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Fityk script file to fit three peaks in an EDS spectrum and output areas. Does each peak independently. Does not include edge jumps.
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# Fityk script. Fityk version: 1.3.1. Created: Fri Aug 19 12:09:17 2022 | |
set verbosity = -1 #the rest of the file is not shown | |
set autoplot = 0 | |
reset | |
# ------------ settings ------------ | |
set box_constraints = 1 | |
set default_sigma = sqrt | |
set domain_percent = 30 | |
set epsilon = 1e-012 | |
set fit_replot = 0 | |
set fitting_method = levenberg_marquardt | |
set ftol_rel = 0 | |
set function_cutoff = 0 | |
set guess_uses_weights = 1 | |
set height_correction = 1 | |
set lm_lambda_down_factor = 10 | |
set lm_lambda_start = 0.001 | |
set lm_lambda_up_factor = 10 | |
set lm_max_lambda = 1e+015 | |
set lm_stop_rel_change = 1e-007 | |
set log_output = 0 | |
set logfile = '' | |
set max_fitting_time = 0 | |
set max_wssr_evaluations = 1000 | |
set nm_convergence = 0.0001 | |
set nm_distribution = bound | |
set nm_move_all = 0 | |
set nm_move_factor = 1 | |
set numeric_format = '%g' | |
set on_error = stop | |
set pseudo_random_seed = 0 | |
set refresh_period = 4 | |
set width_correction = 1 | |
set xtol_rel = 0 | |
# ------------ datasets ------------ | |
@0 < '/Volumes/ParticleBase/Europa in a can/20220730 - TitanX - EIAC - J2-313 Grid A10/008 - Stack Area 1 zoomin/Bruker Quants/Carbon.txt' text | |
@+ < '/Volumes/ParticleBase/Europa in a can/20220730 - TitanX - EIAC - J2-313 Grid A10/008 - Stack Area 1 zoomin/Bruker Quants/Carbon.txt' text | |
@+ < '/Volumes/ParticleBase/Europa in a can/20220730 - TitanX - EIAC - J2-313 Grid A10/008 - Stack Area 1 zoomin/Bruker Quants/Carbon.txt' text | |
use @0 | |
# Name this dataset. | |
title = 'C-K' | |
# Set fitting range. | |
A = x > 0.150 and x < 0.374 | |
# ------------ variables and functions ------------ | |
$CK_height = ~100.0 | |
$CK_center = ~0.266 | |
$CK_hwhm = ~0.0325895018656 | |
$BkgCK_a0 = ~63.4978126002 | |
$BkgCK_a1 = ~37.6863402513 | |
%CK = Gaussian($CK_height, $CK_center, $CK_hwhm) | |
%BkgCK = Linear($BkgCK_a0, $BkgCK_a1) | |
# ------------ models ------------ | |
@0: F = %CK + %BkgCK | |
plot [-1.6183:2.643] [0.521:19800] | |
use @0 | |
set autoplot = 1 | |
set verbosity = 0 | |
fit @0 | |
use @1 | |
title = 'O-K' | |
A = x > 0.374 and x < 0.640 | |
# ------------ variables and functions ------------ | |
$OK_height = ~100.0 | |
$OK_center = ~0.5 | |
$OK_hwhm = ~0.0325895018656 | |
$BkgOK_a0 = ~63.4978126002 | |
$BkgOK_a1 = ~37.6863402513 | |
%OK = Gaussian($OK_height, $OK_center, $OK_hwhm) | |
%BkgOK = Linear($BkgOK_a0, $BkgOK_a1) | |
# ------------ models ------------ | |
@1: F = %OK + %BkgOK | |
plot [-1.6183:2.643] [0.521:19800] | |
use @1 | |
set autoplot = 1 | |
set verbosity = 0 | |
fit @1 | |
use @2 | |
title = 'Fe-L' | |
A = x > 0.630 and x < 0.850 | |
# ------------ variables and functions ------------ | |
$FeL_height = ~100.0 | |
$FeL_center = ~0.7 | |
$FeL_hwhm = ~0.0325895018656 | |
$BkgFeL_a0 = ~63.4978126002 | |
$BkgFeL_a1 = ~37.6863402513 | |
%FeL = Gaussian($FeL_height, $FeL_center, $FeL_hwhm) | |
%BkgFeL = Linear($BkgFeL_a0, $BkgFeL_a1) | |
# ------------ models ------------ | |
@2: F = %FeL + %BkgFeL | |
plot [-1.6183:2.643] [0.521:19800] | |
use @2 | |
set autoplot = 1 | |
set verbosity = 0 | |
fit @2 | |
plot [0:1] [:max(y)] | |
use @0 | |
info peaks | |
use @1 | |
info peaks | |
use @2 | |
info peaks | |
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