- Ifeffit - millenia.cars.aps.anl.gov

Chi in arthemis
by Eugenio Otal 19 Aug '09

19 Aug '09

Hi Scott, here I copy a part of the report: Independent points = 6.222656250 Number of variables = 4.000000000 Chi-square = 247.145092496 Reduced Chi-square = 111.193574128 R-factor = 0.017422216 Guess parameters +/- uncertainties (initial guess): amp = 6.7815290 +/- 1.4687660 (1.0000) enot = 2.2173620 +/- 2.1499920 (0.0000) delr = 0.0514640 +/- 0.0163900 (0.0000) ss = 0.0074020 +/- 0.0025220 (0.0030) I see that the R-factor is pretty good, 1.74%, amp is high cause is correlated with the coordination number and always have big errors., delr has the error of the total distance, so it is ok, but ss and enot have a a really big error, is this normal? Thanks, euG

4 5

Chi in arthemis
by Eugenio Otal 18 Aug '09

18 Aug '09

Hi Scott, Thanks for you help. Best Regards, euG

1 0

Chi in arthemis
by Eugenio Otal 18 Aug '09

18 Aug '09

Hi Scott, I forget the amp, I left the N =1, that is the mistake, sorry I have de S02 from other oxide to transfer it. I found that error bars in Ifeffit are scaled by Chi2 reduced, so should I transform the error or inform them directly as reported? Regards, euG

2 1

Chi in arthemis
by Eugenio Otal 18 Aug '09

18 Aug '09

Hi all, I see that the reports of the fits a perform in arthemis have Chi really big. The fit is really good and the Chi should be closer to 1 than to 100. The problem, is what should I report as the Chi. Uncertain in delr or ss have the same problem, are big like the results. I found the topic in the list but not a good answer to what should I report. Thanks, euG

2 1

Athena User Guide–All copies spoken for
by Julie Olmsted Cross 12 Aug '09

12 Aug '09

All 10 copies of the Athena User Guide have been spoken for. Many thanks, Julie ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ Dr. Julie O. Cross User Technical Interface APS Engineering Support Division Argonne National Laboratory 9700 South Cass Ave., Bldg. 401/B4204 Argonne IL 60439-4801 tel: 630 252 0592 fax: 630 252 7187 ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~

1 0

Re: [Ifeffit] Ifeffit Digest, Vol 78, Issue 8
by abhijeet gaur 12 Aug '09

12 Aug '09

Re ( Athena User Guide) Hello, Is it the same user guide that comes with the ATHENA software ? If not I also need a copy. Abhijeet On 8/12/09, ifeffit-request(a)millenia.cars.aps.anl.gov < ifeffit-request(a)millenia.cars.aps.anl.gov> wrote: > > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Re: Athena User Guide?FCFS (Julie Olmsted Cross) > 2. Re: Athena User Guide?FCFS (Stefano Ciurli) > 3. Re: Athena User Guide?FCFS (Julie Olmsted Cross) > 4. Athena User Guide?All gone (Julie Olmsted Cross) > 5. Re: Athena User Guide?FCFS (goodhei8(a)gmail.com) > 6. Re: Athena User Guide?FCFS (valmor) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Tue, 11 Aug 2009 14:21:16 -0500 > From: Julie Olmsted Cross <jox(a)aps.anl.gov> > Subject: Re: [Ifeffit] Athena User Guide?FCFS > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <ABF43A66-D8BB-4A49-83B4-031CE3290B06(a)aps.anl.gov> > Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed > > I just found two more, bringing the total to 12. I'll give you two. > > On Aug 11, 2009, at 1:49 PM, Matt Newville wrote: > > > I never got one.... > > > > --Matt > > > > On Tue, Aug 11, 2009 at 1:47 PM, Julie Olmsted > > Cross<jox(a)aps.anl.gov> wrote: > >> I have ten copies of the Athena User Guide leftover from the 2009 > >> APS XAFS > >> School. If you want one, send me your mailing address. First come, > >> first > >> served. > >> > >> ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > >> Dr. Julie O. Cross > >> User Technical Interface > >> APS Engineering Support Division > >> Argonne National Laboratory > >> 9700 South Cass Ave., Bldg. 401/B4204 > >> Argonne IL 60439-4801 > >> tel: 630 252 0592 > >> fax: 630 252 7187 > >> ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > >> > >> > >> > >> _______________________________________________ > >> Ifeffit mailing list > >> Ifeffit(a)millenia.cars.aps.anl.gov > >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > >> > >> > > > > _______________________________________________ > > Ifeffit mailing list > > Ifeffit(a)millenia.cars.aps.anl.gov > > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > Dr. Julie O. Cross > User Technical Interface > APS Engineering Support Division > Argonne National Laboratory > 9700 South Cass Ave., Bldg. 401/B4204 > Argonne IL 60439-4801 > > tel: 630 252 0592 > fax: 630 252 7187 > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > > > > > > ------------------------------ > > Message: 2 > Date: Tue, 11 Aug 2009 21:27:14 +0200 > From: Stefano Ciurli <stefano.ciurli(a)unibo.it> > Subject: Re: [Ifeffit] Athena User Guide?FCFS > To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <B486A028-9A31-4E68-9994-9337A62C7DCC(a)unibo.it> > Content-Type: text/plain; charset="us-ascii" > > I would like one > Stefano > > On 11 ago 2009, at 20:47, Julie Olmsted Cross wrote: > > > I have ten copies of the Athena User Guide leftover from the 2009 > > APS XAFS School. If you want one, send me your mailing address. > > First come, first served > > ______________________________ > > Stefano Ciurli > Laboratory of Bioinorganic Chemistry > http://bioinorg.agrsci.unibo.it/ > Department of Agro-Environmental Science and Technology > University of Bologna > Viale Giuseppe Fanin, 40 > I-40127 Bologna > Italy > Phone: +39-051-209-6204 > Fax: +39-051-209-6203 > > http://www.cerm.unifi.it/home/ > http://www.isa.unibo.it/ISA/ > http://www.biocomp.unibo.it/unibonet/ > > "Fatti non foste a viver come bruti, > ma per seguir virtute e canoscenza" > Dante Alighieri - Inferno - Canto XXVI > > "Ihr seid bestimmt, nicht Tieren gleich zu leben, > Nein, Tugend zu erringen und Erkenntnis" > "Ye were not form'd to live the life of brutes, > But virtue to pursue and knowledge high" > >

