Re: [Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin/Shelly Kelly/Abhijeet Gaur); Re: Ifeffit Digest, Vol 92, Issue 5

2010-10-07 Thread Han Sen Soo
@millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin); Re: Ifeffit Digest, Vol 92, Issue 4 Message-ID: bc995ec7-578e-4256-9d62-de5e73831...@lbl.gov Content-Type: text/plain; charset=us-ascii Hello Scott, Just to make sure I understand what you mean

Re: [Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin/Shelly Kelly/Abhijeet Gaur); Re: Ifeffit Digest, Vol 92, Issue 5

2010-10-07 Thread Scott Calvin
Not at all unusual, Han Sen. If you think about the EXAFS equation, you'll see that sigma^2 and amplitude primarily affect the amplitude of the signal, while distances affect the position of the peak in the Fourier transform (or equivalently, the spacing of peaks in chi(k)). So sigma^2 and

Re: [Ifeffit] sigma^2 values for multiple scattering paths

2010-10-06 Thread Shelly Kelly
Hi Han Sen: I agree that the small sigma2 values for the MS paths is suspect. The data is saying that it wants more amplitude from these paths than is physically possible. One way to increase the amplitude of the paths is to make the scattering angle closer to 180deg for a linear path. It is a

Re: [Ifeffit] sigma^2 values for multiple scattering paths

2010-10-06 Thread Bruce Ravel
On Wednesday 06 October 2010 01:26:55 am Han Sen Soo wrote: Hello, I briefly read through the FAQ about this but I'm not sure if it answers my question. Are there situations where the sigma^2 for a multiple scattering path can be smaller than the direct paths? So small that they're on the

Re: [Ifeffit] sigma^2 values for multiple scattering paths (Shelly Kelly/Bruce Ravel); Re: Ifeffit Digest, Vol 92, Issue 2

2010-10-06 Thread Han Sen Soo
-- Message: 4 Date: Wed, 6 Oct 2010 09:02:21 -0500 From: Shelly Kelly dr.sdke...@gmail.com To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov Subject: Re: [Ifeffit] sigma^2 values for multiple scattering paths Message-ID

Re: [Ifeffit] sigma^2 values for multiple scattering paths

2010-10-06 Thread Scott Calvin
Although I agree with the main points that Bruce makes, I do want to comment on one piece: On Oct 6, 2010, at 7:03 AM, Bruce Ravel wrote: . In no case can I understand a physical explanation for the the MS sigma^2 being smaller than for the SS. Actually, there is a physical situation

Re: [Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin); Re: Ifeffit Digest, Vol 92, Issue 4

2010-10-06 Thread Han Sen Soo
) -- Message: 1 Date: Wed, 6 Oct 2010 09:39:49 -0700 From: Scott Calvin dr.scott.cal...@gmail.com To: XAFS Analysis using Ifeffit ifeffit@millenia.cars.aps.anl.gov Cc: dr.scott.cal...@gmail.com dr.scott.cal...@gmail.com Subject: Re: [Ifeffit] sigma^2

Re: [Ifeffit] sigma^2 values for multiple scattering paths (Scott Calvin); Re: Ifeffit Digest, Vol 92, Issue 4

2010-10-06 Thread Scott Calvin
On Oct 6, 2010, at 10:41 AM, Han Sen Soo wrote: Hello Scott, Just to make sure I understand what you mean, are you saying that in your 3 atom system, the S1 and S2 atoms have relatively fixed locations but A may have large vibrational amplitudes in the A-S1 and A-S2 directions? So the