Re: [Ifeffit] Constraining values in Artemis fit

2018-08-23 Thread Bruce Ravel
fully it was helpful nonetheless.... B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beamline Scientist, 06BM (BMM) Building 743, Room 114 Upton NY, 11973 Homepage:http://

Re: [Ifeffit] Ifeff calculation

2018-08-15 Thread Bruce Ravel
ps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beaml

Re: [Ifeffit] Demeter on ubuntu 14.04

2018-08-08 Thread Bruce Ravel
anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beamline Scientist, 06BM (BMM) Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.gi

Re: [Ifeffit] Find white line position

2018-08-02 Thread Bruce Ravel
st regards, Hiroshi Oji -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beamline Scientist, 06BM (BMM) Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.githu

Re: [Ifeffit] Basic questions about the preliminary data processing in Athena

2018-07-27 Thread Bruce Ravel
. Whether you want to do one, the other, both, or neither depends upon the beamline and the type of data ensemble you have measured. This /is/ explained in the user manual. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] window 10

2018-07-11 Thread Bruce Ravel
ribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beamline Scientist, 06BM (BMM) Building 743, Room 114 Upton NY, 11973 Homepag

[Ifeffit] copper fluoride

2018-07-10 Thread Bruce Ravel
Hi all, I wonder if anyone has a spectrum of copper fluoride, CuF2, that they are willing to share. This would be a big help for my undergraduate student's summer research project. Thanks! B -- Bruce Ravel bra...@bnl.gov National Institute

Re: [Ifeffit] Artemis Error

2018-04-19 Thread Bruce Ravel
l.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114

Re: [Ifeffit] install for mac error

2018-04-03 Thread Bruce Ravel
on the Mac. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Beamline:https://www.bnl.gov

Re: [Ifeffit] install for mac error

2018-04-03 Thread Bruce Ravel
see those warnings and don't understand why they would show up on a different system. That said, I can think of a couple ways to suppress those warnings, but it is something someone would have to volunteer to test for me. B -- Bruce Ravel bra...@bnl.gov

Re: [Ifeffit] Problem building latest demeter on Debian 32bit Stretch

2018-03-30 Thread Bruce Ravel
. Well... neither am I, but that's what the question was B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] Problem building latest demeter on Debian 32bit Stretch

2018-03-30 Thread Bruce Ravel
)? Thanks for the help so far! -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Beamline:https

Re: [Ifeffit] Problem building latest demeter on Debian 32bit Stretch

2018-03-30 Thread Bruce Ravel
Al Kwiatkowski kwia...@phys.iit.edu ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel ---

Re: [Ifeffit] Athena crashes on windows10

2018-03-28 Thread Bruce Ravel
: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Beamline:

Re: [Ifeffit] Report a bug

2018-03-19 Thread Bruce Ravel
t@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Scien

Re: [Ifeffit] Error in Atoms output

2018-02-27 Thread Bruce Ravel
slightly different numbers for the undoped V2O3 compared to the 1970 paper. I have attached a feff.inp file that I think is correct. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II

Re: [Ifeffit] Artemis having trouble

2018-02-09 Thread Bruce Ravel
also made a new tag and new release on Demeter's github page. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] How to use Artemis with feff85L

2018-01-12 Thread Bruce Ravel
uce, Do you foresee that (in a not far future) Artemis may be adapted so that it can use the results of feff8.5L? All the best, El 12/09/2017 a las 19:11, Bruce Ravel escribió: Feff8L is not properly integrated into Artemis yet.  Sorry.  I have a new beamline these days.  It's hard to find time to w

Re: [Ifeffit] How to use Artemis with feff85L

2018-01-12 Thread Bruce Ravel
(in a not far future) Artemis may be adapted so that it can use the results of feff8.5L? All the best, El 12/09/2017 a las 19:11, Bruce Ravel escribió: Feff8L is not properly integrated into Artemis yet.  Sorry.  I have a new beamline these days.  It's hard to find time to work on the softw

Re: [Ifeffit] data table for larch data group

2017-12-22 Thread Bruce Ravel
l work on that. Cool. I was working on it this morning, but didn't like my solution. Hence the question. > I'd also like to be able to sensibly handle columns of non numeric data. Maybe that's too separate a topic Not this topic but a very good idea nonetheless. B -- Br

[Ifeffit] data table for larch data group

2017-12-22 Thread Bruce Ravel
Matt, If I read an ascii file with read_ascii() like so: a = read_ascii(file) The "a" group has a data attribute which contains the entire data table as a 2D array. It also has 1D arrays for each column from the data table. Those 1D arrays have attribute names taken from the column

