Re: Cagliotti and Other Issues

2009-03-23 Thread Alan Hewat
> According to the ccp14 news site the wiki (I guess from apparent lack > of interest) was recently deactivated after a ccp14 web server upgrade. In practice, people use whatever is available in the refinement programs (sometimes blindly :-) The authors of those programs have already spent conside

Re: Cagliotti and Other Issues

2009-03-23 Thread Vincent Favre-Nicolin
Hi, > I wonder if we should, as a community, put some of this stuff on > wikipedia, or another such place. In other words, distill the > community's collective knowledge in a single place that can be updated > in the future, and also curated for correctness also by the community. > What a

Re: Cagliotti and Other Issues

2009-03-23 Thread Leonid Solovyov
Dear Simon, I think it would be nice to have an open web-resource summarizing good practice of full-profile refinement, especially if it is supported by real diffraction data for, say, simple widely available standards (quartz, silicon, corundum etc.) measured at various diffractometers and fi

RE: Cagliotti and Other Issues

2009-03-22 Thread Davor Balzar
Dear All: Indeed, despite some more advanced approaches to modeling diffraction line shapes, the good, old Cagliotti function is still in use probably for historical reasons (as it is the case with many other things in sciences). However, to be fair to (practically all major) Rietveld programs, th

RE: Cagliotti and Other Issues

2009-03-22 Thread Matthew.Rowles
-Original Message- From: May, Frank [mailto:frank.l@umsl.edu] >My recollection is the Cagliotti function was adapted to the x-ray case when >we had low resolution x-ray instruments and slow (or no) computers. Now that >we have high resolution instruments and fast computers, why d