various fit functions for photoelectron spectroscopy. More...

#include "mm-physconst"

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...

threadsafe variable	DoubletGaussLinBG_AO (wave pw, wave yw, wave xw)
	doublet 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...

variable	ShirleyBG (wave w, wave bg, variable p1, variable p2)
	calculate the shirley background 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

◆ Au4f()

variable Au4f	(	wave	w,
		variable	x
	)

Definition at line 598 of file pearl-fitfuncs.ipf.

◆ Au4f_2p2()

variable Au4f_2p2	(	wave	w,
		variable	x
	)

Definition at line 643 of file pearl-fitfuncs.ipf.

◆ Au4f_2p3()

variable Au4f_2p3	(	wave	w,
		variable	x
	)

Definition at line 728 of file pearl-fitfuncs.ipf.

◆ Calc_DoniachSunjicBroad()

variable Calc_DoniachSunjicBroad	(	wave	pw,
		wave	yw
	)

Definition at line 541 of file pearl-fitfuncs.ipf.

◆ DoniachSunjic()

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 174 of file pearl-fitfuncs.ipf.

◆ DoniachSunjicBroad()

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

Definition at line 480 of file pearl-fitfuncs.ipf.

◆ DoniachSunjicBroadS()

threadsafe variable DoniachSunjicBroadS ( DoniachSunjicStruct * s )

Definition at line 391 of file pearl-fitfuncs.ipf.

◆ DoubletGaussLinBG_AO()

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

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

this fits two gaussian peaks. peak positions are specified by center and distance rather than individually. amplitude and width are specified as absolute values for the upper peak (in x), and relative values for the lower peak.

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] = amplitude of peak 1 (higher x) pw[3] = amplitude of peak 2 relative to peak 1 pw[4] = center position pw[5] = distance between peaks (splitting) pw[6] = width of peak 1 (see note) pw[7] = width of peak 2 relative to peak 1
yw	y (dependent) values.
xw	x (independent) independent values.

Definition at line 117 of file pearl-fitfuncs.ipf.

◆ ds1_bg()

threadsafe variable ds1_bg	(	wave	w,
		variable	x
	)

Definition at line 217 of file pearl-fitfuncs.ipf.

◆ ds2_bg()

threadsafe variable ds2_bg	(	wave	w,
		variable	x
	)

Definition at line 240 of file pearl-fitfuncs.ipf.

◆ ds4_bg()

variable ds4_bg	(	wave	w,
		variable	x
	)

Definition at line 268 of file pearl-fitfuncs.ipf.

◆ ds6_bg()

variable ds6_bg	(	wave	w,
		variable	x
	)

Definition at line 309 of file pearl-fitfuncs.ipf.

◆ FermiGaussConv()

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 851 of file pearl-fitfuncs.ipf.

◆ Fit_DoniachSunjicBroad()

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

Definition at line 562 of file pearl-fitfuncs.ipf.

◆ MultiDoniachSunjicLinBG()

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 201 of file pearl-fitfuncs.ipf.

◆ MultiGaussLinBG()

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.

◆ MultiGaussLinBG_AO()

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.

◆ MultiVoigtLinBG()

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 144 of file pearl-fitfuncs.ipf.

◆ ShirleyBG()

variable ShirleyBG	(	wave	w,
		wave	bg,
		variable	p1,
		variable	p2
	)

calculate the shirley background

Definition at line 901 of file pearl-fitfuncs.ipf.

◆ ShowComponents_Au4f_2p2()

variable ShowComponents_Au4f_2p2	(	wave	coef_wave,
		wave	fit_wave
	)

Definition at line 697 of file pearl-fitfuncs.ipf.

◆ ShowComponents_Au4f_2p3()

variable ShowComponents_Au4f_2p3	(	wave	coef_wave,
		wave	fit_wave
	)

Definition at line 796 of file pearl-fitfuncs.ipf.

Data Structures

Namespaces

Functions

Detailed Description

Function Documentation

◆ Au4f()

◆ Au4f_2p2()

◆ Au4f_2p3()

◆ Calc_DoniachSunjicBroad()

◆ DoniachSunjic()

◆ DoniachSunjicBroad()

◆ DoniachSunjicBroadS()

◆ DoubletGaussLinBG_AO()

◆ ds1_bg()

◆ ds2_bg()

◆ ds4_bg()

◆ ds6_bg()

◆ FermiGaussConv()

◆ Fit_DoniachSunjicBroad()

◆ MultiDoniachSunjicLinBG()

◆ MultiGaussLinBG()

◆ MultiGaussLinBG_AO()

◆ MultiVoigtLinBG()

◆ ShirleyBG()

◆ ShowComponents_Au4f_2p2()

◆ ShowComponents_Au4f_2p3()