[Ifeffit] A question about the new Artemis version
Bruce Ravel
ravel at phys.washington.edu
Wed Mar 31 08:25:01 CST 2004
On Tuesday 30 March 2004 07:03 pm, Scott Calvin wrote:
> This doesn't seem like all that unusual a scenario. Does anyone have a good
> idea of how this should be done in Artemis, or do we just have to bite the
> bullet and re-enter all the pertinent information for each sample we bring
> in (and live with the bloated project file).
I think the answer that involves Artemis alone is to bite the bullet.
However, you are the second person in the last 18 hours to ask for the
ability to clone a feff calculation. (Shelly is the other ;-) Since
it has been on my todo list for quite some time and since two of the
power-users have asked for it, I suppose it is high time to implement
it.
FWIW, I don't see project file size as a real problem here. The real
problem is the inconvenience of replicating the feff calculation
within Artemis and that doing so is error-prone.
Another possibility is to use Artemis to set up the one-data-set fit
and have it write out the Ifeffit script for that fit. Then use a
text editor and a lot of cut-n-paste to turn the one-set fit into a
multi-set fit. Then run the script from the command line.
B
--
Bruce Ravel ----------------------------------- ravel at 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)
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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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