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sdpd · Crystal Structure from Powder

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2754 Armel Le Bail
armellebail Offline Send Email
Oct 12, 2011
7:56 am
Hi, Only 16 books about crystallography in the new Book Citation Index in the Web of Science : http://wokinfo.com/cgi-bin/bkci/search.cgi Only one about Powder...
2755 徐君
xujun16@... Send Email
Oct 12, 2011
8:48 am
Hi, Nice master book list. I have only read two of them as a master. So I have to borrow and study them. With my best regards, Xu Jun At 2011-10-12...
2756 Armel Le Bail
armellebail Offline Send Email
Oct 12, 2011
12:18 pm
... Not necessarily. I was mainly pointing at the fact that the list was extremely incomplete. It seems that the number of books will grow in the database,...
2757 徐君
xujun16@... Send Email
Oct 12, 2011
12:54 pm
... Thank you. :-) I got it. With my best regards, Xu Jun ... Not necessarily. I was mainly pointing at the fact that the list was extremely incomplete. It...
2758 Devendra Bhange
bhangeds Offline Send Email
Oct 13, 2011
11:52 am
Dear SDPD members, I am sorry if this mail is not related to SDPD, this is regarding the installation of EXPGUI-GSAS on windows 7 PCs. Can somebody help me out...
2759 L_Solovyov Offline Send Email Oct 15, 2011
8:06 am
Dear Colleagues, The DDM program update 1.92 with some minor bugs fixed is available at http://sites.google.com/site/ddmsuite/ and ...
2760 Armel Le Bail
armellebail Offline Send Email
Oct 15, 2011
11:29 am
... Even better than single crystal, in absolutely all cases ! A new god for powder diffraction is born. Be careful with this new religion. Armel...
2761 Lubomir Smrcok
uachsmrk@... Send Email
Oct 15, 2011
12:22 pm
Armel, "Homines, quo plura habent, eo ampliora cupiunt." Lubo...
2762 L_Solovyov Offline Send Email Oct 17, 2011
4:09 am
... From single crystal the anisotropic displacements of H-atoms are available sometimes. DDM hasn't allowed it ... yet.;-) ... I believe that scientists not...
2763 Armel Le Bail
armellebail Offline Send Email
Oct 18, 2011
1:13 pm
... Three questions (at least) need for answers for the adepts (if any) of your religion if they do not want to be cindered in this XXI century : 1- suppose...
2764 L_Solovyov Offline Send Email Oct 19, 2011
2:43 am
... A paper may be published without atoms at all. The lattice parameters and space group may be enough for some publications depending on the subject of...
2765 Armel Le Bail
armellebail Offline Send Email
Oct 19, 2011
7:18 am
... My GPS knows the ESRF location and a few trivial tricks have not escaped to my attention. But have you any protein or really complex compounds in your DDM...
2766 L_Solovyov Offline Send Email Oct 19, 2011
10:12 am
... Unrestrained refinement of 9 independent H-atoms from XRPD is already a school case? Can you give a reference to an equivalent school case? ... It's so...
2767 Armel Le Bail
armellebail Offline Send Email
Oct 19, 2011
11:55 am
... You are the expert in that domain. You may search for SDPD references before 2007 at : http://sdpd.univ-lemans.fr/iniref.html with classification of the...
2768 L_Solovyov Offline Send Email Oct 20, 2011
3:52 am
... For single crystals the problems are similar: noisy, distorted and insufficiently informative data, incomplete structure models, neglected intensity...
2769 Armel Le Bail
armellebail Offline Send Email
Oct 20, 2011
7:01 am
... I can't find who said that ? Not me. ... Fully agree with you. Is it not another way to say that H atoms are a plague and a curse (full original text...
2770 L_Solovyov Offline Send Email Oct 20, 2011
7:27 am
... It was whispered by a ghost beyond the SDPD world... ... No, H-atoms are our friends. They are, citation: "those rare and thus precious indicators of the...
2771 Armel Le Bail
armellebail Offline Send Email
Oct 20, 2011
8:51 am
... I have a theory... In your town, the room temperature in January can be as low as -58C...So, you see certainly H atoms more easily. Compare your results...
2772 L_Solovyov Offline Send Email Oct 21, 2011
3:50 am
... Dear Armel, At last you arrived at a more-or-less reasonable theory! It is, however, only 50% correct. If you check the DDM examples for H-atoms you will...
2773 Armel Le Bail
armellebail Offline Send Email
Oct 21, 2011
8:30 am
... Continuing in explaining the whole Universe (including powder diffraction) with alcool vapor effecs : Asymmetry on the old Siemens D500 diffractemeter...
2774 徐君
xujun16@... Send Email
Oct 24, 2011
2:29 pm
Dear colleagues, which kind of data is proper for Rietveld refinement? It is old topic. ;-) specifically, If I use the home diffractometer with step size 0.02...
2775 Daniel M. Toebbens
Daniel.Toebbens@... Send Email
Oct 24, 2011
2:42 pm
Dear Xu Jun, a fast answer, before some oldtimer snaps an bites your head off for asking FAQs: On 10/24/2011 4:07 PM, ?? wrote: which kind of data is proper...
2776 Alex Yokochi
alex.yokochi@... Send Email
Oct 24, 2011
4:57 pm
I would just like to add a plug for the variable counting time (see Ian Madsen reference sometime in about 1992) which is easy and can really improve your data...
2777 徐君
xujun16@... Send Email
Oct 25, 2011
2:24 am
Dear colleagues, Please do not bite my head off, crystallographers, experts. :-) Thank you for help, Daniel Többens and Alex Y. It is a very practical guide. ...
2778 Xiaodong Wang
iangie126 Offline Send Email
Oct 25, 2011
3:16 am
Just some experience sharing: If you use Bruker D8 for VCT, make sure you choose the correct script in Diffrac Commander. You may have to use Bruker raw V4...
2779 
xujun16@... Send Email
Oct 25, 2011
4:40 am
Dear Dr. Xiaodong (Tony) Wang, Thank you! It is helpful. Best regards, Xu Jun At 2011-10-25 11:16:02,"Xiaodong Wang" <iangie@...> wrote: Just some...
2780 armellebail Offline Send Email Oct 25, 2011
4:21 pm
Too late for that one. Solved from synchrotron powder data. Published in August 2011. Corresponds to compound 2 in: http://www.ncbi.nlm.nih.gov/pubmed/21739550...
2781 Daniel M. Toebbens
Daniel.Toebbens@... Send Email
Oct 26, 2011
3:40 pm
This is a late follow-up to an older discussion I found in the archives. The gist: CRYSFIRE does not run under Windows 7 anymore, which does not support 16 bit...
2782 Thomas Kerestedjian
thomas.kerestedjian@... Send Email
Oct 26, 2011
5:40 pm
I have no experience with CRYSFIRE, but I understand that your main problem is with 32 bit executables. Windows 7 Pro has a special XP mode. It is not in the...
2783 Henry Barwood
hbarwood Offline Send Email
Oct 26, 2011
7:07 pm
I'm curious. I have several programs that I run using Virtual XP, but I have to start them from within the XP shell. When you say they can be called from the...
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