Crystallography and databases

Autor: Soorya N Kabekkodu, John D. Westbrook, Saulius Gražulis, Ian J. Bruno, John R. Helliwell, Brian McMahon

Publikováno v: Data science journal, London : Ubiquity Press, 2017, Vol. 16, Art. No. 38
Data Science Journal; Vol 16 (2017); 38
Data Science Journal, Vol 16 (2017)

Crystallographic databases have existed as electronic resources for over 50 years, and have provided comprehensive archives of crystal structures of inorganic, organic, metal–organic and biological macromolecular compounds of immense value to a wid

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0615179b83c075a1df9beb575ac947c8
https://repository.vu.lt/VU:ELABAPDB24449874&prefLang=en_US

New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities

Autor: Soorya N. Kabekkodu, John Faber, T. G. Fawcett

Publikováno v: Acta Crystallographica Section B Structural Science. 58:333-337

The International Centre for Diffraction Data (ICDD) is responding to the changing needs in powder diffraction and materials analysis by developing the Powder Diffraction File (PDF) in a very flexible relational database (RDB) format. The PDF now con

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb969c31ca919c4f4587a56aa549ebbe
https://doi.org/10.1107/s0108768102002458

Advanced materials analysis with the Powder Diffraction File

Autor: Thomas N. Blanton, T. G. Fawcett, Justin Blanton, Cyrus E. Crowder, Soorya N. Kabekkodu

Publikováno v: Acta Crystallographica Section A Foundations and Advances. 71:s511-s511

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::296d0b606a7af2ee202197588bd2b23a
https://doi.org/10.1107/s205327331509244x