New version of GSAS

2004-03-22 Thread Von Dreele, Robert B.
Hi, There is a new version of GSAS for Windows. The Linux one will be out in a bit. Below are lines from GSASNEWS.TXT with details of the new things & fixes in this version. In brief, there is now conjugate gradient refinement, new tables of f' & f" for 10 standard wavelengths (CoKa fans can no

Re: Philosophical vein

2004-03-22 Thread Larry W. Finger
My posting provoked the kind of response that I had hoped for. First, let me apologize for being Americo-centric. It is an easy trap to fall into. My concern is not about the lack of brain power, only the way it is supported. For example, I have worked on a joint project with Martin Kroeker

Rawplot refinement formula

2004-03-22 Thread Von Dreele, Robert B.
Hi, According to GSASNEWS.TXT from July 6,1999. "19. RAWPLOT now has the option for fitting positions, areas & shapes of up to 30 individual reflections in a powder pattern using the same profile functions available in GENLES." GSASNEWS.TXT is part of the standard GSAS distribution and is in th

Converting space group setting

2004-03-22 Thread Sung-Ho KIM
Dears all, Can anybody help me to convert B1a1(non-standard setting) into P1c1 (standard setting)? "According to A. D. Rae's report which is appeared in Acta Cryst. (1990), B46, 474-487, B1a1 can be transformed to P1c1 using new axes (a+c)/2, b, c and origin relocated to put the glide at y=0." F

Rawplot refinement formula

2004-03-22 Thread ling yang
Hi, May I ask what is the exact formula used by rawplot refinement? There are 6 parameters: pos, int, alp, bet, sig, gam, what are their meanings? If i want to compare the changes of a peak at different banks or different temperature, what is the most important parameter?   Thanks:)   Ling Y

Rietveld for alloys help

2004-03-22 Thread apu
Hi! I want to do rietveld analysis of the alloy Zr 2.5% Nb. Can anybody tell me how to incorporate the phase,occupation etc. in the rietveld analysis for the alloy system. Thanking you. Apu Sarkar Apu Sarkar Research Fellow Variable Energy Cy

Re: a question on space group

2004-03-22 Thread Favre-Nicolin Vincent
> Can anyboby tell me the difference between these two space groups? > P63m m c and P63m c m? Try the "Explore symmetry" tool @: http://cci.lbl.gov/cctbx/ You'll need to use P63/m m c and P63/m c m Without the / the symbol is wrong. -- Vincent Favre-Nicolin Université Joseph Fourier h

Re: a question on space group

2004-03-22 Thread Andreas Leineweber
It is the orientation of the m mirror axis and the c glide planes with respect to the "Blickrichtungen", directions of view, which are defined differently for each crystal system. For the hexagonal one the first one is [001], the second one is [100], the third one [120]. See page 15 of the blue

a question on space group

2004-03-22 Thread chuisy
Dear all Rietcelder, Can anyboby tell me the difference between these two space groups? P63m m c and P63m c m? many thanks, stephen