Dear Bruce, I was just wondering if you could implement saving the "flattened" Norm(E) spectra from ATHENA. I really like the plotting option for the XANES, but do my final plots always with grace... so I need to put the data in there. Would be great to have a quick option to have these data at hand... Cheers, Norbert -- Dr. rer. nat. Norbert Weiher (weiher@chem.ethz.ch) Institute for Chemical and Bioengineering - ETH Hönggerberg HCI E 117 - 8093 Zürich - Phone: +41 1 63 3 48 32
On Wednesday 25 August 2004 05:33 am, Norbert Weiher wrote:
Dear Bruce,
I was just wondering if you could implement saving the "flattened" Norm(E) spectra from ATHENA. I really like the plotting option for the XANES, but do my final plots always with grace... so I need to put the data in there. Would be great to have a quick option to have these data at hand...
Hi Norbert, I am not sure I understand what the problem is. In the File menu the "Save norm(E)" option saves the flattened data if the flatten button is on. Similarly, "Saved marked groups in norm(E)" will save flattened data for each group that has the flatten button clicked on. Just be sure, I exported some data both ways and fired up gnuplot. It looks flat to me. The flatten button is a toggle that changes the definition of norm(E) for a group. When you plot, merge, or save norm(E), the flatten button is respected for that group. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
Bruce, just found my problem - if you select a single set and do a "save norm(E)", it does what I want. but when I select multiple sets, it just saves the data which are not flattened (see picture, I created the two data sets by (i) saving the actual set as norm(e) and (ii) saving the marked set as norm(e)). Usually, I save more than one data set per file - thats why I usually use the "save marked sets as" option. Sorry for the hazzle. And btw: I really like new versions of the horae package. Especially, the parameters section in Artemis improved a lot concerning handling. Keep going! Cheers, Norbert -- Dr. rer. nat. Norbert Weiher (weiher@chem.ethz.ch) Institute for Chemical and Bioengineering - ETH Hönggerberg HCI E 117 - 8093 Zürich - Phone: +41 1 63 3 48 32
On Wednesday 25 August 2004 10:35 am, Norbert Weiher wrote:
just found my problem - if you select a single set and do a "save norm(E)", it does what I want. but when I select multiple sets, it just saves the data which are not flattened (see picture, I created the two data sets by (i) saving the actual set as norm(e) and (ii) saving the marked set as norm(e)). Usually, I save more than one data set per file - thats why I usually use the "save marked sets as" option.
You are describing a bug that existed until recently. My notes say that it was fixed in version 0.8.030. If you are using 0.8.030 and still seeing this problem, I'd like to continue this discussion off the mailing list so I can understand the problem. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
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Bruce Ravel -
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