Tag: nuclear magnetic resonance (nmr) spectroscopy

MetaboLights is a database for metabolomics studies, their raw experimental data and associated metadata. The database is cross-species and cross-technique and it covers metabolite structures and their reference spectra as well as their biological ro ...

The Protein Data Bank in Europe (PDBe) is the European resource for the collection, organisation and dissemination of data on biological macromolecular structures. It is a founding member of the worldwide Protein Data Bank which collects, organises a ...

BMRB collects, annotates, archives, and disseminates (worldwide in the public domain) the important spectral and quantitative data derived from NMR spectroscopic investigations of biological macromolecules and metabolites. The goal is to empower scie ...

An exchange format for reporting experimentally determined three-dimensional structures of biological macromolecules that serves a global community of researchers, educators, and students. The data contained in the archive include atomic coordinates, ...

NMR-STAR is an extension of the STAR file format to store the results of biological NMR experiments.

nmrCV is a MSI-sanctioned NMR controlled vocabulary, created within the COSMOS EU project, to support the nmrML data standard for nuclear magnetic resonance data in metabolomics with standardized meaningful data descriptors. This CV is the successor ...

nmrML is an open mark-up language for NMR raw and spectral data. It is has recently seen its first proper release, ready for public use. The development of this standard was previously coordinated by the COSMOS - COordination Of Standards In MetabOlo ...

The Carbohydrate Structure Database (CSDB) contains manually curated natural carbohydrate structures, taxonomy, bibliography, NMR data and more. The Bacterial (BCSDB) and Plant&Fungal (PFCSDB) databases were merged in 2015, becoming the CSDB, to impr ...

Validated NMR structures of proteins and nucleic acids.

The Yeast Metabolome Database (YMDB) is a manually curated database of small molecule metabolites found in or produced by Saccharomyces cerevisiae (also known as Baker’s yeast and Brewer’s yeast). This database covers metabolites described in textboo ...

nmrshiftdb2 is an NMR database for organic structures and their nuclear magnetic resonance (NMR) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. It also features ...

The PSI Extended Fasta Format (PEFF) is a unified format for protein and nucleotide sequence databases to be used by sequence search engines and other associated tools (spectra library search tools, sequence alignment software, data repositories, etc ...

The CCPN Data Model for macromolecular NMR is intended to cover all data needed for macromolecular NMR spectroscopy from the initial experimental data to the final validation. It serves for exchange of data between programs, for storage, data harvest ...

The Nuclear Magnetic Resonance Extracted Data Format (NMReDATA) associates NMR parameters extracted from 1D and 2D spectra of organic compounds to the proposed chemical structure. The format includes chemical shift values, signal integrals, intensiti ...

MeRy-B is a plant metabolomics platform allowing the storage and visualisation of Nuclear Magnetic Resonance (NMR) metabolic profiles from plants.

The Analytical Information Markup Language (AnIML) is the emerging ASTM XML standard for analytical chemistry data. It is currently in pre-release form.