RE: Full proof
Title: Untitled-1 편지 감사합니다. 저는 [EMAIL PROTECTED] 이메일주소 사용자 입니다 저에게 편지를 보내시려면 처음 한 차례의 인증이 완료되어, 저의 주소록에 귀하가 등록이 되어야만, 저에게 정상적으로 메일을 전송할 수 있습니다. 본 인증 이후 저의 주소록에 등록되면,그 후 발송되는 메일은 인증과정이 생략됩니다 경고: 30일 이내에 인증번호를 전송하지 않을 경우, 보관된 메일이 삭제되오니, 본 메일 확인 후, 꼭 인증번호를 입력해 주시기 바랍니다. Thank you for your email. This is [EMAIL PROTECTED]. Please complete the verification so that I can receive your email. “After finishing this verification, you can be in my address book forever and won't need to do it again.” Warning: you must confirm to deliver the mail, or it will be droped on the 30th day!
Full proof
Dear all, Does anybody know about the program Full proof used for refinement? Will you please give details about this. Thanks Smita Thosar
RE: CIF format for powder work
Title: Untitled-1 편지 감사합니다. 저는 [EMAIL PROTECTED] 이메일주소 사용자 입니다 저에게 편지를 보내시려면 처음 한 차례의 인증이 완료되어, 저의 주소록에 귀하가 등록이 되어야만, 저에게 정상적으로 메일을 전송할 수 있습니다. 본 인증 이후 저의 주소록에 등록되면,그 후 발송되는 메일은 인증과정이 생략됩니다 경고: 30일 이내에 인증번호를 전송하지 않을 경우, 보관된 메일이 삭제되오니, 본 메일 확인 후, 꼭 인증번호를 입력해 주시기 바랍니다. Thank you for your email. This is [EMAIL PROTECTED]. Please complete the verification so that I can receive your email. “After finishing this verification, you can be in my address book forever and won't need to do it again.” Warning: you must confirm to deliver the mail, or it will be droped on the 30th day!
CIF format for powder work
Afternoon all After spending over 2 days making up a single file, I'd like to hear some other opinions on the practical aspects of CIF files for structures from powder data. This is partly a moan from trying to get a 11000 line file to pass the CheckCIF when all of the items it complains about are actually there from what I can tell. Although optimizing data collection using VCT-type approaches is nice from a statistics point of view, it's absolute hell when it comes to creating the CIF file, and multiple phases just piles on the grief. I almost wish I hadn't bothered with the internal standard. Is there something a little wierd when the only powder program that outputs reasonably detailed CIF files is GSAS? Editing these things by hand is a complete pain in the *! I think I've spent longer creating the CIF file than I did to index, solve and refine the structure. I'm sure that a number of you will have thoughts on the matter! :-) Roll on weekend. Pam
Re: Jmol
>I run the page http://icsd.ill.fr/icsd/help/CIF-help.html and all work fine >and I get the structure of YBaCuO superconductor, but i didn't understand >how to change the .cif file, for example one saved on my hard disk. Gianluigi, you can display any CIF file in ICSD using the search form eg http://icsd.ill.fr/icsd/index.php?action=Search&elements=cu+o+h&elementc=5 Click on the Demo option in the log-in box, and then on any of the "Struct.Formula". This ICSD interface was designed to display CIF files in the database, not your own CIF files, but I will see if I can implement that. Alan. _ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm _
Re: Jmol
Dear Alan excuse me if I ask you for your help but I still have problems with Jmol. I run the page http://icsd.ill.fr/icsd/help/CIF-help.html and all work fine and I get the structure of YBaCuO superconductor, but i didn't understand how to change the .cif file, for example one saved on my hard disk. I tried to open a .cif file directy with the internet browser but what I get is an opening with the notes editor of the ascii content. Could you give me any hints, please? Cheers Gianluigi Gianluigi Marra EniTecnologie S.p.A - Istituto Guido Donegani Via Fauser,4 - 28100 Novara (NO) - Italy Tel. : +39 0321 447288 - Fax: +39 0321 447378 Mob: +39 338 9990564 email :[EMAIL PROTECTED] -- EniTecnologie S.p.A Sede legale in San Donato Milanese (MI) Via Felice Maritano 26 Web: www.enitecnologie.it Capitale Sociale Euro 28.612.000,00 i.v. Codice Fiscale e Partita IVA 07562850151 R.E.A. Milano n. 1166593 VAT id n. IT07562850151 Società soggetta all'attività di direzione e coordinamento dell'Eni S.p.A. Società con unico socio -
Re: Jmol and automatic drawing of co-ordination polyhedrae
Robert O. Gould wrote: >One polyhedron, two polyhedra, what's a polyhedrae when it's at home? Oh dear, I hope you are not going to start another "cognoscenti" debate Bob. I don't use "polyhedron" in crystallography because by definition a crystal lattice does not contain a single polyhedron, but various types of polyhedra. I use "polyhedrae" to mean the family of all such polyhedra. I wanted to make the specific point that although it may be easy to construct individual polyhedra, such as a network of SiO4, it is useful to automatically construct all types of polyhedra in an arbitrary structure. If we were to insist on strict declension rules, we would still be writing Latin, rather than various flavours (flavors?) of English. Alan. _ Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48 +33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm _
