Physics

Standards Add

Open Standard for Particle-Mesh Data (openPMD) Edit

The openPMD standard provides naming and attribute conventions that allow the exchange of particle and mesh based data from scientific simulations and experiments. The primary goal is to define a minimal set/kernel of meta information that enables the sharing and exchange of data to achieve.

  • portability between various applications and differing algorithms;
  • a unified open-access description for scientific data (publishing and archiving);
  • a unified description for post-processing, visualization and analysis.

The standard suits any kind of hierarchical, self-describing data format, such as, but not limited to ADIOS1 (BP3), ADIOS2 (BP4), HDF5, JSON, and XML.

PDBx/mmCIF (Protein Data Bank Exchange Dictionary and the Macromolecular Crystallographic Information Framework) Edit

Protein Data Bank archive (PDB) is the single worldwide archival repository of information about the 3D structures of proteins, nucleic acids, and complex assemblies, managed by the Worldwide PDB (wwPDB). The PDB Exchange Dictionary (PDBx) is used by the wwPDB to define data content for deposition, annotation and archiving of PDB entries. PDBx incorporates the community standard metadata representation, the Macromolecular Crystallographic Information Framework (mmCIF), orginally developed under the auspices of the International Union of Crystallography (IUCr). PDBx has been extended by the wwPDB to include descriptions of other experimental methods that produce 3D macromolecular structure models such as Nuclear Magnetic Resonance Spectroscopy, 3D Electron Microscopy and Tomography.

Extensions Add

Tools Add

ICAT Edit

A metadata storage service that implements CSMD Version 2.5 to record information about physical science experiments.

ICATLite Edit

A sister project of ICAT, consisting of a suite of CSMD-based software tools designed to support derived data management in the scientific research process.

PDBx/mmCIF Software Resources Edit
Parsing, validation, and visualization tools and libraries supporting PDBx/mmCIF, the data standard used by the Worldwide Protein Data Bank.

Use Cases Add

CSMD Pilot Studies Edit

A desk study of CSMD implementation in two facilities: the UK National Crystallography Service and the ISIS Neutron Source.

ICAT Implementations Edit

The ICAT website's list of the facilities and organisations usingthe CSMD-based ICAT software.

wwPDB (Worldwide Protein Data Bank) Edit

Protein Data Bank archive (PDB) is the single worldwide archival repository of information about the 3D structures of proteins, nucleic acids, and complex assemblies. The Worldwide PDB (wwPDB) organization manages the PDB archive and ensures that the PDB is freely and publicly available to the global community.