Re: RIET: R-factors variation for bond-restrained vs unrestrained refinements

2001-04-16 Thread gregor
Lachlan, As data may be poor for many reasons, results may be unstable in many ways. In my experience, elimination of the restraints in the final refinement cycles gives always some change in parameters, most time small but sometimes it happens that a homeless atom begins to wander/vanish

Re: R: Quartz and others

2001-04-16 Thread Ariel . Bacci
Dear Maurizio: How do you do? It is interesting to contact people who work in cement industries! Do you determinate clinker phases by XRD? I want to know if you would detail me your method to prepare the samples (standards and unknown ones). I want to determinate CO2 because we add limestone

RE: new GSAS (EXPGUI)

2001-04-16 Thread Bob Von Dreele
Larry, I knew about this but was hoping that there was a way within Windows to keep the window open. Bob At 06:53 PM 4/14/01 -0700, you wrote: Bob, At 08:06 AM 4/12/01 -0600, you wrote: 2) is it correct that using PC-GSAS the windows automatically close after the program finish? From my point

problem with gsas for linux

2001-04-16 Thread Joost van Duijn
Hi all I've just installed the lates version of GSAS for linux. I followed the instuctions given by Bob and it seemed to install without any difficulties, however every time I want to put in an atom the program crashes and gives me the following message: Give atom editing command (?,$,I,S,X) i

RE: Size/Strain Round Robin - 1st Report

2001-04-16 Thread Davor Balzar
Dear Leonid and others: Let me comment on two points that were, I think, raised in your message: (i) Whether to keep round-robin results anonymous or not; (ii) How "good" the results actually are. First of all, if anyone chooses to publish his own results on the Web or otherwise, he/she, of