Leonid Solovyov wrote:
The Derivative Difference Minimization (DDM) program is now freely
available via the web:
First impressions - What a nifty idea.
Haven't given thought to all of the ramifications but it certainly does
seem to have merits. Cant wait to analyze it myself; put it
A method for the correction of the Rij parameters may be found in:
Brown, Dabkowski, McCleary, Acta Cryst. B53 (1997) 750-761
Greetings,
Alberto
Dear colleagues,
I am just wondering if there is any way to correct BVS (bond valence sum)
parameters (R0 and B) to do calculations at non-ambient
R(F^2) is a gratis parameter which is not refined. It also depends
much on the actual Fobs extraction details which may get tricky if
there are many overlapping peaks (subgroup refinement, phase
mixtures etc).
Try to get R(F^2) from RCALC after a (GSAS) powpref-genles run
with almost zero
Folks,
FYI.
R.B. Von Dreele
IPNS Division
Argonne National Laboratory
Argonne, IL 60439-4814
-Original Message-
From: Peter L. Lee [mailto:[EMAIL PROTECTED]
Sent: Friday, January 21, 2005 11:32 AM
To: Mitchell, John; Jorgensen, James D.; Mark A Beno; Von Dreele, Robert
B.; Quintana,
