Re: [Ifeffit] Fwd: about sigma2 for exafs fitting

2017-01-04 Thread Shaofeng Wang
Dear Scott, I have learned the Hamilton test. However, this method seems not suitable to distinguish our results because the Nvar are same for the two fittings (3 when S02 was fixed). So the b value should be zero and the calculator on the website http://www.danielsoper.com/statcalc/calculator

Re: [Ifeffit] Fwd: about sigma2 for exafs fitting

2017-01-04 Thread Shaofeng Wang
Dear Scott, Thanks for your explaination. All the samples were measured at 77K using a homemade cryogenic box. I will try to do the Hamilton test according to your book. Best, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science

[Ifeffit] Fwd: about sigma2 for exafs fitting

2017-01-04 Thread Scott Calvin
Shaofeng has given me permission to repost her question here on the ifeffit mailing list. It is quoted below my response. Dear Shaofeng, As Bruce and I said before, a sigma2 of 0.0007 A^2 is not impossible, although it indicates less disorder than is typically present. Your attached table does

Re: [Ifeffit] error when fitting in Artemis

2017-01-04 Thread Bruce Ravel
On 12/22/2016 12:11 PM, George Sterbinsky wrote: I have attached an Artemis project. Upon opening the project, and clicking the fit button the error in the attached log file is generated and the fit is not run. Looking at the history, fits have been run previously without error. The error message

Re: [Ifeffit] Ifeffit Digest, Vol 167, Issue 3

2017-01-04 Thread Raj kumar
except Yb in two environments, one surrounded by mere > oxygen > >> (in precise oxygen-Hydrogen; due to disorder one may expect a single > peak) > >> and another one in YbVO4 environment. With this info and for reasonable > >> fit, I have used

Re: [Ifeffit] Segmentation fault: 11

2017-01-04 Thread Matt Newville
Hi David, Can you let us know which version you are using? I don't see that problem with artemis on OS X. On Wed, Jan 4, 2017 at 5:48 AM, David Sherman wrote: > I often have artemis crash on OS X with segmentation fault 11. It seems > to happen simply when I click on one on the windows. > >

[Ifeffit] Calculation of SPOIL value for the reconstruction of standard spectra

2017-01-04 Thread Montarges-pelletier Emmanuelle
" Content-Transfer-Encoding: quoted-printable Mime-Version: 1.0 (1.0) Dear all I have performed PCA on a set of 13 XAS spectra, and tried to validate the m= odel compounds or standards using the Target Transform function on ATHENA (d= emeter 09.22). I could get the TT coefficients for every stand

[Ifeffit] Segmentation fault: 11

2017-01-04 Thread David Sherman
I often have artemis crash on OS X with segmentation fault 11. It seems to happen simply when I click on one on the windows. David M. Sherman Professor of Geochemistry School of Earth Sciences University of Bristol Bristol BS8 1 RJ UNITED KINGDOM Office: +44(0)117-954-5446 Mob: +44(0)750-348-43

Re: [Ifeffit] Ifeffit Digest, Vol 167, Issue 2

2017-01-04 Thread Raj kumar
Hi Scott, I would like to add an extra point to the previous message. Yes, i am getting a large uncertainty for the second so2 (2.04 +/- 1.36). Regards, Raj On 3 January 2017 at 21:32, Raj kumar wrote: > Hi Scott, > > Thank you very much for your prompt response. EXAFS measurement was done > a