Bob,
Thanks a lot for the info.
regards,
Sajeev Moorthiyedath
Cabot Corporation
5401 Venice Ave NE
Albuqerque, NM 87113
direct (505) 563 4426
fax (505) 342-2168
"Von Dreele,
At 10:26 AM 6/29/2006 +0200, you wrote:
Brian H. Toby wrote:
I am trying to convert a GSAS ESD file to a GSAS STD file
BTW, I would be surprised if FullProf does not have a way to input
intensities with uncertainties rather than assuming intensities are counts.
Indeed it does! INSTRM=10 is x
Jon Wright a écrit :
Some years ago I did see the reverse process of an x, y, esd file
being mangled by some conversion program on the way to becoming GSAS
format, but I forget the culprit. Quite surprisingly I see GSAS2CIF
also truncates, but at least only corrupts the data by a fraction of
Stephanie,
The GSAS routine REFLIST has an option to produce a "single phase ascii" file
of reflections. One of the columns in that file is FWHM. Alternatively there is
a graphic in EXPGUI (widplt) that will plot FWHM and its Gaussian & Lorentzian
contributions as a function of 2-theta.
Bob Von
Sajeev,
There is a lot of information like this in the GSAS Manual.
Bob Von Dreele
R.B. Von Dreele
IPNS Division
Argonne National Laboratory
Argonne, IL 60439-4814
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED]
Sent: Thursday, June 29, 2006 11:31 AM
To: rietveld_l
Hello,
I am trying also to calculate crystal size from GSAS, and I want to find
back the fwhm of all the peaks from their position: how is it possible?
Thanks
Stéphane Ruggeri, Ph.D.
Stagiaire post-doctoral
INRS Énergie, Matériaux et Télécommunications
1650, boul. Lionel-Boulet
Varennes (Québec)
Hi,
I am wondering if GSAS calculates the crystal size? If not how can I
calculate the crystal size? I am using a profile type 3 function (psedo
voight) and obtaining the GU,GV,GW values as 0,0, 1.27 E+04 for a Pt/C
phase respectively. The Chi-square fit is 2.164. Thankyou.
regards,
Sajeev Mo
Hold that thought.
On closer examination of the difference plot at high angles you have something
that looks like sample displacement, and refining it improves the fit, although
the values for zero point and shift become quite large. Mirrors shouldn't give
you this kind of error so make sure it
I'm not sure exactly what your description of your setup means - do you have a
single or twin mirror system? I'm hoping that it's single because your
background is way too high for a properly aligned twin mirror system. I'm
assuming that you're using GSAS given the data format.
Your pattern r
Brian H. Toby wrote:
I am trying to convert a GSAS ESD file to a GSAS STD file
BTW, I would be surprised if FullProf does not have a way to input
intensities with uncertainties rather than assuming intensities are
counts.
Indeed it does! INSTRM=10 is x, y, sigma format for fullprof where it
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