Dear Alan,
Is this updated macro downward compatible with TOPAS version 5?
If yes, I would edit my topas.inc and try it.
Thanks and cheers,
Frank
On 04.09.2023 10:44, alancoe...@bigpond.com wrote:
Hi Kurt
TOPAS models absorption edges well. Page 158 of the Technical Reference
at http://www.topas-academic.net/Technical_Reference.pdf
<http://www.topas-academic.net/Technical_Reference.pdf> shows the result.
The macro in question is modifies the emission profile which is how I
think it should be modelled:
macro Absorption_Edge_Correction_Eqn(& edge, & a_white, & b_white, &
a_erf, & edge_extra)
{
modify_peak_eqn =
(
Get(current_peak) +
a_white Exp(- b_white (Get(current_peak_x) - edge)^2) / Tan(Th)
' Not necessary
' If(Get(current_peak_x) < edge, 1/Get(current_peak_x)^3, 1 )
)
(edge_extra + 0.5 (1 + Erf_Approx( a_erf (Get(current_peak_x)
- edge))) );
}
If someone spots a problem then I would be happy to know. The line
commented out is due to the fact it makes little difference to the result.
Cheers
Alan
*From:*rietveld_l-requ...@ill.fr <rietveld_l-requ...@ill.fr> *On Behalf
Of *Kurt Leinenweber
*Sent:* Monday, September 4, 2023 2:53 AM
*To:* Thomas Gegan <tom.ge...@basf.com>; Bish, David L
<b...@indiana.edu>; Shay Tirosh <stiro...@gmail.com>; Fernando Igoa
<fer.igoa.1...@gmail.com>
*Cc:* Rietveld List (rietveld_l@ill.fr) <rietveld_l@ill.fr>
*Subject:* RE: [EXT] Re: [External] Re: Step-like basline
Hi, Are these things modeled in Rietveld programs, by chance? It seems
like a lot of baggage to put in a refinement but if it makes the results
better…
* Kurt
*From:*rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>
<rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> *On
Behalf Of *Thomas Gegan
*Sent:* Sunday, September 3, 2023 9:16 AM
*To:* Bish, David L <b...@indiana.edu <mailto:b...@indiana.edu>>; Shay
Tirosh <stiro...@gmail.com <mailto:stiro...@gmail.com>>; Fernando Igoa
<fer.igoa.1...@gmail.com <mailto:fer.igoa.1...@gmail.com>>
*Cc:* Rietveld List (rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>)
<rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>>
*Subject:* RE: [EXT] Re: [External] Re: Step-like basline
I agree with a Ni absorption edge, possibly with a Kβ peak around 38° 2θ.
*Tom Gegan*
Chemist III
Phone: +1 732 205-5111, Email: tom.ge...@basf.com
<mailto:tom.ge...@basf.com>
Postal Address: BASF Corporation, , 25 Middlesex Essex Turnpike, 08830
Iselin, United States
*From:*rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>
<rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> *On
Behalf Of *Bish, David L
*Sent:* Sunday, September 3, 2023 7:08 AM
*To:* Shay Tirosh <stiro...@gmail.com <mailto:stiro...@gmail.com>>;
Fernando Igoa <fer.igoa.1...@gmail.com <mailto:fer.igoa.1...@gmail.com>>
*Cc:* Rietveld List (rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>)
<rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>>
*Subject:* [EXT] Re: [External] Re: Step-like basline
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Hello Shay,
I think it is probably related to "tube tails". You can read about this
in the literature (e.g., on the BGMN web site) and you can model it in
some Rietveld software such as Topas. You don't normally notice this but
it becomes apparent with higher-intensity peaks.
Regards,
Dave
------------------------------------------------------------------------
*From:*rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>
<rietveld_l-requ...@ill.fr <mailto:rietveld_l-requ...@ill.fr>> on behalf
of Fernando Igoa <fer.igoa.1...@gmail.com <mailto:fer.igoa.1...@gmail.com>>
*Sent:* Sunday, September 3, 2023 3:06 AM
*To:* Shay Tirosh <stiro...@gmail.com <mailto:stiro...@gmail.com>>
*Cc:* Rietveld List (rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>)
<rietveld_l@ill.fr <mailto:rietveld_l@ill.fr>>
*Subject:* [External] Re: Step-like basline
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Hey Shay,
Are you using a motorized slit during the measurement? These may open up
abruptly to compensate for the angular dependence of the footprint and
thus generate an abrupt increase in the intensity.
Hope it helps :)
On Sun, Sep 3, 2023, 8:50 AM Shay Tirosh <stiro...@gmail.com
<mailto:stiro...@gmail.com>> wrote:
Dear Rietvelders
I am attaching a zoom-in on a diffraction profile.
My question is what is the origin of the step-like profile next to a
very large reflection peak?
Is it a sample preparation problem?
Is it part of the baseline?
Thanks
Shay
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