Re: GSAS information (anisotropic microstrain)

2004-04-08 Thread Andreas Leineweber
Dear Brian, Nonetheless, the type 4 profile model has built-in constraints according to the cell class -- so it is easy to use and refines with far greater stablility that the Lxx terms. My advice to non-experts is still the following: If you suspect that you have some reflection classes havi

Re: GSAS information (anisotropic microstrain)

2004-04-07 Thread Brian H. Toby
Andreas, What you say is good to know. Nonetheless, the type 4 profile model has built-in constraints according to the cell class -- so it is easy to use and refines with far greater stablility that the Lxx terms. My advice to non-experts is still the following: If you suspect that you have s

Re: GSAS information (anisotropic microstrain)

2004-04-07 Thread Andreas Leineweber
Dear Brian, recently it was pointed out (J. Appl. Cryst. 37 (2004) 123-135) that the approach proposed by Von Dreele can have indeed - under certain circumstances and restrictions to the parameters - a physical meaning, e.g. concentration fluctuations can show up like this, and the type of ani

Re: GSAS information (anisotropic microstrain)

2004-04-07 Thread Brian H. Toby
My advice on this question is that one should not use this approach. The Stephens formalism, coded in profile type 4, is better founded by theory. See the GSAS manual and reference to Peter Stephen's J. Appl. Cryst paper from a few years back. Brian Christophe Chabanier wrote: Hello everybody,