PEARL Procedures  rev-distro-3.0.0-0-gfa24916-dirty
Igor procedures for the analysis of PEARL data
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...
 
threadsafe variable DoubletGaussLinBG_AO (wave pw, wave yw, wave xw)
 doublet gaussian peaks on a linear background fit function (all at once). More...
 
threadsafe variable DblDoubletGaussLinBG_AO (wave pw, wave yw, wave xw)
 two doublet gaussian peaks on a linear background fit function (all at once). More...
 
threadsafe variable MultiVoigtLinBG (wave w, variable x)
 multiple voigt peaks on a linear background fit function. More...
 
threadsafe variable MultiVoigtLinBG_AO (wave pw, wave yw, wave xw)
 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...
 
threadsafe 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

Definition in file pearl-fitfuncs.ipf.

Function Documentation

◆ Au4f()

variable Au4f ( wave  w,
variable  x 
)

Definition at line 677 of file pearl-fitfuncs.ipf.

◆ Au4f_2p2()

variable Au4f_2p2 ( wave  w,
variable  x 
)

Definition at line 722 of file pearl-fitfuncs.ipf.

◆ Au4f_2p3()

variable Au4f_2p3 ( wave  w,
variable  x 
)

Definition at line 807 of file pearl-fitfuncs.ipf.

◆ Calc_DoniachSunjicBroad()

variable Calc_DoniachSunjicBroad ( wave  pw,
wave  yw 
)

Definition at line 620 of file pearl-fitfuncs.ipf.

◆ DblDoubletGaussLinBG_AO()

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

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

this fits four gaussian peaks. peak positions are specified by center, splitting and shift rather than individually. amplitudes are specified as absolute values for peaks 1 and 3, and relative values for peaks 2 and 4.

can be used if a spin-orbit doublet is split by a chemical shift which affects both spin-orbit peaks equally.

Note
FWHM = width * 2 * sqrt(ln(2)) = width * 1.665
Parameters
pwshape parameters.
  • pw[0] = constant coefficient of background
  • pw[1] = linear coefficient of background
  • pw[2] = amplitude of peak 1
  • pw[3] = amplitude of peak 2
  • pw[4] = amplitude of peak 3, relative to peak 1
  • pw[5] = amplitude of peak 4, relative to peak 2
  • pw[6] = position of peak 1
  • pw[7] = splitting (distance between peaks 1 and 3)
  • pw[8] = shift (distance between peaks 1 and 2)
  • pw[9] = width of peaks 1 and 3
  • pw[10] = width of peaks 2 and 4
ywy (dependent) values.
xwx (independent) independent values.

Definition at line 157 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
xindependent variable
ampamplitude
posposition
singsingularity index (0 <= sing < 1)
fwhmfull width at half maximum

Definition at line 253 of file pearl-fitfuncs.ipf.

◆ DoniachSunjicBroad()

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

Definition at line 559 of file pearl-fitfuncs.ipf.

◆ DoniachSunjicBroadS()

threadsafe variable DoniachSunjicBroadS ( DoniachSunjicStruct s)

Definition at line 470 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
pwshape 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
ywy (dependent) values.
xwx (independent) independent values.

Definition at line 118 of file pearl-fitfuncs.ipf.

◆ ds1_bg()

threadsafe variable ds1_bg ( wave  w,
variable  x 
)

Definition at line 296 of file pearl-fitfuncs.ipf.

◆ ds2_bg()

threadsafe variable ds2_bg ( wave  w,
variable  x 
)

Definition at line 319 of file pearl-fitfuncs.ipf.

◆ ds4_bg()

variable ds4_bg ( wave  w,
variable  x 
)

Definition at line 347 of file pearl-fitfuncs.ipf.

◆ ds6_bg()

variable ds6_bg ( wave  w,
variable  x 
)

Definition at line 388 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 930 of file pearl-fitfuncs.ipf.

◆ Fit_DoniachSunjicBroad()

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

Definition at line 641 of file pearl-fitfuncs.ipf.

◆ MultiDoniachSunjicLinBG()

threadsafe variable MultiDoniachSunjicLinBG ( wave  w,
variable  x 
)

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

Parameters
wshape 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
xindependent variable

Definition at line 280 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
wshape 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)
xindependent variable

Definition at line 45 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
pwshape 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)
ywy (dependent) values.
xwx (independent) independent values.

Definition at line 80 of file pearl-fitfuncs.ipf.

◆ MultiVoigtLinBG()

threadsafe variable MultiVoigtLinBG ( wave  w,
variable  x 
)

multiple voigt peaks on a linear background fit function.

Parameters
wshape 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
xindependent variable

Definition at line 190 of file pearl-fitfuncs.ipf.

◆ MultiVoigtLinBG_AO()

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

multiple voigt peaks on a linear background fit function.

this is the all-at-once version of MultiVoigtLinBG. it runs slightly faster compared to the point-by-point function.

Parameters
pwshape 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) * 4] = amplitude of peak i
  • pw[3 + (i-1) * 4] = position of peak i
  • pw[4 + (i-1) * 4] = width of peak i
  • pw[5 + (i-1) * 4] = shape of peak i
ywy (dependent) values.
xwx (independent) independent values.

Definition at line 224 of file pearl-fitfuncs.ipf.

◆ ShirleyBG()

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

calculate the shirley background

Definition at line 980 of file pearl-fitfuncs.ipf.

◆ ShowComponents_Au4f_2p2()

variable ShowComponents_Au4f_2p2 ( wave  coef_wave,
wave  fit_wave 
)

Definition at line 776 of file pearl-fitfuncs.ipf.

◆ ShowComponents_Au4f_2p3()

variable ShowComponents_Au4f_2p3 ( wave  coef_wave,
wave  fit_wave 
)

Definition at line 875 of file pearl-fitfuncs.ipf.