Re: [Ifeffit] Peakfitting CeO2 data in Athena

2016-12-07 Thread Matthew Marcus
Ce(OH)4 is probably not a well-defined compound. I wouldn't use it. I suspect that "Ce(OH)4" is really hydrated CeO2 nanos. I've measured 30nm CeO2 nanos and they look like bulk. mam On 12/7/2016 11:53 AM, Stephanie Laga wrote: I had started with LSQ but switched to peak fitting

Re: [Ifeffit] Peakfitting CeO2 data in Athena

2016-12-07 Thread Stephanie Laga
I had started with LSQ but switched to peak fitting because I was worried about the Ce(IV) reference. I have data for bulk CeO2 and Ce(OH)4, but doesn't this have some Ce(III) impurity in it? I'm not quite sure how to account for this when I do LSQ. Another challenge I've had is in using the

Re: [Ifeffit] Peakfitting CeO2 data in Athena

2016-12-07 Thread Matthew Marcus
Instead of doing a bunch of peak fitting, try LSQ. Use CeO2 (bulk or nanos) for one reference and some Ce(III) for the other. Consistency check: see that the Ce(III) fraction is consistent over some set of Ce(III) references. Ce(III) has an assymetric white line, so it doesn't really fit a

[Ifeffit] Peakfitting CeO2 data in Athena

2016-12-07 Thread Stephanie Laga
Dear all, I am trying to extract the % Ce(III) from some CeO2 nanoparticle XAS data. I have been using moved the peak fitting function in Athena to model the XANES with an arctan background function and a series of gaussians. Looking through the literature I haven't seen too many specifics to

Re: [Ifeffit] error on installing demeter on MacOSX 10.11.6

2016-12-07 Thread Matt Newville
Hi Valerio, Hmm, that seems like some set of packages didn't update completely. What does ~> port installed |grep p5.24.*compress show? For me, it gives p5.24-compress-raw-bzip2 @2.69.0_0 (active) p5.24-compress-raw-zlib @2.69.0_0 (active) p5.24-io-compress @2.69.0_0 (active) If

[Ifeffit] error on installing demeter on MacOSX 10.11.6

2016-12-07 Thread Valerio Scagnoli
Dear all, I was trying to install demeter on my Mac with mac port and the installation seemed to run smoothly (after following the advice on the installation page!). However, when I try to start Athena from the command line I get the following error message: bash-3.2$ athena

Re: [Ifeffit] Export of data

2016-12-07 Thread Jesús Eduardo Vega Castillo
In the Artemis [data] window: data>save data in... or data>save data and fit as... or save data + marked paths as... , then you choose an option. The exported file will be text file in columns with the correspondent headers. You can import these files in any plotting tool (origin, excel...). Hope

[Ifeffit] Export of data

2016-12-07 Thread Karl-Michael Schindler
Hi Is there a possibility to export data, for example the results from the feff calculation or the fit, whether as binary or as text? At the moment we export the graph as png image and use a „datathief“ to recover the numerical data. In this context, I searched for the feff.dat files, but