Re: [Ifeffit] bug in Athena

2024-01-28 Thread Noerpel, Matt
Hello Alex, There are two options in the LCF page that may help. If you don’t want any negative values try selecting “All weights between 0 and 1” and unselecting “Force weights to sum to 1”. Matt From: Ifeffit On Behalf Of Alexander Zherebker Sent: Wednesday, January 24, 2024 7:35 AM To:

Re: [Ifeffit] Bug report: Athena, multiple data export

2021-10-10 Thread Matt Newville
Hi Soyoung, On Fri, Oct 8, 2021 at 5:29 PM Soyoung Kim wrote: > I see. Thank you for the quick reply. > > But would it be difficult to program it so that it will export properly, > e.g., with multiple energy axes? > Sorry for the slight delay, and I have two answers here: In general, it

Re: [Ifeffit] Bug report: Athena, multiple data export

2021-10-08 Thread Anatoly Frenkel
" But would it be difficult to program it so that it will export properly, e.g., with multiple energy axes?" - that is what saving as unique files means. --- Anatoly I. Frenkel Professor Department of Materials Science and Chemical

Re: [Ifeffit] Bug report: Athena, multiple data export

2021-10-08 Thread Soyoung Kim
I see. Thank you for the quick reply. But would it be difficult to program it so that it will export properly, e.g., with multiple energy axes? Because when the data is plotted as a graph, it is hard to tell whether or not the x-axes are the same... And if you are processing data from someone

Re: [Ifeffit] Bug report: Athena, multiple data export

2021-10-08 Thread Anatoly Frenkel
It is not a bug. When groups have unique energy axes they should be saved in different files. Anatoly > On Oct 8, 2021, at 6:19 PM, Soyoung Kim wrote: > >  > Dear Bruce and IFEFFIT community, > > Hope all is well. I found a bug with Athena's file export function. I had two > normalized

Re: [Ifeffit] Bug report ATHENA (Demeter 0.9.24)

2016-05-16 Thread Ravel, Bruce
Sunil, You are correct. Athena does not save settings from the LCF tool. That's not so much a bug as it is a missing feature. It's on my to do list (there's a link to the to do list on the Demeter home page). I am hoping to make a new release next month ... I will try to address this

Re: [Ifeffit] Bug in Athena?

2009-11-20 Thread Zajac, Dariusz A.
...@millenia.cars.aps.anl.gov [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Scott Calvin Sent: Friday, November 20, 2009 12:48 AM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Bug in Athena? On Nov 19, 2009, at 2:59 PM, Matt Newville wrote: For this case, wouldn't it be better to measure

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Carlo Segre
symmetry? ;) Carlo On Thu, 19 Nov 2009, Zajac, Dariusz A. wrote: Dear Bruce, Dear All, maybe it is a naïve question but I want to ask and to point this problem... Windows XP. Athena 0.8.059 Sc.Linux. Athena 0.8.060 I have a set of data with refernces (one sample, many scans). I have

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Zajac, Dariusz A.
should we break symmetry? ;) darek -Original Message- From: ifeffit-boun...@millenia.cars.aps.anl.gov [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of Carlo Segre Sent: Thursday, November 19, 2009 3:35 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Bug

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Matt Newville
Is there ever a case where a merged reference channel is useful? I thought the only possible use for a reference channel was for comparing individual scans. That is, prior to merging. --Matt On Thu, Nov 19, 2009 at 6:45 AM, Zajac, Dariusz A. dariusz.za...@desy.de wrote: Dear Bruce, Dear All,

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Carlo Segre
Hi Matt: I agree. It is useful to have the reference channel from the first of the merged data pulled over as reference for the merged data but this actuallly only makes sense if the user first aligned using the reference. carlo On Thu, 19 Nov 2009, Matt Newville wrote: Is there ever a

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Scott Calvin
Hi Matt, I'm the one who requested the merged reference channel. If the data is ideal, of course only one reference scan is needed. But there are two common ways it can be nonideal that are relevant: 1) The monochromator does not hold calibration; i.e. there is an energy shift between

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Bruce Ravel
There are a few questions all mixed together here. Why does Athena make a merge of references? As Matt points out, that is an odd thing to do. I decided I wanted some kind of reference channel tied to the merged spectrum so that I could take merged data from different project files and

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Scott Calvin
Hi Bruce, On Nov 19, 2009, at 11:48 AM, Bruce Ravel wrote: Why does Athena make a merge of references? As Matt points out, that is an odd thing to do. I may be confused as to what we're talking about. Why is this an odd thing to do? It seems perfectly normal to me to want the reference

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Bruce Ravel
On Thursday 19 November 2009 01:48:49 pm Scott Calvin wrote: Why does Athena make a merge of references? As Matt points out, that is an odd thing to do. I may be confused as to what we're talking about. Why is this an odd thing to do? It seems perfectly normal to me to want the

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Matt Newville
Hi Scott On Thu, Nov 19, 2009 at 9:50 AM, Scott Calvin scal...@slc.edu wrote: Hi Matt, I'm the one who requested the merged reference channel. If the data is ideal, of course only one reference scan is needed. But there are two common ways it can be nonideal that are relevant: 1) The

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Frenkel, Anatoly
Yay! Anatoly From: ifeffit-boun...@millenia.cars.aps.anl.gov on behalf of Matt Newville Sent: Thu 11/19/2009 2:59 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Bug in Athena? Hi Scott On Thu, Nov 19, 2009 at 9:50 AM, Scott

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Webb, Adam
--Matt PS: I think that means I agree with Anatoly! Me too! :-) I like the side-effect of merging the reference when the spectra are merged. However, it is the spectra that I merge rather than the refs. The refs can be cleaner for alignment though for samples with small edges. Adam

Re: [Ifeffit] Bug in Athena?

2009-11-19 Thread Scott Calvin
On Nov 19, 2009, at 2:59 PM, Matt Newville wrote: For this case, wouldn't it be better to measure the reference separately to determine the chemical shift, and not rely on the reference channel for this purpose? How often is the reference channel both noisy AND improved by merging? That