pearl-fitfuncs.ipf File Reference

various fit functions for photoelectron spectroscopy. More...

#include "mm-physconst"

Go to the source code of this file.

Data Structures
struct	DoniachSunjicStruct

Namespaces
	PearlFitFuncs
	various fit functions for photoelectron spectroscopy.

Functions
threadsafe variable	MultiGaussLinBG (wave w, variable x)
	multiple gaussian peaks on a linear background fit function. More...
threadsafe variable	MultiGaussLinBG_AO (wave pw, wave yw, wave xw)
	multiple gaussian peaks on a linear background fit function (all at once). More...
variable	MultiVoigtLinBG (wave w, variable x)
	multiple voigt peaks on a linear background fit function. More...
threadsafe variable	DoniachSunjic (variable x, variable amp, variable pos, variable sing, variable fwhm)
	Doniach-Sunjic line shape. More...
variable	MultiDoniachSunjicLinBG (wave w, variable x)
	multiple doniach-sunjic peaks on a linear background fit function. More...
threadsafe variable	ds1_bg (wave w, variable x)
threadsafe variable	ds2_bg (wave w, variable x)
variable	ds4_bg (wave w, variable x)
variable	ds6_bg (wave w, variable x)
threadsafe variable	DoniachSunjicBroadS (DoniachSunjicStruct *s)
variable	DoniachSunjicBroad (wave pw, wave yw, wave xw)
variable	Calc_DoniachSunjicBroad (wave pw, wave yw)
variable	Fit_DoniachSunjicBroad (wave pw, wave yw, wave xw, wave ww)
variable	Au4f (wave w, variable x)
variable	Au4f_2p2 (wave w, variable x)
variable	ShowComponents_Au4f_2p2 (wave coef_wave, wave fit_wave)
variable	Au4f_2p3 (wave w, variable x)
variable	ShowComponents_Au4f_2p3 (wave coef_wave, wave fit_wave)
variable	FermiGaussConv (wave pw, wave yw, wave xw)
	convolution of Fermi-Dirac distribution and a Gaussian. More...

Detailed Description

various fit functions for photoelectron spectroscopy.

this procedure contains various functions for curve fitting.

Author

matthias muntwiler, matth.nosp@m.ias..nosp@m.muntw.nosp@m.iler.nosp@m.@psi..nosp@m.ch

Copyright

2013-18 Paul Scherrer Institut
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0

Definition in file pearl-fitfuncs.ipf.

Function Documentation

variable Au4f	(	wave	w,
		variable	x
	)

Definition at line 564 of file pearl-fitfuncs.ipf.

variable Au4f_2p2	(	wave	w,
		variable	x
	)

Definition at line 609 of file pearl-fitfuncs.ipf.

variable Au4f_2p3	(	wave	w,
		variable	x
	)

Definition at line 694 of file pearl-fitfuncs.ipf.

variable Calc_DoniachSunjicBroad	(	wave	pw,
		wave	yw
	)

Definition at line 507 of file pearl-fitfuncs.ipf.

threadsafe variable DoniachSunjic	(	variable	x,
		variable	amp,
		variable	pos,
		variable	sing,
		variable	fwhm
	)

Doniach-Sunjic line shape.

[S. Doniach, M. Sunjic, J. Phys. C 3 (1970) 285]

Parameters

x	independent variable
amp	amplitude
pos	position
sing	singularity index (0 <= sing < 1)
fwhm	full width at half maximum

Definition at line 140 of file pearl-fitfuncs.ipf.

variable DoniachSunjicBroad	(	wave	pw,
		wave	yw,
		wave	xw
	)

Definition at line 446 of file pearl-fitfuncs.ipf.

threadsafe variable DoniachSunjicBroadS

(

DoniachSunjicStruct *

s

)

Definition at line 357 of file pearl-fitfuncs.ipf.

threadsafe variable ds1_bg	(	wave	w,
		variable	x
	)

Definition at line 183 of file pearl-fitfuncs.ipf.

threadsafe variable ds2_bg	(	wave	w,
		variable	x
	)

Definition at line 206 of file pearl-fitfuncs.ipf.

variable ds4_bg	(	wave	w,
		variable	x
	)

Definition at line 234 of file pearl-fitfuncs.ipf.

variable ds6_bg	(	wave	w,
		variable	x
	)

Definition at line 275 of file pearl-fitfuncs.ipf.

variable FermiGaussConv	(	wave	pw,
		wave	yw,
		wave	xw
	)

convolution of Fermi-Dirac distribution and a Gaussian.

