[Ifeffit] fitting a specific k range

Matt Frith matt.frith at gmail.com
Wed Dec 4 13:17:25 CST 2013


Dear All,



I need some help in fitting an amorphous iron oxyhydoxide sample.  I am
having difficulty producing a good fit, particularly in the k=4-6 range.
Fitting this region well is very important for me, because if I add another
metal(+3 oxidation state) into my system, this is where I observe the most
quantifiable changes (The shoulder @ 5 A^-1 and the min @ 5.6 A^-1). Thus
far I have been unable to fit the shoulder well enough to make meaningful
comparisons.



I have been fitting in kq with kmin=2.566 And kmax=10.877, and Rmin=1 and
Rmax=3.5, and using the goethite O1.1, Fe.1, and Fe.3 paths. Attached is an
Artemis file (P41_006_merge_norm_TRANS.fpj) for an amorphous Fe
oxyhydroxide sample (Fe only, no other metals). The data was collected at
the Fe K-edge.



*Is there a way to fit just this region (k~4-6 range) in k? If so what is
the best method for doing this? If not, does anyone have suggestions as to
how I can improve my fitting? Should I fit the data in k since the shoulder
is less evident in kq?*



Thank you for your time.



Sincerely,



Matt Frith
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