RE: Data Format - GEM and 64 Mbyte datasets

1999-11-08 Thread P . G . Radaelli
Lachlan: >Is there GEM related information on available software (or portability >tools) that are being developed in parallel with the hardware so that GEM >can produce "usable" and "analyzable" data? Yes, we have a major software effort to handle these data and reduce them down to manageable s

Data Format

1999-11-08 Thread P . G . Radaelli
dear all, since standard data formats were mentioned, I would just like to draw your attention to the NeXus project, which has the (ambitious) purpose of developing a unified data format for x-rays and neutrons. http://www.neutron.anl.gov/NEXUS/ http://lns00.psi.ch/NeXus/ The NeXus format is ba

RE: But Armel, does size matter ?

1999-09-27 Thread P . G . Radaelli
>I had the impression that neutron diffraction requires a large amount of >sample. Isn't this a limitation is some cases ? This is true to a certain extent, although it depends on the complexity of the structure and on the elemental content. To get reasonable statistics at very high resolution,

RE: But Armel, does size matter ?

1999-09-26 Thread P . G . Radaelli
Hey, it looks like we are really accomplishing something with this discussion. Only three days ago, neutrons were hoplessly at the bottom of the resolution league, "one order of magnitude away" from the leader. Now, neutrons squeezed past conventional x-rays and are in hot pursuit of synchrotron

RE: As sent to the neutron mailing list

1999-09-24 Thread P . G . Radaelli
Oops. I meant http://www.ill.fr/dif/hrpd-mgo.txt Paolo

RE: As sent to the neutron mailing list

1999-09-24 Thread P . G . Radaelli
Dear All, so that we don't have to wait until Bill comes back... I sent a portion of an MgO pattern taken with HRPD to Alan, and he kindly put it on his www server: http://www.ill.fr/dif/hrpd-mgo.doc. It's a simple text file. I converted the data to 2th, using a popular synchrotron wavelength

RE: High-resolution neutrons?

1999-09-23 Thread P . G . Radaelli
>What is left is small fry and we will gladly leave it to x-rays, since >we are so much better at virtually everything else. Sorry for the half-serious joke. I really appreciate and use x-rays, but I cannot avoid thinking that synchrotron x-rays are often used in powder diffraction for their "ex

High-resolution neutrons?

1999-09-23 Thread P . G . Radaelli
Dear All, let's get some straight facts about neutron resolution. The 'important' resolution is not the 2theta FWHM, but the deltad/d FWHM. Now, everybody knows this formula: deltad/d=[(cot(theta)dtheta)^2+dlambda/lambda^2] This, combined with Bragg's law, yields: deltad/d=[d

RE: Combined neutron/x-ray refinements

1999-05-26 Thread P . G . Radaelli
Well, it looks like my "feeling" might have been wrong this time. The way you may want to go through the "tedious" proof is the following. 1) You construct the Aij matrix (also sometimes called the Hessian matrix) Aij=D^2chi^2/DxiDxj (D is the partial derivative sign. E-mail is

RE: Combined neutron/x-ray refinements

1999-05-25 Thread P . G . Radaelli
Jon Wright wrote: >I guess the degradation which is found would come from parameters which >are determined by both datasets and come out with different values in each >separate refinement. Not necessarily. In order to get the ESD, the variance-covariance matrix is multiplied by chi^2, and the

RE: HRPD (TOF) & FULLPROF ?

1999-05-20 Thread P . G . Radaelli
Alexandros Lappas wrote: >Does anybody have experience analysing HRPD (Time-of-Flight) diffraction >patterns with the FULLPROF program? >From recent discussions with Juan Rodriguez-Carvajal (April 1999), I gathered that the TOF version of FULLPROF is still rather experimental, and it does not w

RE: Combined neutron/x-ray refinements

1999-05-11 Thread P . G . Radaelli
Dear All, here is my (biased) opinion on the whole matter. 1) Intensity data: neutron powder diffraction *always* yield better intensity data than x-ray powder diffraction, including synchrotron. Contrary to popular belief, this is true not only for mixtures of heavy and light atoms, but also f