How to output correlation matrix in GSAS

2004-11-30 Thread Sang-Heon Shim
Dear Experts, This might be an FAQ. Where (in which file) can I find correlation matrix in GSAS? Regards, Dan Shim

Re: Rigid body constraints on perovskite structured materials

2004-11-12 Thread Sang-Heon Shim
. The trick will be considering what happens to the linknig O-atoms. Best, Bob Von Dreele ____ From: Sang-Heon Shim [mailto:[EMAIL PROTECTED] Sent: Thu 11/11/2004 6:42 PM To: [EMAIL PROTECTED] Dear experts, I wonder if the rigid-body constraints of GSAS can be used for

Rigid body constraints on perovskite structured materials

2004-11-11 Thread Sang-Heon Shim
Dear experts, I wonder if the rigid-body constraints of GSAS can be used for the polyhedra which are linked each other, such as octahedra in perovskite structured materials. Or is the application of the rigid-body constraints strictly restricted to isolated polyhedra in crystal structures? Th

GSAS question

2001-03-27 Thread Sang-Heon Shim
Dear Expert, I want to plot background subtracted calculated and observed histogram data using other softwares (e.g., IGOR). hstdmp gives me 0's in background column (I probably did something wrong). Would you let me know how I can get background subtracted histogram dat

Meaning of phase fraction parameters in GSAS

1999-07-28 Thread Sang-Heon Shim
Hello, everyone I am sorry for FAQ. What is the meaning of phase fraction parameter in GSAS? Is it volume fraction or weight fraction (even something else)? Thank you. -- Dan -- Sang-Heon Dan Shim Department of Geosciences Princeton

GSAS with EDS data

1999-04-28 Thread Sang-Heon Shim
I am analyzing energy dispersive x-ray diffraction data. It looks to me that GSAS only supports Gaussian function for EDX data. Anyway I have big problem to fit profile function. After some point, calculated peaks won't be broadened, so that I have bad fitting situation. Further running

GSAS with energy dispersive data

1999-04-27 Thread Sang-Heon Shim
Hello, GSAS experts, I have energy dispersive x-ray diffraction data from NSLS X17C. I would like to try GSAS to read this data file and do some refinements. I would like to know how can I prepare data file and instrument file. If I can get examples, I would appreciate.