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Commit a0d418e7 authored by Tobias WEBER's avatar Tobias WEBER

example convo fit

parent a85ed0d1
; convofit sample job file
;
; input files and parameters
;
input
{
; file with the TAS scan
scan_file "./test.dat"
; the instrument definition created by
; the Takin resolution parameter dialog
instrument_file "./instr.taz"
; counter column in the scan file (if not automatically detected)
; counts_col ""
; monitor column in the scan file (if not automatically detected)
; monitor_col ""
; normalise detector counts to monitor counts
norm_to_monitor 1
; temperature column in the scan file (if available)
temp_col "TT"
; field column in the scan file
; field_col "Bs"
; flip the sense of the coordinate system (in case Q definition of the scan is not ki-kf)
flip_lhs_rhs 1
; specify scan axis (if not automatically detected)
scan_axis 4
; which S(q,w) model to use?
sqw_model py
; S(q,w) input file, here, a python script
sqw_file "./sqw_phonon.py"
; how is the temperature/field variable named
; the S(q,w) model? Here, "g_T" and "g_H" are
; global variables in the "my_sqw.py" script.
sqw_temp_var "g_T"
; sqw_field_var "g_H"
; default initialisations of variables in the script
sqw_set_params "g_G = array([ 4., 4., 0.]); g_S0 = 1.0; g_T = 100; g_bose_cut = 0.01; g_freq = 1.5707963267948966; g_inc_amp = 0.6; g_inc_sig = 0.01; g_offs = 0.0; "
}
;
; output files for results and logs
;
output
{
; logs
log_file "./logphonon_simple_py.txt"
; a file describing the fit results
model_file "./modphonon_simple_py.dat"
; a simplified copy of the original scan file for easier reading
; in an external plot program
scan_file "./scphonon_simple_py.dat"
; show a plot at the end of the fit
plot 1
; show live plots during fitting (very useful for debugging)
; gnuplot has to be installed for this to work
; (see "Set-up" section of the help)
plot_intermediate 1
; specify an available gnuplot terminal
; list all available terminals using: gnuplot -e "set term"
; typically use: "x11", "qt", or "wxt"
; if no plot window appears, this is set to the wrong value!
; plot_term "x11"
}
;
; which S(q,w) model parameters should be fitted?
; don't remove "scale", "slope" or "offs"!
;
fit_parameters
{
; variables from the script, which are to be fitted
params "scale slope offs g_HWHM g_amp "
; initial values of the three parameters
values "70000 0 0 0.4 11.9 "
; errors of the three parameters (if 0, no fit will be performed!)
errors "7000 0 0 0.05 1 "
; which parameters should be fitted? (0 means: non-fixed, i.e. fit parameter)
fixed "1 1 1 0 0 "
}
;
; settings for the monte-carlo neutrons
;
montecarlo
{
; number of Monte-Carlo neutrons
neutrons 1000
; keep the same random seed for more stability
recycle_neutrons 1
; perform a secondary convolution of the sample shape (still beta, keep at 1)
sample_positions 1
}
resolution
{
; which algorithm to use? (either "cn", "pop", "eck", or "viol")
algorithm pop
; use optimum vertical/horizontal monochromator/analyser focusing?
focus_ana_h 0
focus_ana_v 0
focus_mono_h 0
focus_mono_v 0
}
;
; fitter settings
;
fitter
{
; do a convolution fit or just a plain convolution
; using the initial values?
do_fit 1
; number of maximum function calls
max_funccalls 250
; which minimiser to use? (either "simplex" or "migrad")
minimiser simplex
sigma 1.
; which Minuit strategy? (0..2)
strategy 1
; Minuit's targeted "estimated distance to minimum"
tolerance 2.500000e+01
}
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