Re: [Ifeffit] current-amp recommendation

2017-11-14 Thread Bruce Ravel
mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] Hephaestus: Absorption Data Source

2017-11-13 Thread Bruce Ravel
ore we had software tools for such chores. I am not saying that the values in setgam.f are wrong -- just not as precise as you might imagine. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group

Re: [Ifeffit] How to use Artemis with feff85L

2017-09-13 Thread Bruce Ravel
On 09/13/2017 09:35 PM, Matt Newville wrote: Then again, maybe Demeter does come with a working feff8l, and I just wasn't aware of it. Not yet. :( B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group

Re: [Ifeffit] Ifeffit Digest, Vol 174, Issue 8

2017-08-17 Thread Bruce Ravel
On 08/17/2017 05:16 PM, Bruce Ravel wrote: That's a thumbs-up from me, Hiroyuki. Carmelo set out to use Larch specifically to address the problem of processing many MANY files. I think Athena and PrestoPronto could both have a good place in anyone's toolbox. Although I was thrilled

Re: [Ifeffit] Ifeffit Digest, Vol 174, Issue 8

2017-08-17 Thread Bruce Ravel
so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: How to use Larch as backend for Athena and Artemis on Windows (Bruce Ravel) 2. Re: How to use Larch as backend for Athena and Ar

Re: [Ifeffit] How to use Larch as backend for Athena and Artemis on Windows

2017-08-16 Thread Bruce Ravel
.log, Athena still uses ifeffit as backend. perl version: v5.18.2 backend: ifeffit Should I compile Demeter package by myself to use the Larch backend? Or, is there any "switch" to use Larch? Thanks in advance, ASAKURA, Hiroyuki -- Bruce Ravel -

[Ifeffit] Demeter on Windows with Inkscape (and possibly other programs)

2017-08-10 Thread Bruce Ravel
this month. Cheers, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https://github.com

Re: [Ifeffit] Exporting Curves (as Data rather than Images)

2017-06-26 Thread Bruce Ravel
Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Tech

Re: [Ifeffit] FEFF8/FEFF9 in Demeter​

2017-06-16 Thread Bruce Ravel
://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https

Re: [Ifeffit] nonsensical negative values / restrictions

2017-06-16 Thread Bruce Ravel
_ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchr

Re: [Ifeffit] Calculating Ce oxidation state at the L3 edge

2017-05-16 Thread Bruce Ravel
under the peaks will change, introducing systematic error. It would be interesting to compare this to linear combination analysis to see if you get the same answers HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synch

Re: [Ifeffit] Error importing data into Athena

2017-05-03 Thread Bruce Ravel
/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] Silent Oxygen

2017-04-18 Thread Bruce Ravel
and amplitude parameters accordingly. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software

Re: [Ifeffit] Information content from Athena for Hamilton test?

2017-04-11 Thread Bruce Ravel
ot certain that is especially well-justified, but it seems like a reasonable approximation. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepag

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Bruce Ravel
ing or a linux-typo in the program somewhere? Don't know. Was there any context? B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:h

Re: [Ifeffit] Conflicting FEFF calculation

2017-04-04 Thread Bruce Ravel
-- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https://github.com/bruceravel Demeter

Re: [Ifeffit] Conflicting FEFF calculation

2017-03-28 Thread Bruce Ravel
hing went awry, but I don't know if it is an error of the program or of the user. I can't fix a problem I can't observe. I understand that this is not the answer you were looking for. I am simply not seeing the problem you are reporting. B -- Bruce Ravel --

Re: [Ifeffit] Multiple data set fit limit

2017-03-24 Thread Bruce Ravel
lem (maybe partially) since you wrote: On 03/08/2017 10:53 AM, Bruce Ravel wrote: Well . a multiple data set fit using larch runs to completion and reports sensible values for parameters, but does not manage the data sets correctly. One obvious sign that something has gone wrong is the after-fit plo

Re: [Ifeffit] Conflicting FEFF calculation

2017-03-24 Thread Bruce Ravel
. You will need to find a way to demonstrate to me better how to see what you are seeing. Perhaps if you saved Artemis project files that I could then open on my own computer B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] [Question about XANES] Hello I'm a graduate student in Korea

2017-03-17 Thread Bruce Ravel
lenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/hom

Re: [Ifeffit] Ifeffit Digest, Vol 169, Issue 9

2017-03-15 Thread Bruce Ravel
of a crystallography paper makes some non-standard choice, Artemis won't know how to deal with it. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage

Re: [Ifeffit] Data export and coordination number

2017-03-13 Thread Bruce Ravel
) be expressed as 'guess' parameters (Artemis allows only numerical values for N)? This has been discussed many times on this mailing list. You cn find that by searching the archives. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] Space group type in Artemis

