Dear list,
I made an EXAFS analysis in Artemis (in Demeter 0.9.22) using all the available variables. This is a fragment of the .log file I got:
Independent points : 17.7666016
Number of variables : 17
Chi-square : 265.0947132
Reduced chi-square : 345.8050781
R-factor : 0.0026486
Number of data sets : 1
: k-range = 2.942 - 11.043
: dk = 1
: k-window = hanning
: k-weight = 1,2,3
: R-range = 1.115 - 3.5
: dR = 0.0
: R-window = hanning
: fitting space = r
: background function = yes
: phase correction = no
: background removal = E0: 20002.215, Rbkg: 1.0, range: [2.25:17.4039986832903], clamps: 0/24, kw: 2
: epsilon_k by k-weight = 3.189e-004
: epsilon_r by k-weight = 2.339e-001
: R-factor by k-weight = 1 -> 0.00220, 2 -> 0.00224, 3 -> 0.00392
The problem is that when I use the Nyquist criterion
Nind=2*deltak*deltar/pi + 1
for calculating the number of independent points the value I got is much lower and close to 13.
I was not aware of this discrepancy and it caused a reviewer to think I made up the fit!
Am I doing something wrong?
Is there another way to calculate the Nind that might have been used by Artemis?
I would really appreciate any help.
Yours
Jesús