Dear all, Thank you very much to the developers for this great software. I have a problem with some old SRS station 3.4 data. I cannot read in original data with athena. I enclose a data file r48683.dat )( Al K- edge). I have installed DUBBLE, but still does not want to read it. I also would like to read in data from station 9.3. This is fluorescence data with a 13 element detector and also includes E0 and E1 and I think Em. I enclose a data file, r94731.dat ( Cu K-edge). Any help would be greatly appreciated. DUBBLE.py reads in station 7.1 data. I enclose a datafile (r66946.dat). All the best and thank you for the help Michael
Hi Michael,
On Thu, Nov 17, 2011 at 5:17 AM, Michael Stockenhuber
Dear all, Thank you very much to the developers for this great software. I have a problem with some old SRS station 3.4 data. I cannot read in original data with athena. I enclose a data file r48683.dat )( Al K- edge). I have installed DUBBLE, but still does not want to read it. I also would like to read in data from station 9.3. This is fluorescence data with a 13 element detector and also includes E0 and E1 and I think Em. I enclose a data file, r94731.dat ( Cu K-edge). Any help would be greatly appreciated. DUBBLE.py reads in station 7.1 data. I enclose a datafile (r66946.dat). All the best and thank you for the help Michael
OK, there are a few separate formatting issues here. First, these files end with a line reading "END OF DATA", which ifeffit doesn't like, but which it can ignore. Second, two of the files (r94731.dat and r66946.dat) do not have data arranged so that one line is one energy point, and they have an inconsistent number of columns per line. Ifeffit usually considers line breaks to be significant. Third, one of the files (r48683.dat) has two lines with '----' starting after a comment character -- ifeffit takes such a line to signify the end of the header. Athena allows file-reading plugins to be written in perl -- I think you'll probably want to consult with Bruce about writing (or having one of these written for these files). Alternatively, you could write a program to convert these files to ones that make ifeffit's limited read_ascii() routine happy. Perhaps DUBBLE.py (I'm not familiar with that) can be made to do this conversion? Hope that helps, --Matt
On Thursday, November 17, 2011 06:17:22 am Michael Stockenhuber wrote:
Dear all, Thank you very much to the developers for this great software. I have a problem with some old SRS station 3.4 data. I cannot read in original data with athena. I enclose a data file r48683.dat )( Al K- edge). I have installed DUBBLE, but still does not want to read it. I also would like to read in data from station 9.3. This is fluorescence data with a 13 element detector and also includes E0 and E1 and I think Em. I enclose a data file, r94731.dat ( Cu K-edge). Any help would be greatly appreciated. DUBBLE.py reads in station 7.1 data. I enclose a datafile (r66946.dat). All the best and thank you for the help Michael
Hi Michael, I was on travel when you posted this to the mailing list. I have since had a chance to look into the problem. You are correct that neither Athena nor the DUBBLE pluguin can handle the examples you attached. I have started working on adapting the DUBBLE plugin to handle your other examples of SRS data (DUBBLE has for years used the same data acquisition system as the old SRS XAS beamlines). I'll let you know what I come up with. Regards, B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter
participants (3)
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Bruce Ravel -
Matt Newville -
Michael Stockenhuber