Datasetpublic

lbnl-metabolomics/ExoW3-NLDM

ExoW3-NLDM 54 LCMS runs (mzML). Every file is self-describing: the complete experimental record is encoded directly into the mass spectra with SpectraCodec. Decode any single file to recover it. How the encoding and decoding works is documented in the SpectraCodec repository. Authenticity Every file is cryptographically signed. The embedded message carries a provenance block with two Ed25519 signatures: payload_signature covers the embedded experimental record… See the full description on the dataset page: https://huggingface.co/datasets/lbnl-metabolomics/ExoW3-NLDM.

sourceHugging Facecc-by-nc-4.0updated 8d agoView on Hugging Face

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Dataset Card

ExoW3-NLDM

54 LCMS runs (mzML). Every file is self-describing: the complete experimental record is encoded directly into the mass spectra with SpectraCodec. Decode any single file to recover it. How the encoding and decoding works is documented in the SpectraCodec repository.

Authenticity

Every file is cryptographically signed. The embedded message carries a provenance block with two Ed25519 signatures: payload_signature covers the embedded experimental record, and spectra_signature covers the acquired spectra themselves (via a spectral digest that excludes the carrier spectrum). Verify either with the published key — fingerprint SHA256:lbrclU9WYbrXjl/AWl8VOWFUEm5EQgGybgdSKZzTwfA:

-----BEGIN PUBLIC KEY-----
MCowBQYDK2VwAyEAGqP/DGL5rqwsLLD/24feNs38sLkGS2vLZVOsXlWOnxg=
-----END PUBLIC KEY-----

bash

python spectra_codec.py verify <file>.mzML --key spectracodec_verification_key.pem

The same key ships as spectracodec_verification_key.pem in the SpectraCodec repository (v1.1.0).

License

Data acquired at Lawrence Berkeley National Laboratory / DOE Joint Genome Institute. CC-BY-NC-4.0. For rights to use or distribute SpectraCodec itself: Berkeley Lab Intellectual Property Office (IPO@lbl.gov).