The database you want is at the International centre for diffraction data, icdd.com , and look in the Powder Diffraction File, PDF . I have never used it myself, and I imagine you need to query it with a diffraction pattern, however it can be parsed. Taking a simile of a pattern extracted from diffraction images, intended for protein crystal diffraction, may not be simple, as there often is preferred orientation, which gives lumps of high intensity around the ring. But it might be sufficient for 'phase recognition'. CDS is intended for curated, refined, single crystal structures, an extremely useful resource, but not for what you have in mind. Good Luck.
Pierre Rizkallah ******************************************************* Dr Pierre Rizkallah, Senior Lecturer Structural Biology Institute of Infection & Immunology, Sir Geraint Evans Building, School of Medicine, Heath Campus, Cardiff, CF14 4XN email: rizkall...@cardiff.ac.uk phone: +44 29 2074 2248 http://www.cardiff.ac.uk/people/view/126690-rizkallah-pierre -----Original Message----- From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Peer Mittl Sent: 02 December 2019 09:51 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Powder diffraction database Could someone please give me some advice on how to query a publicly available powder diffraction database? Upon (protein) crystallization we always get large spherulites of an inorganic compound and I would like to know what it is. It should be possible to use the scattering angles of these spherulites (its definitely not ice) to query a powder diffraction database. But which database (e.g. CSD) and how? All the best, Peer ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://eur03.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2Fwebadmin%3FSUBED1%3DCCP4BB%26A%3D1&data=01%7C01%7Crizkallahp%40CARDIFF.AC.UK%7Cd8f14c3c7d4a4f4eebbb08d7770d325f%7Cbdb74b3095684856bdbf06759778fcbc%7C1&sdata=vjw%2BuUs5CCIHiw%2Fkk4lcxvLXsC3GCIpZG8n1P6KuLSU%3D&reserved=0 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
