Matt said:
-- if you know (or athena can help you guess) which column should be in strictly increasing order, you can use read_data(file =... , sort = 1)
where 'sort=n' means to sort all the data so the nth column is strictly increasing. At this point, duplicate values are preserved.
This is extremely similar to what Athena already does. When you select a column in the column selection dialog as containing energy, Athena checks to see that it is strictly increasing. If not, it asks you whether you want to ignore the data or have Athena sort it. If you choose to sort it, then Athena will sort all columns such that they are non-decreasing in energy. It will then remove any data points that are not strictly increasing. This sorting is all done internally because when I first ran into the problem, I was not aware of the sort argument to read_data. Also sorting is something for which perl has a particularly expressive and flexible syntax. Athena then hands of the sorted, strictly increasing data to Ifeffit for further handling. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b, X24c, U4b 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/