[Ifeffit] Athena (Demeter 0.9.26) does not import all datapoints from ascci file

Matt Newville newville at cars.uchicago.edu
Tue Mar 27 12:50:27 CDT 2018


Hi Tim,

Hm, that's all weird.  I still cannot reproduce this.  Reading Kathy's
original file, I see 275 data points in Athena.  Reading the
Larch-generated project file in Athena, I also see 275 points...  That's
running both Athena+Ifeffit on Windows or running Athena+Larch on MacOS.

One thing that might be worth looking into is whether the data being in keV
rather than eV might make a difference.  That's sort of grasping at straws,
but I'm not sure what else to try.




On Tue, Mar 27, 2018 at 10:22 AM, Prüßmann, Tim (IKFT) <
tim.pruessmann at kit.edu> wrote:

> Hi Matt,
>
>
>
> the rebin screen was just to show the number of data points.
>
>
>
> We used column 1 as energy and column 9 as numerator; data type ‘xanes’;
> no preprocessing.
>
> Overall we used identical parameters in 0.9.25 and 0.9.26
>
>
>
> The “plan” is to do the standard calibration and normalization steps, but
> we lose data points by just importing the data. In the example Kathy sent,
> we go from 275 “real” points to 109 imported points.
>
>
>
> This effect appears with all Spec files we have tested (measured at
> different times and to different beamlines -> different number of columns).
>
>
>
> Importing data from FEFF and FDMNES works, we get the same number of
> points as in the ascii file.
>
>
>
> I also tried the XAS Viewer in Larch (0.9.37), which read all points of
> the Spec file. I exported the data as Athena project and .csv
>
> Importing the project file into Athena works and the “about current group”
> function shows 275 points. However, nothing can be plotted, the plot window
> stays on the overview from the import screen.
>
> The csv file contains all 275 points, but importing to Athena again
> reduces it to 109 points.
>
>
>
>
>
> Tim
>
>
>
>
>
>
>
> *From:* Ifeffit [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] *On
> Behalf Of *Matt Newville
> *Sent:* Tuesday, March 27, 2018 2:12 AM
> *To:* XAFS Analysis using Ifeffit
> *Subject:* Re: [Ifeffit] Athena (Demeter 0.9.26) does not import all
> datapoints from ascci file
>
>
>
> Tim, Kathy,
>
>
>
> I did not respond to Kathy's earlier email, and I apologize for letting it
> falling off my radar screen.
>
>
>
> FWIW, I do not see the same problem. I can read the file (with the Spec
> plugin enabled) and plot the data.  There are 275 data points.   Reading
> multi-column files from can be tricky (should we know which columns you
> chose or what processing steps you took).   And spec files can cause no end
> of trouble.  But from the screenshots aattached, it looks like maybe Time
> meant to rebin the data.  Is that related to what Kathy was trying to do?
>
>
>
> Perhaps you could explain what steps you took in reading the data file and
> more clearly explain the problem?  Like, did you intend to re-bin the data?
>
>
>
> For sure, the plot labeled as coming from PyMCA looks strange to me ---
> the derivative of the data has clearly been smoothed from the raw data in
> the file.  I don't know what to make of that.
>
>
>
> Hope that helps,
>
>
>
> --Matt
>
>
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>
>


--Matt
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20180327/6308ca28/attachment.html>


More information about the Ifeffit mailing list