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CALCULATE S(Q,ω)
N write the number of file to convert to S(Q,ω)
_ if you want to know the options. However our is _coq
_coq
1 we want a linear grid
-1.4 the first energy. if the number is too big an error wil occur and frida will tell us the maximum value
0.01 the step in energy
100 the last energy you want
1 equidistant q
0 the first q
0.1 Step in q
10 a big number… to get all the spectra
30 Number of slices
0.05 radius of arc… half the value of increment of q 0.1/2=0.05 (high level arithmetics!!!)
1 minimla number of channels
TODO: subtract empty can
Obtain diffusion coefficient

Please have a look at Fitting a function

Plotting the two components of a two-Lorentzian fit

It goes along the lines: export all fit parameters with ci. create two new fit files to the data file. when asked for starting values, say “from file” (check help for how to do that) and use these values. only the ones for the first lorentzian in the first fit file, only the ones for the second in the other. do not fit! simply plot those fit files, convolve with the vanadium.