[Ifeffit] Problems with Athena
Bruce Ravel
bravel at bnl.gov
Thu Oct 2 07:42:32 CDT 2014
On 10/01/2014 10:58 PM, Austin Krehel wrote:
> Dear IFEFFIT Representative,
Representative?? Umm... OK. That's me, I suppose :)
> I am a graduate student and am just now learning about EXAFS data
> plotting. I am having a problem with opening the data that I collected
> last month at Bulk-XANES line X11A (NSLS). I have tried the new and old
> versions of Athena, and they are both not reading the .001 files, which
> according to my professor, should be read since this has worked for him
> in the past on the old version.
> When I try opening the files, it says they "could not be read by ifeffit
> as a data file".
>
> I have attached one of the .001 files, in case that may help. And help
> or suggestions will be greatly appreciated.
Your file seems to have been altered since it was written to disk at
the beamline. Here is what the top of the file looks like:
XDAC V1.4 Datafile V1
"AsFiveStd.001" created on 8/5/14 at 15:59:30 on X-11A
Diffraction element= Si(111). Ring energy= 2.80 GeV
E0= 11867.00
NUM_REGIONS= 2
SRB= -100 -50 100
SRSS= 5 0.5
SPP= 2 2
Settling time= 0.30
Offsets= 5117.00 729.00 16629.00 0.00 0.00
Gains= 7.00 8.00 9.00 0.00 1.00
As Five standard edge scan sample pressed in kapton tape
--------------------------------------------------------------------------------
Energy I0 I Iref XIA00AsK
XIA01AsK
XIA02AsK
XIA03AsK
XIA04AsK
XIA05AsK
XIA06AsK
XIA07AsK
XIA08AsK
XIA09AsK
XIA10AsK
XIA11AsK
XIA12AsK
IntTime
11766.97378 246679.0000 1503253.0000 356315.0000
3.0000 63.0000 2.0000 1.0000 21.0000
13.0000 6.0000 2.0000 19.0000 5.0000
0.0000 3.0000 4.0000 2.0000
and so on. The problem is in the line that says
XIA01AsK
and the following 12 lines. When written at the beamline, those lines
and the one that begins with "Energy" were all on one line without any
carriage returns.
Athena relies upon Ifeffit to determine of a file can be interpreted
as data. If Ifeffit cannot read a file, then Athena cannot (unless a
plugin is written to recognize and process the particular file).
because that line is broken up in your file, Ifeffit is unable to
interpret it. Because of that, Athena thinks it's not data.
When I fix that problem by hand in a text editor, Athena has no issue
reading the data.
You have a few options:
1. Edit the file by hand to fix the line that got broken up.
2. Edit the file by hand and simply delete the problematic lines.
3. Write a little program that does either 1. or 2. for you.
4. Figure out what caused the file to be altered. If I had to
venture a guess, I would guess that you read the file in Word or
WordPad and then software "helped" you by reformatting the file.
If you have copies of the data exactly as written at the
beamline, start over from scratch and don't do whatever broke up
that line.
B
--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
Homepage: http://bruceravel.github.io/home/
Software: https://github.com/bruceravel
Demeter: http://bruceravel.github.io/demeter/
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