[Ifeffit] Find white line position

[Hiroshi OJI]

Dear all,

I have a question about one of the useful function, "find white line
position" in Athena.

Could anyone tell me how Athena find the white line position by this
function? In other words, I would like to know the algorithm to find the
white line position in Athena.

Thank you very much for your help, in advance.

Best regards,

Hiroshi Oji


-- 

Hiroshi Oji, PhD.
NUSR & AichiSR, Japan
E-mail: h@nusr.nagoya-u.ac.jp

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[Ifeffit] 回复： Making N (coordination number) a variable.

[wangshaof...@iae.ac.cn]

i think you shoud first determine the accurate debyewaller factor the the cn number.发自我的华为手机 原始邮件 主题：Re: [Ifeffit] Making N (coordination number) a variable.发件人：Anatoly Frenkel 收件人：XAFS Analysis using Ifeffit 抄送：Make it 1 in the N window and make amp*N _expression_ in the S02 window instead. Then use N as a coordination number (fix or vary it).Anatoly
---

Anatoly I. Frenkel 

ProfessorDepartment of Materials Science and Chemical Engineering

Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 

Email:  anatoly.fren...@stonybrook.eduhttp://you.stonybrook.edu/frenkel

Joint Appointment:

Chemistry Department, Brookhaven National LaboratoryUpton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494Email: fren...@bnl.govhttps://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp

Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNLhttp://you.stonybrook.edu/scc2---

On Wed, Aug 1, 2018 at 11:07 AM, M Solo  wrote:HelloIs there a way in artemis to make N, coordination number, a variable to be used in GDS window? I do realize that N and ss are closely linked and do very similar things in the fit, but it seems i may need fractional (average) coordination number for one of the paths, and am fine fixing ss to see where N levels off. Thank you very much.Alex Solov
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Re: [Ifeffit] Making N (coordination number) a variable.

[Robert Gordon]

Or just swap...set N's to be the So^2 from a known coordination standard 
and define an amp for each shell...
e.g. So^2 = 0.8 from standard so all N's set to 0.8, and shell 1 had 
amp1 in the So^2 position defined as guess,

shell2 has amp2, etc

On 2018-08-01 8:15 AM, Anatoly Frenkel wrote:
Make it 1 in the N window and make amp*N expression in the S02 window 
instead. Then use N as a coordination number (fix or vary it).

Anatoly

---
Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical Engineering
Stony Brook University
Stony Brook, NY 11794, Ph: 631-632-2751
Email: anatoly.fren...@stonybrook.edu 


http://you.stonybrook.edu/frenkel

Joint Appointment:
Chemistry Department, Brookhaven National Laboratory
Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494
Email: fren...@bnl.gov 
https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp
Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL
http://you.stonybrook.edu/scc2
---

On Wed, Aug 1, 2018 at 11:07 AM, M Solo > wrote:


Hello
Is there a way in artemis to make N, coordination number, a
variable to be used in GDS window? I do realize that N and ss are
closely linked and do very similar things in the fit, but it seems
i may need fractional (average) coordination number for one of the
paths, and am fine fixing ss to see where N levels off.

Thank you very much.

Alex Solov

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[Ifeffit] Demeter - Athena Warning, crashing

[Alida Perez Fodich]

Hello, I'm new to Athena and after following the steps to install Demeter
on my mac when I run the command to launch Athena I get a warning message
with the following error:

10:57:05: Name "Demeter::Templates::PT" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

10:57:05: Name "Demeter::Templates::S" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

10:57:05: Name "Demeter::Templates::D" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

10:57:05: Name "Demeter::Templates::T" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

10:57:05: Name "Demeter::Templates::F" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

10:57:05: Name "Demeter::Templates::DS" used only once: possible typo at
/opt/local/lib/perl5/vendor_perl/5.26/Text/Template.pm line 572, 
line 236.

After this, the only option is to press ok and the program crashes.

I have updated to latest version of high Sierra (10.13.6) before installing
Xcode (9.4.1) and MacPorts (2.5.3). I also tried some of the quick fixes on
Athena documentation but it seems to be a different problem. Does anyone
have an idea of what could be wrong?

Alida.
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Re: [Ifeffit] Making N (coordination number) a variable.

[Anatoly Frenkel]

Make it 1 in the N window and make amp*N expression in the S02 window
instead. Then use N as a coordination number (fix or vary it).
Anatoly

---
Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical Engineering
Stony Brook University
Stony Brook, NY 11794, Ph: 631-632-2751
Email:  anatoly.fren...@stonybrook.edu

http://you.stonybrook.edu/frenkel

Joint Appointment:
Chemistry Department, Brookhaven National Laboratory
Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494
Email: fren...@bnl.gov
https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp
Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL
http://you.stonybrook.edu/scc2
---

On Wed, Aug 1, 2018 at 11:07 AM, M Solo  wrote:

> Hello
> Is there a way in artemis to make N, coordination number, a variable to be
> used in GDS window? I do realize that N and ss are closely linked and do
> very similar things in the fit, but it seems i may need fractional
> (average) coordination number for one of the paths, and am fine fixing ss
> to see where N levels off.
>
> Thank you very much.
>
> Alex Solov
>
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[Ifeffit] Making N (coordination number) a variable.

[M Solo]

Hello
Is there a way in artemis to make N, coordination number, a variable to be
used in GDS window? I do realize that N and ss are closely linked and do
very similar things in the fit, but it seems i may need fractional
(average) coordination number for one of the paths, and am fine fixing ss
to see where N levels off.

Thank you very much.

Alex Solov
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