HDX-MS-datasets

Repository for HDX-MS datasets

NOTE: This is not the HDX dataset format proposed at the HDX-MS 2022 conference, which includes isotopic envelopes, but a .yaml based format containing metadata and peptide-average deuterium uptake.

The aim of this repository is to collect curated bottom-up HDX-MS datasets for automated processing, data mining and interactive visualization.

Datasets should consist of .csv D-uptake/exposure peptide tables. Each dataset is described by a metadata.yaml file and a hdx_spec.yaml file.

Repository for downloading and loading datasets in python: hdxms-datasets

metadata.yaml

• Contains a list of authors (and contact email, ORCID, affiliations, ...)
• List of associated publications with the datasets
• List of repositories where raw data or associated data can be found

hdx_spec.yaml

• Describes the protein of interest
• Information on the protein state (mutations, ligands, oligomeric state, buffer conditions)
• HDX specific experimental conditions (deuteration percentage, pH, temperature)
• Specification of .csv file format
• Definition of peptide sets per protein state (FD control / ND control / experiment)