Re: Configuration of PANalytical X'pert Pro

2009-12-02 Thread Van der Lee
Dear Alexandra and Leonid, I do routinely small angle measurements starting from 0.6 degrees 2theta (Cu radiation) with the 1/32 divergence and 1/16 anti-scatter slit without beam knife, but never with the standard Panalytical stainless steel sample holder. It appears that this one gives a

stop mailing

2009-12-02 Thread Rocchina . Caivano
Please remove my name from the mailing list. Thanks

Problems with SEQGSAS

2009-12-02 Thread Caroline CURFS
Dear All, I am actually having problems using seqgsas. I have already used it (a long time ago) with some neutron data from ILL and it was working fine. Now I am trying to use it again with data from ID11 at the ESRF and it does not work. The data have been corrected and integrated using fit2d

Re: Problems with SEQGSAS

2009-12-02 Thread Caroline CURFS
Dear All! Ok! Finally i have found where the problem was : file names were too long. Hope it will be useful for somebody else Caroline Caroline CURFS wrote: Dear All, I am actually having problems using seqgsas. I have already used it (a long time ago) with some neutron data from ILL and it

RE: site occupancy

2009-12-02 Thread Leopoldo Suescun
Additionally, you can use anomalous scattering to increase the contrast between neighbors in the periodic table. This can be done at a synchrotron (some times more accessible than neutron sources). However if you have a very low dopant concentration (5%) even neutrons can be of no use if the

fractional occupancy and composition within GSAS

2009-12-02 Thread Irvin Telepeni
Hi, I'd like to know how GSAS (EXPGUI) calculates the atomic composition (through the RESULTS menu) of one phase with respect to the atomic fractional occupancy? How can I get to the same composition values from my fractional occupancies? Cheers, Irvin This message has been checked

RE: site occupancy

2009-12-02 Thread deepti kothari
yes i am working on ABO3 type system and using lab source Cu K-alpha.   This confusion arose when i tried to refine data once with dopant(~10%)  at A site and than same at B-site and both refinement have not much difference (Maximum paramters are same and having acceptable value)

Re: fractional occupancy and composition within GSAS

2009-12-02 Thread Brian Toby
The short answer here is read the code that does this, which I have not done anytime recently. What I recall is the unit cell composition is simply the sum of site multiplicities times the fractional occupancy for each site grouped by atom type. The way I come up with z is something of a

how to export data in Topas

2009-12-02 Thread alortiz
Dear colleages: I have done a refinement with Topas 4.1, and would like to export the refinement for a niccer plot. to this end, I would like to know how to save the XRD data, not the plots. I would like to be able to save the model data in a two-column file (2theta versus intensity), and the