[Ifeffit] Importing Multiple Data Sets into Athena

Daniel Whittaker daniel.whittaker at postgrad.manchester.ac.uk
Fri Sep 7 07:53:21 CDT 2012


Hi all,

I think that the issue that Bruce is referring to is due to a difference of 
operating system and programs. The data i receive, as Kathy points out, is 
absolutely fine and i have had no issue whatsoever with the beamline or the 
files it produces. So, i think it might be an idea from now for all issues 
posted to the list to be preceded with OS/programs (and potentially 
computer) details so that such problems aren't misassigned and blame (or 
problem) pointed in the wrong direction?

So in the interests of clarity and practicing my own suggestion:

Windows XP SP3, Using native Wordpad (not native Notepad - as this removes 
formatting).
NB: it would seem that other software does something similar to what Bruce 
is reporting (Win7 perhaps?).

The issue had already been overcome by the methodology as Kathy suggested. 
So thanks for that. However, i was merely pointing out the fact that group 
importing did not work as a point for 'looking at' before future releases in 
the interests of software development and improvement. That being said i 
appreciate the effort put in by the people on the lists, so thanks for the 
hard work and perseverance.

Dan

--------------------------------------------------
From: "Bruce Ravel" <bravel at bnl.gov>
Sent: Thursday, September 06, 2012 3:04 PM
To: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Importing Multiple Data Sets into Athena

> On Thursday, September 06, 2012 10:29:43 AM Daniel Whittaker wrote:
>> Hi Scott,
>>
>> I have attached 3 of the data files and the Zr foil ref scan (already
>> calibrated). I first import the reference Zr foil scan and then the 3 
>> files.
>> The Numerator for the data is column 30 and i also import the ref channel
>> where the numerator is column 7. If i choose to set ref to standard 
>> values
>> (as you would expect that to work) it fails and makes processing 
>> difficult.
>> The only way round it i see is to import each data set individually and 
>> set
>> the element, edge and value of E0 manually (for the reference - the data 
>> is
>> read correctly) before then using the "align marked groups" function to
>> align all the data to the standard Zr foil i imported at the start.
>>
>> Having played with the setting on the preprocess tab if you check the 
>> "align
>> to standard" radio button it aligns the data (not the reference channel)
>> despite the fact the "same element" radio is not checked - should the
>> preprocessing not apply to the reference channel (if present) before the
>> data channel?
>>
>> As i say it is not a huge problem and i only report it in the interest of
>> bug removal.
>
>
> I am very glad that you did so.  The only way that the programs can
> improve is if people let me know when they run into problems.  I
> cannot fix problems that I do not know about.
>
>
>
> That said, if the attached data files are representative of the files
> you bring home from the beamline, the fact that Athena's automated
> alignment feature doesn't work for you is the very least of your
> problems.
>
> Each of those three data files has 33 columns of data but have been
> wrapped so that no line is longer than 80 characters.  As a result,
> Athena cannot read these files without lots of help.
>
> Is this really how the beamline you use sends your data home with you?
> If so, they are doing you and their other users quite a disservice.
> Do you use some tool to preprocess these things before importing into
> Athena?  Or has someone written an Athena filetype plugin to be able
> to read these monstrosities?
>
> Or have the data files become damaged (perhaps by reading into and
> writing from a text editor or a word processor) before you sent them
> to me?
>
>
>
> It is certainly good practice to provide example data that
> demonstrates the bug you are reporting.  I am grateful that you
> finally did so.  I wish, though, that the data were not such a
> challenge to read.
>
>
> B
>
>
>
> -- 
>
> Bruce Ravel  ------------------------------------ bravel at bnl.gov
>
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
>
> Homepage:    http://xafs.org/BruceRavel
> Software:    https://github.com/bruceravel
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