[Ifeffit] Determining errors in R_fit
Rana, Jatinkumar Kantilal
jatinkumar.rana at helmholtz-berlin.de
Sat Nov 17 14:38:32 CST 2012
Dear Anatoly and Jason,
Thank you so much for your feedback !!
With best regards,
Jatin
________________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of ifeffit-request at millenia.cars.aps.anl.gov [ifeffit-request at millenia.cars.aps.anl.gov]
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To: ifeffit at millenia.cars.aps.anl.gov
Subject: Ifeffit Digest, Vol 117, Issue 15
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Today's Topics:
1. Determining errors in R_fit (Rana, Jatinkumar Kantilal)
2. Re: Determining errors in R_fit (Anatoly I Frenkel)
3. Re: Determining errors in R_fit (Jason Gaudet)
----------------------------------------------------------------------
Message: 1
Date: Fri, 16 Nov 2012 18:33:05 +0000
From: "Rana, Jatinkumar Kantilal"
<jatinkumar.rana at helmholtz-berlin.de>
To: "ifeffit at millenia.cars.aps.anl.gov"
<ifeffit at millenia.cars.aps.anl.gov>
Subject: [Ifeffit] Determining errors in R_fit
Message-ID: <F11168F9CA572049ADA84F3072DE5DB16D329DB2 at didag1>
Content-Type: text/plain; charset="us-ascii"
Dear Ifeffit users,
I have a very simple doubt about reporting the uncertainties in R_fit.
In the fit, I have assumed that a bond length changes by a constant fraction, *alpha* such that
Delta R = R_effective * alpha
and,
R_fit = R_effective +/- Delta R
I can get uncertainties in the fitted value of *alpha* from artemis. But the question is how to work out the uncertainties in the R_fit. Will it be same as that of *alpha* ??
Thanks in advance !!!
With best regards,
Jatin
________________________________
Helmholtz-Zentrum Berlin f?r Materialien und Energie GmbH
Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.
Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph
Gesch?ftsf?hrung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking
Sitz Berlin, AG Charlottenburg, 89 HRB 5583
Postadresse:
Hahn-Meitner-Platz 1
D-14109 Berlin
http://www.helmholtz-berlin.de
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Message: 2
Date: Fri, 16 Nov 2012 18:47:48 +0000
From: Anatoly I Frenkel <afrenke2 at yu.edu>
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Determining errors in R_fit
Message-ID:
<545F89325F51764C902D37B42C9F4D531361DAE1 at YUWEXCPM12.yuad.uds.yu.edu>
Content-Type: text/plain; charset="iso-8859-1"
If Y = A + A*X, where A is a constant, X is an independent variable, and you know that X has uncertainty Delta X, then uncertainty in Y is: Delta Y = A * Delta X.
Anatoly
________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Rana, Jatinkumar Kantilal [jatinkumar.rana at helmholtz-berlin.de]
Sent: Friday, November 16, 2012 1:33 PM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] Determining errors in R_fit
Dear Ifeffit users,
I have a very simple doubt about reporting the uncertainties in R_fit.
In the fit, I have assumed that a bond length changes by a constant fraction, *alpha* such that
Delta R = R_effective * alpha
and,
R_fit = R_effective +/- Delta R
I can get uncertainties in the fitted value of *alpha* from artemis. But the question is how to work out the uncertainties in the R_fit. Will it be same as that of *alpha* ??
Thanks in advance !!!
With best regards,
Jatin
________________________________
Helmholtz-Zentrum Berlin f?r Materialien und Energie GmbH
Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.
Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph
Gesch?ftsf?hrung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking
Sitz Berlin, AG Charlottenburg, 89 HRB 5583
Postadresse:
Hahn-Meitner-Platz 1
D-14109 Berlin
http://www.helmholtz-berlin.de
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Message: 3
Date: Fri, 16 Nov 2012 13:49:03 -0500
From: Jason Gaudet <jason.r.gaudet at gmail.com>
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Determining errors in R_fit
Message-ID:
<CANMcWtNnmXe1JVa-gVUpQjE0ksGoF1s8nEuuO2vhRG3ymY1hnQ at mail.gmail.com>
Content-Type: text/plain; charset="iso-8859-1"
Since R_eff is constant, surely all you need to do is multiply R_eff by the
uncertainty in alpha? That will be the uncertainty in delta_R and R_fit.
The program is only giving you statistically-derived uncertainty for the
values it fits; the user needs to determine how to propagate or otherwise
deal with this uncertainty.
-Jason
On Fri, Nov 16, 2012 at 1:33 PM, Rana, Jatinkumar Kantilal <
jatinkumar.rana at helmholtz-berlin.de> wrote:
> Dear Ifeffit users,
>
>
>
> I have a very simple doubt about reporting the uncertainties in R_fit.
>
>
>
> In the fit, I have assumed that a bond length changes by a constant
> fraction, **alpha** such that
>
>
>
> Delta R = R_effective * alpha
>
>
>
> and,
>
>
>
> R_fit = R_effective +/- Delta R
>
>
>
> I can get uncertainties in the fitted value of **alpha** from artemis.
> But the question is how to work out the uncertainties in the R_fit. Will
> it be same as that of **alpha** ??
>
>
>
> Thanks in advance !!!
>
>
>
> With best regards,
>
> Jatin
>
>
>
> ------------------------------
>
> Helmholtz-Zentrum Berlin f?r Materialien und Energie GmbH
>
> Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher
> Forschungszentren e.V.
>
> Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv.
> Vorsitzende Dr. Beatrix Vierkorn-Rudolph
> Gesch?ftsf?hrung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking
>
> Sitz Berlin, AG Charlottenburg, 89 HRB 5583
>
> Postadresse:
> Hahn-Meitner-Platz 1
> D-14109 Berlin
>
> http://www.helmholtz-berlin.de
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>
>
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________________________________
Helmholtz-Zentrum Berlin für Materialien und Energie GmbH
Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.
Aufsichtsrat: Vorsitzender Prof. Dr. Dr. h.c. mult. Joachim Treusch, stv. Vorsitzende Dr. Beatrix Vierkorn-Rudolph
Geschäftsführung: Prof. Dr. Anke Rita Kaysser-Pyzalla, Thomas Frederking
Sitz Berlin, AG Charlottenburg, 89 HRB 5583
Postadresse:
Hahn-Meitner-Platz 1
D-14109 Berlin
http://www.helmholtz-berlin.de
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