments with resolution power as low as 22 000 fwhm.
apgc environmental-monitoring environmental-toxicology gc-ms isotopic-distribution-calculations lc-ms mass-spectrometry
Last synced: 11 Mar 2025