2017-03-13 Thread Bruce Ravel
http://bruceravel.github.io/demeter/documents/SinglePage/bugs.html B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://brucer

Re: [Ifeffit] Multiple data set fit limit

2017-03-10 Thread Bruce Ravel
productive, then I am just going to stop responding. http://bruceravel.github.io/demeter/documents/SinglePage/bugs.html B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114

Re: [Ifeffit] Multiple data set fit limit

2017-03-08 Thread Bruce Ravel
On 03/08/2017 10:53 AM, Bruce Ravel wrote: Well . a multiple data set fit using larch runs to completion and reports sensible values for parameters, but does not manage the data sets correctly. One obvious sign that something has gone wrong is the after-fit plot attached. Yikes

Re: [Ifeffit] Multiple data set fit limit

2017-03-08 Thread Bruce Ravel
On 03/08/2017 09:37 AM, Bruce Ravel wrote: On 03/08/2017 09:31 AM, Matt Newville wrote: Can Artemis use Larch? Yes. B Well . a multiple data set fit using larch runs to completion and reports sensible values for parameters, but does not manage the data sets correctly. One obvious

Re: [Ifeffit] Multiple data set fit limit

2017-03-08 Thread Bruce Ravel
On 03/08/2017 09:31 AM, Matt Newville wrote: Can Artemis use Larch? Yes. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] Multiple data set fit limit

2017-03-08 Thread Bruce Ravel
). That does not seem to be true. I just ran a three-data-set fit on my Ubuntu 16.04 machine. If you need to me to do something, you will need to submit a more informative bug report. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

[Ifeffit] downloading Demeter

2017-03-01 Thread Bruce Ravel
/02/28/amazon-aws-s3-outage-is-breaking-things-for-a-lot-of-websites-and-apps/ -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] Limitations of maximum number of points in a data file in Athena

2017-03-01 Thread Bruce Ravel
. Your questions, as asked, is vague and open-ended. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home

Re: [Ifeffit] Units for various parameters of ‘feffNNNN.dat’ file

2017-02-28 Thread Bruce Ravel
and interpreted as radians. And I forgot about that page in the Larch manual. It's great that Matt captured that in the modern documentation. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group

Re: [Ifeffit] Units for various parameters of ‘feffNNNN.dat’ file

2017-02-28 Thread Bruce Ravel
mis manual. HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https://

Re: [Ifeffit] command buffer input

2017-02-22 Thread Bruce Ravel
://bruceravel.github.io/demeter/documents/Artemis/monitor.html#the-command-buffer Does it help to resize the window? B On 02/21/2017 03:03 PM, Karl-Michael Schindler wrote: Am 21.02.2017 um 20:17 schrieb Bruce Ravel <bra...@bnl.gov>: OK you didn't tell us exactly what you tried to do, you

Re: [Ifeffit] command buffer input

2017-02-21 Thread Bruce Ravel
list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology

Re: [Ifeffit] Calculation of metal concentration (and hence density) from Edge Jump

2017-02-21 Thread Bruce Ravel
University, Tokyo-to Japan ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel

Re: [Ifeffit] Trigonometric Function in GDS

2017-02-06 Thread Bruce Ravel
. ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute

Re: [Ifeffit] XEAFS fitting problems

2017-01-31 Thread Bruce Ravel
hanks Fuxiang Zhang ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra..

Re: [Ifeffit] GNU plot crashes

2017-01-31 Thread Bruce Ravel
n/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https://github.com/b

Re: [Ifeffit] delR and sigma2 models for multiple Scattering Paths

2017-01-18 Thread Bruce Ravel
sigma^2s usually can only be approximated by constraint with the SS sigma^2s. https://speakerdeck.com/bruceravel/discussion-of-the-fes2-exafs-analysis-example?slide=6 HTH, B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology S

Re: [Ifeffit] error when fitting in Artemis

2017-01-04 Thread Bruce Ravel
any kind of working knowledge of McAfee or any other AV software, I would be open to a suggestion for how to fix this. Is it a file /name/ problem -- should phase.bin be called something else? Is there something in the phase.bin file that triggered McAfee? Any wisd

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

2017-01-03 Thread Bruce Ravel
contains the absorbing element, then it will have an impact on the XAS data. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage

Re: [Ifeffit] Ifeffit Digest, Vol 166, Issue 12

2016-12-22 Thread Bruce Ravel
ated: When I look at Site.pm on my linux box, from line 134 on, it is almost all purple. z and utag are highlighted in red, as is $self on line 138. The file looks normal on github, but if I copy it, these colour changes manifest. I normally associate blue with comments, purple with text strings, green for $self

