[Ifeffit] New user to EXAFS

Matt Newville newville at cars.uchicago.edu
Thu Oct 7 10:00:35 CDT 2004


First, if you remove the last line of the file:


The data in this file will be read just fine by Ifeffit/athena.

Second, if you add any of the following characters: '#', '%', ';' 
to the first non-blank character on the 'header' lines:
 #SRSSTN='ex1a',SRSPRJ='xrsws7p1',SRSEXP='exafs   ',
 #SRSTLE='KFe3                                                       '
 #SRSCN1='80K     ',SRSCN2='two     ',SRSCN3='three   ',

the header lines will be kept as strings -- not a big deal, but 

Those steps seem easy enough that a simple filter script (in perl,
bash, or python or whatever)  could be written to convert
Daresbury files to a format easily read into Ifeffit, athena, or
sixpack. In principle, ifeffit source code could be changed to
support this format, but it seems close enough that a simple
filter would be better.

Finally, I couldn't tell exactly what the columns in the file 
were. It looked like the first column might have been 
monochromator angle or steps, not energy.  If 
that's the case, you might  want to look at

for hints about how to convert steps to energy.

Hope that helps,


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