Hi Stanislav,
You _can_ specify different kmin,kmax,rmin, and rmax parameters for
each data set. A simple example would be:
#---
read_data(file = my_data.chi, group=dat, type=chi)
guess(Amp= 0.9, E0= 0, dR1= 0.00)
path(1, feff= feff0001.dat, s02= Amp, e0= E0, delr= dR1)
set(kmin= 2, kmax= 12, dk= 1, rmin= 1, rmax= 3, kweight= 2)
feffit(chi= dat.chi, kmax= 10, kweight= 1, 1, data_set= 1, data_total= 2)
feffit(chi= dat.chi, kmax= 11, kmin= 3, 1, data_set= 2, data_total= 2)
#---
To address your question, this example uses both 'globally set' FT
parameters, and ones explicitly set in the feffit() command. For
the first data set, kmin, dk, rmin, rmax are taken from the 'global
parameters', while the explicit values for kmax and kweight are
used. For the second data set, kmax and kmin are explicit, and dk=
1,rmin= 1,rmax= 3, and kweight= 2, as set from the global values.
An important note is that after feffit() runs completely, the global
program variable kmax will be set to the last used value - 11.0 in
this case. This is NOT true if feffit() has data_set Hello! First of all I would like to thank Bruce for answering my questions.
As a beginner I very much appreciate your help. Now I am trying to compare my results using two possible ways of doing EXAFS
analysis :
1. Artemis
2. ifeffit command line (loading input files) Here is my question:
When I use ifeffit commands it is not clear to me how to assing different
kmin/kmax (rmin/rmax) values to different data sets in a multiple data set
fit. My current understanding of the problem is as follows:
As ifeffit documentation says all variables are global. At the same time
ifeffit tries to evaluate all parameters of feffit() command first and does
the fit only after determination of kmin kmax rmin rmax. What happens is
that the last given values are assigned to these variables. Could somebody show me an example of a script that allows to assing different
values of kmin kmax rmin and rmax for different data sets?