Hi, Does anyone have a copy of the 1962 IUCr World List of Crystallographic Computer Programs that was distributed with the November 1962 issue of Acta...
Dear Colleages: could any of you indicates the advantages of using synchroton X-ray radiation over the X-rays obtained from a conventional X-ray diffractometer...
Francisco Luis Cumbre...
pacoluis@...
Aug 11, 2007 11:43 am
2086
Hi Paco: A synchrotron beam is more collimated (parallel) and the brightness is higher. However, modern lab systems have collimating optics and newer tubes...
Carlo Segre
segre@...
Aug 11, 2007 5:17 pm
2087
Hi, Due to ICDD requirements, the PPDF name being too close to PDF is changed into P2D2 (Predicted Powder Diffraction Database). New address : ...
For those who have not seen it yet: in demonstrating the Charge Flipping strucure solution algorithm of Oszlanyi and Suto [Acta Cryst. (2004), A60, 134-141;...
Dear Rietveld users, I am using GSAS for my powder diffraction analysis. I am using the Profile function 4, from that how can i extract the Strain parameters,...
Murugesan S
muruges@...
Aug 14, 2007 4:54 am
2090
Updates below from original post: - some teaching material: Simon Billinge commentary article Structure solution of real materials: Charge flipping can help ...
Is there not some significant prior art in iterative phase refinement by an "FFT then flip" algorithm? See for example: Acta Cryst. (1996). D52, 30-42 [...
Jon Wright
wright@...
Aug 14, 2007 7:37 pm
2092
Hi, The magic of the algorithm seems reduced in case of powder data according to the Superflip manual : "...cannot really compete with the direct-space based...
I think that the author of Superflip is too modest. However, that's sure that if you cannot extract reliable amplitudes, you cannot do too much in the...
... Jobs available at the Australian Synchrotron in powder diffraction: http://www.synchrotron.com.au/content.asp?Document_ID=125 The powder diffraction...
Posted on behalf of Christian Baerlocher (currently without acces to sdpd): The author of superflip is certainly modest, but he is also honest. It is true...
Dear Rietveld useres, I need one help, I need to calibrate the machine, and instrumental parameters of our INEL diffractometer, I don't have the LaB6 powder,...
Murugesan S
muruges@...
Aug 21, 2007 7:43 am
2097
Dear all I have tried few programs for crystal structure determination using examples from X-rays and neutron constant wavelength but I do not seem to be...
Anna Llobet
allobet@...
Aug 22, 2007 9:10 pm
2098
Hi, Looking at ToF data, one sees a few isolated peaks at large d(A) values and soon a massive peak overlapping for the smallest d(A). The difficulty to solve...
Hi, Can I just point out that sweeping generalisations about time-of-flight data do no-one any favours. The real issue is the diffractometer, not the...
Hi, Sure, my comment about problems due to huge overlapping cancels if there is no overlapping, or somewhere in between huge and none, possibly. Armel...
Dear All, I am interested in knowing if Ti2S exists in hexagonal form. PDF database (mine is 1999) has this form of Ti2S, but it is in the deleted category....
Hi, See that link for obtaining very recent and nice powerpoint talks from celebrities (not me ;-) in crystal structure prediction and "design" of MOF or...
Updates below from the lastpost: VESTA (Visualization for Electronic and STructural Analysis) by Koichi Momma and Fujio Izumi : Can input the *.xplor output...
Hi, In our university, we want to try texture and stress analysis. For this purpose, I am searching this area, instruments and application notes. If you have...
Could someone please give me a bit of instruction on how to collect an instrument parameter file for a lab powder XRD instrument that I can use in GSAS? I'm...
Jim Murowchick
murowchickj@...
Oct 5, 2007 6:09 pm
2108
Brian Toby's EXPGUI site probably has some tutorials as well - but there are tutorials on the CPDW workshop website on initial bootstrapping with GSAS and ...
Dear All, I'm a new user of rieveld refinement. In my work I want to refine the structure of zeolite Si24O48 from synchrotron data at diffrent temperatures I...
Dear All, How can i get the FWHM values for individual peaks of the powder sample data. I would like the FWHM values to the Williamson Hall plot. Any ...
Murugesan S
muruges@...
Oct 9, 2007 11:56 am
2111
Hi I think the best one for this is Peakfit that will give you the FWHM for each peak. you can find more information in the following link ...
Dear SM, you may use the software Fullprof for that (http://www.ill.fr/pages/science/IGroups/diff/Soft/fp/index.html). It plots directly the WH plot and...
Hi, The race continues for the biggest structure ever determined from powder data or, at the opposite side, the smallest single crystal (both records being...
Sent on behalf of the Canadian National Committee for Crystallography http://www.cins.ca/cncc/ ... To the Canadian crystallographic community: The Canadian...
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