 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
journal menu
![[Figure 6]](bm5086fig6mag.jpg)
|
|
Figure 6
An illustration of the flow from sample to CSD entry. Solid lines are the elements of the process involving the CCDC. A crystalline sample (a) is put on a diffractometer (b) for an experiment that ultimately results in the experimentally determined coordinates of atoms in the crystal that are captured in a CIF file (c). The CIF file is deposited with the CCDC (d) and may be associated with a scientific article (e). On publication of the article, the structure is validated and enriched by CCDC editorial software and staff (f) to create an entry in the CSD (g). Structures are publicly accessible through CSD community services such as Access Structures (h). Standard identifiers such as DOIs and InChIs facilitate links between articles, structures and other resources. Software developed by the CCDC (i) enables the knowledge embedded in the CSD to be applied to a range of scientific problems including aiding in the determination and refinement of future structures through free resources such as CellCheckCSD (j). The flow of data is largely represented using lamotrigine (Sridhar & Ravikumar, 2009  ), the 500 000th entry in the CSD, CSD refcode: EFEMUX01; CCDC number: CCDC 749719; DOI: 10.5517/cct54hl. Image (a) is a crystal of p-aminobenzoic acid (Sullivan & Davey, 2015) courtesy of Rachel Sullivan and Roger Davey, University of Manchester, CSD refcode: AMBNAC10; CCDC 983122; DOI: 10.5517/cc1200mq. Image (b) courtesy of Andrew Bond, University of Cambridge. |
![[Figure 6]](bm5086fig6.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
access
