Hi, Can you recommend me a program for indexing and unit cell refinement. I need program, which reads peak positions and starting values for unit cell...
616
Guilhem DEZANNEAU
guilhemdezanneau@...
Jun 5, 2001 3:09 pm
Hi, I recommend you the program CELREF from B. Bochu and J. Laugier. it is available at the ccp14 web site (www.ccp14.ac.uk) in the option download software ...
617
Guilhem DEZANNEAU
guilhemdezanneau@...
Jun 5, 2001 3:09 pm
Hi, I recommend you the program CELREF from B. Bochu and J. Laugier. it is available at the ccp14 web site (www.ccp14.ac.uk) in the option download software ...
618
Guilhem DEZANNEAU
guilhemdezanneau@...
Jun 5, 2001 3:10 pm
Hi, I recommend you the program CELREF from B. Bochu and J. Laugier. it is available at the ccp14 web site (www.ccp14.ac.uk) in the option download software ...
619
Armel Le Bail
armel@...
Jun 7, 2001 12:39 pm
An interesting paper to read : =========================================== Problems crystallizing for drugmakers. To be read in the Chicago Tribune 04/06 ...
620
lmollica@...
Jun 7, 2001 1:14 pm
Hi! My name is Luca Mollica, I’m an undergraduate student of Milan University, working on a project about high-critic-temperature superconductors...
621
Carlo U. Segre
segre@...
Jun 7, 2001 1:39 pm
Indeed, we are trying to get these companies involved in using our beamlines at the Advanced Photon Source for just this purpose. Carlo ... -- Carlo U. Segre...
622
R. A. Young
r.young@...
Jun 7, 2001 3:39 pm
Ddear Luca, ... problem may well be surface rrougness, It is often a big problem when "Bragg-Brentano geomtery" is used (flat specimen; incident and difracted ...
623
leosol@...
Jun 8, 2001 9:33 am
... Dear Luca, Problems in refining temperature factors may result from correlations between them if the powder data are not sufficiently informative for...
624
Lachlan Cranswick
L.M.D.Cranswick@...
Jun 8, 2001 7:28 pm
Ian Swainson's tutorial: "Fireside Guide to Rigid Bodies: Rigid Body Constraints in GSAS" is now available on the web as a PDF file (and zipped PDF file) via:...
625
Armel Le Bail
armel@...
Jun 9, 2001 4:07 pm
Hello, It seems that the long awaited book "Structure Determination from Powder Diffraction Data" is in press. Though nothing is found at the Oxford University...
626
Lachlan Cranswick
L.M.D.Cranswick@...
Jun 13, 2001 9:43 pm
There is a summary of available software to convert single crystal HKL files to "pseudo"-powder diffraction patterns at: ...
627
Armel Le Bail
armel@...
Jun 18, 2001 12:12 pm
Hello, In Scientific Computing World, issue 58, May/June 2001, pages 18-19, Tom Wilkie, new COO of Accelrys (formed from the merger of MSI, Synopsys, Oxford...
628
Greg Beis
bgreg@...
Jun 18, 2001 5:09 pm
Dear all, I have a question concerning ways of protecting air sensitive samples. I am doing powder diffraction on some extremely air sensitive compounds. For ...
629
pstephens@...
Jun 18, 2001 5:18 pm
First, are you confident that mylar is providing sufficient protection? We (and many others) use the thinwalled glass capillaries distributed (in the US) by...
630
Kurt Leinenweber
KURTL@...
Jun 18, 2001 5:41 pm
Hi all, I generally prefer to use a dry cell with the Kapton or mylar away from the sample, so it is not in diffracting position, and perpendicular to the...
631
Van den Berghe Sven
svdbergh@...
Jun 19, 2001 7:16 am
I also favour the solution provided by Dr. Leinenweber. We have designed our own sample holders. They consist of a regular powder sample holder onto which a...
Dear all, Accelrys, a new company formed by Molecule Simulations, Oxford Molecular, Synopsis and GCG is happy to announce the release of Reflex Plus 1.2. ...
634
Eva Dova
eva@...
Jun 20, 2001 3:20 pm
Hi, could someone please inform me if there are more Rietveld refinement programs (besides GSAS) with planar-restraints option available? Thanks, Eva Dova...
635
Jonathan WRIGHT
wright@...
Jun 21, 2001 8:19 am
Eva, If you are after soft restraints as opposed to rigid constraints then in theory any program which does distance restraints can do planar restraints as...
636
Luca
lmollica@...
Jun 24, 2001 5:47 pm
Comopdissimo Asus Jumperfree. Grazie ai 2 slot per memorie RIMM si possono installare fino a 1 GB di memoria. Descrizione Tecnica: M/B slot 1 ATX; chipset...
637
Lachlan Cranswick
L.M.D.Cranswick@...
Jun 24, 2001 6:14 pm
According to Norton's Antivirus the previous Email from lmollica@... had a virus infected executable attached (most likely of the automatic-Emailing...
638
Armel Le Bail
armel@...
Jun 25, 2001 12:09 pm
The new computer program MCS is described into : "The Monte Carlo method for finding missing atoms in solving crystal structures from powder diffraction data...
639
Armel Le Bail
armel@...
Jun 26, 2001 8:53 am
Ph.D. Thesis Student (m/f) Subject: Crystal Structure Solution from Powder Diffraction Data http://www.esrf.fr/jobs/Research/student-CFR277.html Deadline: 15...
640
Bouaricha, Salim
salim.bouaricha@...
Jun 28, 2001 2:14 pm
Hi everyone, We intend to buy an X-ray diffractometer, which allows us to do pole figures as well as studying phase transformations upon heating under...
641
maginn@...
Jul 10, 2001 11:02 am
===================================================== Dear Colleague, CCDC is pleased to announce the beta release of its new crystal structure visualiser...
642
S. Prokic
sinisa@...
Jul 10, 2001 3:20 pm
Can anybody, from his own (good) experience, suggest a program package, preferably multy-platform oriented, for 3D (so, not 2D + colour!) visualizing of very...
643
Daniel Chateigner
daniel.chateigner@...
Jul 10, 2001 3:50 pm
... May be Origin, used it already for 1M points in 3D, kind of long but nice. daniel Quantitative Texture Analysis Internet Course: ...
644
Lachlan Cranswick
L.M.D.Cranswick@...
Jul 14, 2001 5:42 am
There is a new version of Brian Toby's EXPGUI interface for GSAS (which includes the Liveplot program) - which runs on Windows and UNIX. Besides the ability to...
