The Internet Archive has it:
http://web.archive.org/web/20051108111330/http://www.uni-tuebingen.de/uni/pki/maxent/maxent.html
The downloads work (or at least, they did for me...)
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Clayton South, Victoria
AUSTRALIA 3169
-Original Message-
From: May, Frank [mailto:frank.l@umsl.edu]
My recollection is the Cagliotti function was adapted to the x-ray case when
we had low resolution x-ray instruments and slow (or no) computers. Now that
we have high resolution instruments and fast computers, why
From what I've read of Cagliotti's paper, the V term should always be
negative; or am I reading it wrong?
Additionally, there is some good work on the use of the Cagliotti (and TCHZ)
functions in the paper by Young and Desai; it also goes over how to incorporate
sample dependent terms into the
Bob
I agree that ESD or FXY[E] appear to be the best units to use, but you can't
always dictate which format you receive your data in...
So with the STD format, the total number of counts for a point is given by
counter*intensity and the esd is given by sqrt(intensity/counter)?
Also, going
It's German... verboten == forbidden.
You should never delete the background from a diffraction pattern prior to
(Rietveld) analysis.
It changes peak positions and shapes and generally is bad.
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Clayton South, Victoria
Sorry, pressed the wrong button...
If you just want to try fitting the peaks, you could try something like this:
str
phase_name Metal_oxide
local broad 100 'crys size for hk0 and hkl
local sharp 2000 'crys size for 00l
local csL =
IF (And(H == 0,
Hi Blaise
In Bragg-Brentano mode, sample spinning does nothin for PO. This is because the
diffraction vector is normal to the sample surface, and sample spinning rotates
along this vector.
Spinning does increase your particle statistics, which almost always helps.
If you're looking at a
Couldn't the Al in the beam be due to beam spilling over the sample holder,
irrespective of a spinning sample?
.
I'd also like to echo Lachlan's comment about Y2O3. It's what we use in our lab
- if you can refine the thermal parameters to sensible values, you know you've
got all of your
You might want to have a read of this paper:
McCusker, L. B., Von Dreele, R. B., Cox, D. E., Louër, D. Scardi, P. 1999,
'Rietveld Refinement Guidelines', Journal of Applied Crystallography, vol. 32,
no. 1, pp. 36-50.
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
_
From: Whitfield, Pamela [mailto:[EMAIL PROTECTED]
The texture versus preferred orientation difference has some signficant
blurry edges from a practical point of view.
If you want it, it's texture. If you don't want it, it's preferred
orientation!
Matthew
Patrick
Do you mean like constant illumination length slit settings?
Matthew Rowles
-Original Message-
From: Patrick D. Burton [mailto:[EMAIL PROTECTED]
Sent: Sat 08/03/2008 5:54
To: rietveld_l@ill.fr
Cc:
Subject: Analysis of
Isn't GSAS able to handle XY data??
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Clayton South, Victoria
AUSTRALIA 3169
Ph: +61 3 9545 8892
Fax: +61 3 9562 8919 (site)
Email: [EMAIL PROTECTED]
Can you set up equations in FullProf?
Refine the occupancy of Ti and set occ(Fe) = 1 - occ(Ti).
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Clayton South, Victoria
AUSTRALIA 3169
Ph: +61 3 9545 8892
Fax: +61 3 9562 8919 (site)
Email: [EMAIL PROTECTED]
Assuming that your sample is stable over the temperature range, then the
temperature will only affect the cell paramaters. (and maybe crystallite
size)
Allowing them to refine should be enough to allow for good fits.
Cheers
Matthew
Matthew Rowles
CSIRO Minerals
Box 312
Winfit isn't a bad program for getting peak paramters from individual peaks,
and it's easy to use too!
http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/krumm/Software/windows/winfit/
Matthew Rowles
CSIRO Minerals
Boc 312
Clayton South, Vic. 3168, Australia
+61 3 9545 8892
http://journals.iucr.org/j/issues/2001/02/00/ks0032/ks0032.pdf
http://journals.iucr.org/j/issues/2001/02/00/ks0032/ks0032.pdf is
the paper she referenced.
Cheers
Matthew
Matthew Rowles
CSIRO Minerals - Clayton
Ph: +61 3 9545 8892
Fax: +61 3 9562 8919 (site)
Email:
Just to add more fat to the fire
Have a look at Young, R. A. Desai, P. 1989, 'Crystallite Size and
Microstrain Indicators in Rietveld Refinement', Archiwum Nauki o
Materialach, vol. 10, no. 1-2, pp. 71-90. (I can send the PDF if needs
be)
They talk about the Thompson, Cox and Hastings
Vahit
This could be what you're after:
Volume 109, Number 1, January-February 2004
Journal of Research of the National Institute of Standards and Technology
Fundamental Parameters Line Profile Fitting in Laboratory Diffractometers
R.W. Cheary, A.A. Coehlo J.P. Cline
Have a look at
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