Fixing parameters in GSAS

2004-04-22 Thread chuisy
Dear all Rietvalders, Can anyone know how to delete the holding parameter (F option under the atomic parameter menu in GSAS)? since the program does not allow me to remove them even after pressing D for those variables? They are still there anyway. many thanks stephen

Fixing parameters in GSAS

2004-04-22 Thread chuisy
Dear all Rietvalders, Can anyone know how to delete the holding parameter (F option under the atomic parameter menu in GSAS)? since the program does not allow me to remove them even after pressing D for those variables? They are still there anyway. many thanks stephen

Fixing parameters in GSAS

2004-04-22 Thread Peter Zavalij
The easiest way is to use EXPGUI graphic user interface by Brian Toby. Peter Zavalij -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Sent: Thursday, April 22, 2004 5:05 AM To: [EMAIL PROTECTED] Dear all Rietvalders, Can anyone know how to delete the holding

Re: Fixing parameters in GSAS

2004-04-22 Thread Brian H. Toby
Nope -- EXPGUI does not handle the Fix option (yet). Brian Peter Zavalij wrote: The easiest way is to use EXPGUI graphic user interface by Brian Toby. Peter Zavalij -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Sent: Thursday, April 22, 2004 5:05 AM To: [EMAIL

maximum number of data points in GSAS raw files?

2004-04-22 Thread Marit Stange
Hi, I have a problem with a data file (SR-XRD data, 19400 points, 2theta; 3-60, lambda = 0.5 angstrom) The GSAS refinements will not converge. It ddiverges no matter what I do and refine (well, not the full truth but it feels like that right now :-) ) Can this have something to do with the high

Re: Fixing parameters in GSAS

2004-04-22 Thread Dr. K. Selvaraj
Dear Brian Is there a latest version of EXPGUI ? Thanks Selva On Thu, 22 Apr 2004, Brian H. Toby wrote: Nope -- EXPGUI does not handle the Fix option (yet). Brian Peter Zavalij wrote: The easiest way is to use EXPGUI graphic user interface by Brian Toby. Peter Zavalij

maximum number of data points in GSAS raw files?

2004-04-22 Thread Von Dreele, Robert B.
Dear Marit ( others), The current limit is 9 points - that's not your problem. Bob Von Dreele -Original Message- From: Marit Stange [mailto:[EMAIL PROTECTED] Sent: Thu 4/22/2004 9:36 AM To: [EMAIL PROTECTED] Hi, I have a problem with a data file (SR-XRD data, 19400 points, 2theta;

Fixing parameters in GSAS

2004-04-22 Thread Peter Zavalij
Brian is right there are no F (holding atomic parameters in EXPGUI). I messed F up with V. However I found no problem to remove them using D. Simply type D # where # is number of holding parameter. To check list of holding parameters (better before and after D) type L. Peter Zavalij

no new EXPGUI yet

2004-04-22 Thread Brian H. Toby
Dr. K. Selvaraj wrote: Dear Brian Is there a latest version of EXPGUI ? Thanks I am trying to find some free time to track down a few EXPGUI bugs. Once they are caught, I'll put together a new release of EXPGUI combined with the latest version of GSAS for windows. After that, then Mac OSX,

Fixing parameters in GSAS

2004-04-22 Thread chuisy
Dear all, well I do think it works ok. but i don't know why the held parameters are still there when i go back there again after doing the POWERPREF, GENLE. However, I create an new EXP file and input all things back, it resumes ok. thank you very much for your kind attention. stephen