• pw[0] = constant background
• pw[1] = linear background
• pw[2] = amplitude
• pw[3] = Fermi level in eV
• pw[4] = temperature in K
• pw[5] = gaussian width = FWHM / 1.66511

Definition at line 817 of file pearl-fitfuncs.ipf.

variable Fit_DoniachSunjicBroad	(	wave	pw,
		wave	yw,
		wave	xw,
		wave	ww
	)

Definition at line 528 of file pearl-fitfuncs.ipf.

variable MultiDoniachSunjicLinBG	(	wave	w,
		variable	x
	)

multiple doniach-sunjic peaks on a linear background fit function.

Parameters

w	shape parameters. the length of the wave defines the number of peaks. w[0] = constant coefficient of background w[1] = linear coefficient of background w[2 + (i-1) * 4] = amplitude of peak i w[3 + (i-1) * 4] = position of peak i w[4 + (i-1) * 4] = width (fwhm) of peak i w[5 + (i-1) * 4] = singularity index (0...1) of peak i
x	independent variable

Definition at line 167 of file pearl-fitfuncs.ipf.

threadsafe variable MultiGaussLinBG	(	wave	w,
		variable	x
	)

multiple gaussian peaks on a linear background fit function.

Note

FWHM = width * 2 * sqrt(ln(2)) = width * 1.665

Parameters

w	shape parameters. the length of the wave defines the number of peaks. w[0] = constant coefficient of background w[1] = linear coefficient of background w[2 + (i-1) * 3] = amplitude of peak i w[3 + (i-1) * 3] = position of peak i w[4 + (i-1) * 3] = width of peak i (see note)
x	independent variable

Definition at line 44 of file pearl-fitfuncs.ipf.

threadsafe variable MultiGaussLinBG_AO	(	wave	pw,
		wave	yw,
		wave	xw
	)

multiple gaussian peaks on a linear background fit function (all at once).

this is the all-at-once version of MultiGaussLinBG. it runs about 15% faster compared to the point-by-point function (measured on a 200 point spectrum with 3 peaks).

Note

FWHM = width * 2 * sqrt(ln(2)) = width * 1.665

Parameters

pw	shape parameters. the length of the wave defines the number of peaks. pw[0] = constant coefficient of background pw[1] = linear coefficient of background pw[2 + (i-1) * 3] = amplitude of peak i pw[3 + (i-1) * 3] = position of peak i pw[4 + (i-1) * 3] = width of peak i (see note)
yw	y (dependent) values.
xw	x (independent) independent values.

Definition at line 79 of file pearl-fitfuncs.ipf.

variable MultiVoigtLinBG	(	wave	w,
		variable	x
	)

multiple voigt peaks on a linear background fit function.

Parameters

w	shape parameters. the length of the wave defines the number of peaks. w[0] = constant coefficient of background w[1] = linear coefficient of background w[2 + (i-1) * 4] = amplitude of peak i w[3 + (i-1) * 4] = position of peak i w[4 + (i-1) * 4] = width of peak i w[5 + (i-1) * 4] = shape of peak i
x	independent variable

Definition at line 110 of file pearl-fitfuncs.ipf.

variable ShowComponents_Au4f_2p2	(	wave	coef_wave,
		wave	fit_wave
	)

Definition at line 663 of file pearl-fitfuncs.ipf.

variable ShowComponents_Au4f_2p3	(	wave	coef_wave,
		wave	fit_wave
	)

Definition at line 762 of file pearl-fitfuncs.ipf.