Hi folks, I have received a few questions recently on the topic of saving data to column data files after doing a phase corrected Fourier transform. Both Athena and Artemis will do this. Let me explain how it works. ** In Athena, when you save chi(R) as a column data file for the current group it will save the phase corrected chi(R) if the button for central atom phase corrections is checked for that group. ** In Artemis, you can save chi(R) for the data, the fit, or any part of the fit. If a path has been chosen for the phase correction on the data page, then the Fourier transform will be done using that path's phase correction before writing out chi(R). ** Thus the rule for both programs is simple. If you select a phase correction, it will be applied before writing out chi(R). ** For both programs, chi(q) will likewise be written out with the phase correction is the phase correction is chosen. That is, if the phase correction is chosen, it will be applied to the forward transform and the backward transform will be done on that spectrum. ** Neither program writes out a phase corrected chi(k). ** Athena uses a central atom phase correction and no scattering atom correction. Artemis uses both a central and scattering atom phase correction, but only that of the path selected for the correction. The fit in Artemis is *always* done using the non-phase-corrected data and the non-phase-corrected feffNNNN.dat files. ** There was a recent discussion on the mailing list about doing phase *and* amplitude corrections. Neither Athena nor Artemis does that at this time. If you observe a situation where either program does not behave as advertised, let me know so I can fix it for the next release. Regards, 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 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