Re: [Ifeffit] Silent Oxygen

2017-04-18 Thread Robert Gordon
Hi Fuxiang, Further to Bruce's note, I looked at your file. Your model splits the nearest oxygens by only 0.01A. Is that the magnitude of splitting you anticipate? Are you familiar with the resolution criteria for EXAFS? (k-range [deltak]) * (R-resolution [deltaR]) ~ pi/2 for identical near

Re: [Ifeffit] Silent Oxygen

2017-04-18 Thread Bruce Ravel
On 04/18/2017 11:10 AM, Fuxiang Zhang wrote: Hi, all, I am in studying the EXAFS of perovskite and clearly see the split of the first peak after ion irradiation. It should come from a symmetry change, so I use a tetragonal model (instead the original cubic) which contains two independent O

Re: [Ifeffit] the shortest possible K-range ,

2017-04-18 Thread Matt Newville
Hi Mahmoud, On Tue, Apr 18, 2017 at 5:11 AM, Al Humaidi, Mahmoud < mahmoud.alhuma...@student.uni-siegen.de> wrote: > Hi , > > I want to ask please what is the shortest k-range one can use for "Forward > Fourier transform" > > in my projects I used: > > Spline range k 0.0 - 9.0 > k range in