Hi Scott,

Thanks for your quick reply. So, I have to add more paths to the fitting and then try to determine the size of the particle.

Also, I want to add some analysis details to confirm that I am on the right path.

The value of amp is obtained from fitting of metal foil, i.e., 0.84 (0.03) and is kept fixed during the fitting of the sample.

S02 is defined by the formula S02 = amp*(1-(0.75*(Reff/R))+(0.063*(Reff*Reff*Reff/(R*R*R)))).

With thanks

Abhijeet

Message: 2
Date: Mon, 3 Aug 2015 07:11:53 -0400
From: Scott Calvin <scalvin@sarahlawrence.edu>
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] Measuring particle size by coordination number
Message-ID: <C61F6046-713C-4EC2-8F7A-536ECC43DEA5@slc.edu>
Content-Type: text/plain; charset="utf-8"

Hi Abhijeet,

The formula looks poorly when it is only applied with one path.

The strength of this approach, and of Anatoly Frenkel?s alternative strategy for finding particle sizes, is that it compares coordination numbers for different shells, helping to break the correlations between N, S02, and sigma2.

Even then, it tends to report sizes that are small compared to those provided by other techniques, but compares sizes between different samples quite well.

?Scott Calvin
Sarah Lawrence College

Dr. Abhijeet Gaur

Post doctoral fellow in the Institute for Chemical Technology and Polymer Chemistry

Karlsruher Institut für Technologie (KIT), Karlsruhe Germany.