Re: [Ifeffit] Ifeffit Digest, Vol 166, Issue 12

2016-12-21 Thread Bruce Ravel
available at this time. To use Feff's polarization, you have to choose a polarization vector appropriate to the cluster as written. Or, I suppose, write your own tool to rotate the cluster to a more convenient orientation. B -- Bruce Ravel bra...@bnl.gov

Re: [Ifeffit] Ifeffit Digest, Vol 166, Issue 12

2016-12-21 Thread Bruce Ravel
with the crystal lattice and the I4/mmm has the atoms rotated. FEFF sees a difference, and I would take the Immm result as the correct one based on the positions of the atoms in the cluster relative to the axes. -R. On 12/21/2016 6:49 AM, Bruce Ravel wrote: On 12/19/2016 11:01 PM, Robert Gordon wrote

Re: [Ifeffit] Ifeffit Digest, Vol 166, Issue 12

2016-12-21 Thread Bruce Ravel
rotate the polarization vector by 45 degrees ... I guess I have always considered FEFF's polarization card to be an a posteriori addition to the feff.inp file -- i.e. a decision that the user makes after using Atoms to convert crystal data to a cluster in feff.inp. B -- Bruce Ravel

Re: [Ifeffit] Web Atoms 1.8 vs Demeter 0.9.26: feff output are not same

2016-12-16 Thread Bruce Ravel
I only investigated at the level of running feff on each one and examining the first few dozen items in the path list, it seems these two feff input files yield identical results. So ... what's the problem? B -- Bruce Ravel bra...@bnl.gov National

Re: [Ifeffit] Problems with gnuplot graphics on Mac OS 10.12.1

2016-12-09 Thread Bruce Ravel
://bruceravel.github.io/demeter/documents/SinglePage/macinstallation.html B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

Re: [Ifeffit] error message when trying to reopen Artemis file

2016-12-02 Thread Bruce Ravel
On 12/02/2016 09:01 AM, Bruce Ravel wrote: Your cif file triggered a very specific bug in my software that has nothing to do with your recent difficulties. Had you picked almost any other cif file for any other material, you would have been fine. I am guessing you chose this one: http

Re: [Ifeffit] error message when trying to reopen Artemis file

2016-12-02 Thread Bruce Ravel
so you can try if you can open it on your artemis many thanks marcus On 01/12/2016 19:26, Bruce Ravel wrote: On 12/01/2016 01:20 PM, mfehse wrote: and am now able to launch the athena and it seems to work, however i still get the error message: "Could not find Larch Server -- falling

Re: [Ifeffit] problems installing athena et al under ubuntu 16.04 LTS

2016-12-01 Thread Bruce Ravel
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743

Re: [Ifeffit] struggling to install demeter under ubuntu 16.04

2016-12-01 Thread Bruce Ravel
gracefully recognizing that you do not have Larch installed. If you don't want to be looking at the head of the main branch, then you could download the zip file for the most recently tagged release: https://github.com/bruceravel/demeter/tree/0.9.25 B -- B

Re: [Ifeffit] struggling to install demeter under ubuntu 16.04

2016-12-01 Thread Bruce Ravel
up Athena, it uses Ifeffit. Or put the "export" line in your .bashrc to make it persist the next time you log in. B On 12/01/2016 01:18 PM, Bruce Ravel wrote: On 12/01/2016 12:57 PM, Juan de la figuera wrote: Is there a switch in demeter to select the backend? Or in other wo

Re: [Ifeffit] struggling to install demeter under ubuntu 16.04

2016-12-01 Thread Bruce Ravel
in your ~/.bashrc file B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:https

Re: [Ifeffit] struggling to install demeter under ubuntu 16.04

2016-12-01 Thread Bruce Ravel
ot; any ideas what might be the problem? That seems to be saying that Graphics::GnuplotIF is not installed. It should have been installed when you did the "./Build installdeps" step. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] your mail to the ifeffit mailing list

2016-11-30 Thread Bruce Ravel
this cpan/ perl/ demeter installation is probably the trickiest thing i have ever done, so please excuse my lack of experience -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743

Re: [Ifeffit] Athena bug

2016-11-29 Thread Bruce Ravel
heckbutton in the groups list)? Since I am having trouble reproducing the problem, it would help if you could give me a click-by-click recipe for reproducing the problem. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology S

Re: [Ifeffit] Athena bug

2016-11-29 Thread Bruce Ravel
plot. Kind regards, Sinead Rowe ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel

Re: [Ifeffit] Problems with gnuplot graphics on Mac OS 10.12.1

2016-11-29 Thread Bruce Ravel
and ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Instit

