CHEKCELL: Graphically determining most likely cells and spacegroups from powder diffraction data. (Note: Chekcell should still be considered a beta test...
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L.M.D.Cranswick@...
Apr 8, 2000 3:31 am
Apologies for another post, but there is a minor update of the previously mentioned Check for Windows Powder Graphical Indexing Helper tool by Jean Laugier and...
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Hervé Brequel
brequel@...
Apr 11, 2000 5:33 pm
Dear all, just a brief message to let you know that I am new on the SDPD list. I am working on silicon oxycarbide glasses SiCx O2(1-x) ideally and as a...
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Yuri Ravello
ipencn.gob.pe!yravell...
Apr 11, 2000 6:10 pm
unsubscribe...
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L.M.D.Cranswick@...
Apr 14, 2000 2:47 am
(for people handling organics and organometallics, the following may be of interest) Tutorials are viewable on using the new Platon features for it acting as...
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L.M.D.Cranswick@...
Apr 15, 2000 7:56 pm
There is a new version of the Chekcell for Windows powder indexing helper program (as well as an update version of the celref unit cell refinement program for...
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Armel Le Bail
armel@...
Apr 17, 2000 8:05 am
The ESPOIR 3.00 Monte Carlo code can locate up to 4 independent "objets" (rigid fragments or molecules and/or groups of independent atoms) from powder...
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Armel Le Bail
armel@...
Apr 18, 2000 11:42 pm
Hi, Improving the efficiency of molecule location software or structure solution starting from random configurations programs like ESPOIR may just be a...
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L.M.D.Cranswick@...
Apr 24, 2000 9:07 pm
There is a new tutorial on the CCP14 site for Solving an Organic Structure from Powder Diffraction Data using freely available software (example using the...
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L.M.D.Cranswick@...
Apr 27, 2000 3:56 am
Hope this is not considered too much off topic. Though the two most recent programs that are Linux available are both for solving structures from powders: ...
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omar
omabdelkader7@...
Apr 27, 2000 6:47 am
Dear Friends: I accept. Omar _______________________________________________________ Get 100% FREE Internet Access powered by Excite Visit...
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Armel Le Bail
armel@...
Apr 27, 2000 7:42 am
Following many suggestions (from Lachlan Cranswick, Jean-Marc Le Meins, thanks to them), the ESPOIR code was modified for being slightly more user-friendly. -...
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Armel Le Bail
armel@...
May 3, 2000 7:04 am
Hi, I would be curious to know what are the search-match programs used along the ICDD clinics. The first week of the SDPD Internet Course is devoted to...
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John Faber
faber@...
May 3, 2000 4:06 pm
The ICDD offers clinics in XRF and XRD. Details can be found on our web site: www.icdd.com For XRD, we offer: Session I - Fundamentals of X-ray Powder...
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L.M.D.Cranswick@...
May 4, 2000 3:23 am
As WinGX links to many useful single crystal type structure solution programs - that can be applied to powder problems - am also posting here. WinGX also has...
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L.M.D.Cranswick@...
May 6, 2000 1:08 am
There is a new version of CHEKCELL for Windows Powder Indexing Helper Software available on the web. This is part of the LMGP Suite by Jean Laugier and...
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Dr. Michael Berndt
berndt@...
May 16, 2000 12:08 pm
Dear Endeavour users, the beta test phase for Endeavour has been extended to the end of July. Therefore an updated version can be obtained from our web site ...
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L.M.D.Cranswick@...
May 16, 2000 8:12 pm
... I have been testing out the latest pre-release version of Chekcell - mainly to help get rid of some bugs out related to Array errors (of which the...
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L.M.D.Cranswick@...
May 18, 2000 7:16 pm
A new bugfix and feature version of Chekcell is available on the web. This is a graphical powder indexing helper tool and part of the LMGP suite by Jean...
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L.M.D.Cranswick@...
May 26, 2000 5:10 am
There is are new addition to the LMGP suite by Jean Laugier and Bernard Bochu called "Truecell". Truecell searches for more symmetric, higher symmetry cells...
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Georges Denes
gdenes@...
May 26, 2000 6:51 pm
Hi: I have the reverse problem: one superstructure reflection forces me to quadrupole the three parameters, i.e. a, b and c of an orthorhombic basic cell,...
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L.M.D.Cranswick@...
May 26, 2000 7:22 pm
... In the case of the Crysfire Suite - have you tried using all 7 applicable indexing programs on this data (ito, treor, dicvol, taup, lzon, fjzn and kohl)? ...
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Georges Denes
gdenes@...
May 26, 2000 8:56 pm
Thank you for the answer. I have not tried the the Crysfire Suite on this problem yet. I thought there might be a simpler way of deriving a smaller cell from...
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L.M.D.Cranswick@...
May 26, 2000 9:02 pm
... Sorry for using the jargon - yes - deleting some of the weak intensity peaks could be invenstigated if using the available indexing programs in Crysfire...
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Georges Denes
gdenes@...
May 26, 2000 9:09 pm
Thank you very much for the clarification. Georges ==========================================================================...
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Armel Le Bail
armel@...
May 27, 2000 2:37 pm
... Using words such as "superstructure reflection" would mean that the substructure was determined, but you did not say if the substructure was determined. In...
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Neeraj
neeraj@...
May 27, 2000 3:38 pm
Hello everybody, I have a problem. I have an extended structure in which the framework structure is negatively charged. I do have as guest species counter...
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Armel Le Bail
armel@...
May 27, 2000 4:37 pm
... If not already done, perform some valence bond calculation and see if there is not some problem in another place than your K atom position which has few if...
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Neeraj
neeraj@...
May 28, 2000 1:55 pm
Thanks a lot for your suggestion Prof. Le Bail. I'll surely try to do these bond-valence calculations. I'm not sure if there is any chance at all to have Cl...
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Armel Le Bail
armel@...
May 28, 2000 2:38 pm
... Without data I can only give general advice ;-). But I can tell stories like unexpected reactions with containers during synthesis or pollution of the...