1 0

Athena User Guide—All gone
by Julie Olmsted Cross 11 Aug '09

11 Aug '09

~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ Dr. Julie O. Cross User Technical Interface APS Engineering Support Division Argonne National Laboratory 9700 South Cass Ave., Bldg. 401/B4204 Argonne IL 60439-4801 tel: 630 252 0592 fax: 630 252 7187 ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~

1 0

Re: [Ifeffit] Athena User Guide—FCFS
by Frantisek Majs 11 Aug '09

11 Aug '09

Franta Majs Apt 1725 124 Grande Brook Circle Wakefield RI 02879 ---- Original message ---- >Date: Tue, 11 Aug 2009 13:47:29 -0500 >From: Julie Olmsted Cross <jox(a)aps.anl.gov> >Subject: [Ifeffit] Athena User Guide—FCFS >To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > > I have ten copies of the Athena User Guide leftover > from the 2009 APS XAFS School. If you want one, send > me your mailing address. First come, first served. > > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ > Dr. Julie O. Cross > User Technical Interface > APS Engineering Support Division > Argonne National Laboratory > 9700 South Cass Ave., Bldg. 401/B4204 > Argonne IL 60439-4801 > tel: 630 252 0592 > fax: 630 252 7187 > ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ >________________ >_______________________________________________ >Ifeffit mailing list >Ifeffit(a)millenia.cars.aps.anl.gov >http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

1 0

Is it legitimate to merge transmission data with fluorescence data?
by jrkizews＠ncsu.edu 11 Aug '09

11 Aug '09

Dear XAFS community members, I have a question concerning data merge. We normally collect XAFS data in both transmission mode and fluorescence mode. We normally have to merge a few scans to enhance signal-to-noise ratio. For one particular sample, I want to know if it is legitimate to merge its transmission scans with its fluorescence scans to improve data quality? I appreciate any input. Regards. Fiona Kizewski North Carolina State University Department of Chemistry

6 6

Re: [Ifeffit] Installation of FEFF8 on IFEFFIT
by Bruce Ravel 11 Aug '09

11 Aug '09

> I have a question of the FEFF8 installation in IFEFFIT on a window XP. > I know that the IFEFFIT includes FEFF6, and I have the licence of FEFF8. > I have used IFEFFIT with FEFF6 on the window and FEFF8 in a LINUX system. > Now I want to use the FEFF6 on the windos XP. > After I unzipped the ifeffit package, I find binary files, including > feff6l.exe, in the bin directory. May I copy the FEFF8.exp file into the > directory and rename FEFF8.exe to feff6l.exe? Or is there any other way to > select different versions of FEFF from Atermis? Han, I am CCing my answer to the Ifeffit mailing list, as this is an appropriate question for the list. Artemis is quite happy using Feff8 for EXAFS analysis, although the advantage of Feff8 for EXAFS analysis over Feff6 is rather marginal. You will need to configure Artemis to use Feff8 correctly. In the Edit menu, select Edit preferences. Change the Atoms->feff_version parameter to 8. Then change the Feff->feff_executable parameter to the fully qualified location of the Feff8 executable. That is, you must type in something like "C:\Software\Feff8\feff8.exe". To the best of my knowledge, that will work correctly. B -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

2 1