Re: [Ifeffit] error on installing demeter on MacOSX 10.9.5

2016-11-24 Thread Bruce Ravel
Nice, France 0492076362 christophe.denau...@unice.fr <mailto:christophe.denau...@unice.fr> -- -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group a

Re: [Ifeffit] Athena crashing with "Larch_Server not found"

2016-11-14 Thread Bruce Ravel
install.txt). What is the problem now? Im very sorry for not being able to solve it myself! Frederik, Not sure. At the command line, in the directory where you are running "./Build test" could you do the following command instead: prove -bv and capture /all/ the scree

Re: [Ifeffit] Athena crashing with "Larch_Server not found"

2016-11-14 Thread Bruce Ravel
v/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 H

Re: [Ifeffit] athena LCF issue

2016-11-08 Thread Bruce Ravel
@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science

Re: [Ifeffit] Athena and "norm" file groups

2016-10-17 Thread Bruce Ravel
tp://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.githu

Re: [Ifeffit] General question

2016-10-14 Thread Bruce Ravel
. Propagating the uncertainty in this case is trivial: delta( 3.0 + delr) = delta(3.0) + delta(delr) 3.0 is a constant, so the error bar in the path length is the same as the error bar in the variable. HTH, B -- Bruce Ravel bra...@bnl.gov National Institute

Re: [Ifeffit] Artemis crash on import

2016-10-13 Thread Bruce Ravel
nia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room

Re: [Ifeffit] Smoothing aligned data in Athena

2016-09-29 Thread Bruce Ravel
ist.ac.jp> ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards an

Re: [Ifeffit] Ni(I), Ni(II), and Ni(III) Reference XAS required

2016-09-20 Thread Bruce Ravel
possibly know which standards you are looking for. As always, vague, open ended questions are unlikely to get a response. Clear, concise questions usually do. Please read: http://bruceravel.github.io/demeter/documents/SinglePage/help.html B -- Bruce Ravel

Re: [Ifeffit] artemis doesn't read user's epsilon(k)

2016-09-16 Thread Bruce Ravel
This has been fixed and pushed to the head of the GitHub repository. The fix will be included in the next Windows installer. B On 08/29/2016 09:55 AM, Bruce Ravel wrote: Victor, You are correct. That is shockingly broken. I'll let you know when and how it gets fixed. B On 08/28/2016

Re: [Ifeffit] Saving Bug

2016-09-12 Thread Bruce Ravel
xplicit recipe of mouse clicks so I can reproduce it on my computer. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://brucer

Re: [Ifeffit] Help in background removal with Athena

2016-09-06 Thread Bruce Ravel
nough" data range to make a useful interpretation of the EXAFS. 200 eV is not a lot -- that will leave you with only a small handful of independent measurements in your data, possibly not even enough to reliably determine a first shell bond length. B -- Bruce Ravel --

Re: [Ifeffit] Phase correction not working in Athena

2016-08-31 Thread Bruce Ravel
ing the FT for the full phase shift is a chore that cannot be done until something is known about them. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973

Re: [Ifeffit] artemis doesn't read user's epsilon(k)

2016-08-29 Thread Bruce Ravel
://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114

Re: [Ifeffit] pgplot and ifeffit installation on current linux systems

2016-08-26 Thread Bruce Ravel
github.io/>https://manjaro.github.io/ Best regards, Anselm ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Re: [Ifeffit] Demeter Installation issues

2016-08-22 Thread Bruce Ravel
millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at N

Re: [Ifeffit] Athena interpolation when removing mono glitches

2016-08-12 Thread Bruce Ravel
.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http://bruceravel.github.io/home/ Software:

Re: [Ifeffit] Statistical errors in linear combination fits

2016-08-11 Thread Bruce Ravel
amounts compared to any reasonable estimate of the statistical error. Not so easy with Ifeffit, quite easier with larch. It's on my to do list, but has not yet been implemented in Athena. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

2016-08-09 Thread Bruce Ravel
e up the stand-alone GUI app. I acknowledge that the web app that died last January was widely used and that I am an unredeemable lay-about for not recreating it. But your criticism is a bit unfair, Matthew. B -- Bruce Ravel bra...@bnl.gov National In

Re: [Ifeffit] Converting PDF files to CIF files for usage in Artemis

2016-08-08 Thread Bruce Ravel
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room

Re: [Ifeffit] Amorphous

2016-08-08 Thread Bruce Ravel
and extract a 3d configuration. Artemis does not even try to do that. B -- Bruce Ravel bra...@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 743, Room 114 Upton NY, 11973 Homepage:http

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