X-Ray Diffraction Data
MeSH ID: D014961
Description:
The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (crystallography, X-ray). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)
Best practice for sharing this type of data:
Data should be shared in the standard Crystallography Information Framework (CIF) file format.
Most suitable repositories:
Crystal structures should be added to repositories such as Coherent X-Ray Imaging Databank, COD, Electron Microscopy Databank, ICSD, Protein Databank in Europe, PANGAEA, PANGAEA, Structural Biology Data Grid, and The Cambridge Structural Database.
Best practice for indicating re-use of existing data:
For public datasets please provide a DOI or other stable identified for the dataset itself *and* include a citation for the dataset in the reference list. Be sure to indicate exactly which data has been re-used, particularly when multiple versions of the dataset exist. In many cases, this is best achieved by sharing the code used to extract the part of the data that you analyzed. In some cases it may be best to share the exact dataset(s) you analyzed as well.
For access-controlled data authors should provide a link to instructions for obtaining access (e.g. here is the information page for ADNI (Alzheimer's Disease Neuroimaging Initiative): http://adni.loni.usc.edu/data-samples/access-data/).
When re-using a private dataset from a previous study please contact the data owners to discuss how the data can be made public.
