components1D
#
Components that can be used to define a 1D model for e.g. curve fitting.
Writing a new template is easy: see the user guide documentation on creating components.
For more details see each component docstring.#
Arctan
Arctan function component.
Bleasdale
Bleasdale function component.
Doniach
Doniach Sunjic lineshape component.
Erf
Error function component.
Exponential
Exponential function component.
Expression
Create a component from a string expression.
Gaussian
Normalized Gaussian function component.
GaussianHF
Normalized gaussian function component, with a
fwhm
parameterHeavisideStep
The Heaviside step function.
Logistic
Logistic function (sigmoid or s-shaped curve) component.
Lorentzian
Cauchy-Lorentz distribution (a.k.a. Lorentzian function) component.
Offset
Component to add a constant value in the y-axis.
Polynomial
n-order polynomial component.
PowerLaw
Power law component.
ScalableFixedPattern
Fixed pattern component with interpolation support.
SkewNormal
Skew normal distribution component.
SplitVoigt
Split pseudo-Voigt component.
Voigt
Voigt component.
- class hyperspy.api.model.components1D.Arctan(A=1.0, k=1.0, x0=1.0, module=['numpy', 'scipy'], **kwargs)#
Bases:
Expression
Arctan function component.
\[f(x) = A \cdot \arctan \left[ k \left( x-x_0 \right) \right]\]Variable
Parameter
\(A\)
A
\(k\)
k
\(x_0\)
x0
- Parameters:
- class hyperspy.api.model.components1D.Bleasdale(a=1.0, b=1.0, c=1.0, module=None, **kwargs)#
Bases:
Expression
Bleasdale function component.
Also called the Bleasdale-Nelder function. Originates from the description of the yield-density relationship in crop growth.
\[f(x) = \left(a+b\cdot x\right)^{-1/c}\]- Parameters:
- a
float
, default=1.0 The value of Parameter a.
- b
float
, default=1.0 The value of Parameter b.
- c
float
, default=1.0 The value of Parameter c.
- **kwargs
Extra keyword arguments are passed to
Expression
.
- a
Notes
For \((a+b\cdot x)\leq0\), the component will be set to 0.
- Parameters:
- grad_a(x)#
Returns d(function)/d(parameter_1)
- grad_b(x)#
Returns d(function)/d(parameter_1)
- grad_c(x)#
Returns d(function)/d(parameter_1)
- class hyperspy.api.model.components1D.Doniach(centre=0.0, A=1.0, sigma=1.0, alpha=0.5, module=['numpy', 'scipy'], **kwargs)#
Bases:
Expression
Doniach Sunjic lineshape component.
\[ f(x) = \frac{A \cos[ \frac{{\pi\alpha}}{2}+ (1-\alpha)\tan^{-1}(\frac{x-centre+dx}{\sigma})]} {(\sigma^2 + (x-centre+dx)^2)^{\frac{(1-\alpha)}{2}}} \] \[ dx = \frac{2.354820\sigma}{2 tan[\frac{\pi}{2-\alpha}]} \]Variable
Parameter
\(A\)
A
\(\sigma\)
sigma
\(\alpha\)
alpha
\(centre\)
centre
- Parameters:
- A
float
Height
- sigma
float
Variance parameter of the distribution
- alpha
float
Tail or asymmetry parameter
- centre
float
Location of the maximum (peak position).
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- A
Notes
This is an asymmetric lineshape, originially design for xps but generally useful for fitting peaks with low side tails See Doniach S. and Sunjic M., J. Phys. 4C31, 285 (1970) or http://www.casaxps.com/help_manual/line_shapes.htm for a more detailed description
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the Donach by calculating the median (centre) and the variance parameter (sigma).
Note that an insufficient range will affect the accuracy of this method and that this method doesn’t estimate the asymmetry parameter (alpha).
- Parameters:
- Returns:
- bool
Returns True when the parameters estimation is successful
Examples
>>> g = hs.model.components1D.Lorentzian() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- class hyperspy.api.model.components1D.Erf(A=1.0, sigma=1.0, origin=0.0, module=['numpy', 'scipy'], **kwargs)#
Bases:
Expression
Error function component.
\[f(x) = \frac{A}{2}~\mathrm{erf}\left[\frac{(x - x_0)}{\sqrt{2} \sigma}\right]\]Variable
Parameter
\(A\)
A
\(\sigma\)
sigma
\(x_0\)
origin
- Parameters:
- A
float
The min/max values of the distribution are -A/2 and A/2.
- sigma
float
Width of the distribution.
- origin
float
Position of the zero crossing.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- A
- class hyperspy.api.model.components1D.Exponential(A=1.0, tau=1.0, module=None, **kwargs)#
Bases:
Expression
Exponential function component.
\[f(x) = A\cdot\exp\left(-\frac{x}{\tau}\right)\]Variable
Parameter
\(A\)
A
\(\tau\)
tau
- Parameters:
- A: float
Maximum intensity
- tau: float
Scale parameter (time constant)
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the parameters for the exponential component by splitting the signal window into two regions and using their geometric means
- class hyperspy.api.model.components1D.Expression(expression, name, position=None, module='numpy', autodoc=True, add_rotation=False, rotation_center=None, rename_pars={}, compute_gradients=True, linear_parameter_list=None, check_parameter_linearity=True, **kwargs)#
Bases:
Component
Create a component from a string expression.
It automatically generates the partial derivatives and the class docstring.
- Parameters:
- expression
str
Component function in SymPy text expression format with substitutions separated by ;. See examples and the SymPy documentation for details. In order to vary the components along the signal dimensions, the variables x and y must be included for 1D or 2D components. Also, if module is “numexpr” the functions are limited to those that numexpr support. See its documentation for details.
- name
str
Name of the component.
- position
str
, optional The parameter name that defines the position of the component if applicable. It enables interative adjustment of the position of the component in the model. For 2D components, a tuple must be passed with the name of the two parameters e.g. (“x0”, “y0”).
- module
None
orstr
{"numpy"
|"numexpr"
|"scipy"
}, default “numpy” Module used to evaluate the function. numexpr is often faster but it supports fewer functions and requires installing numexpr. If None, the “numexpr” will be used if installed.
- add_rotationbool, default
False
This is only relevant for 2D components. If True it automatically adds rotation_angle parameter.
- rotation_center
None
ortuple
If None, the rotation center is the center i.e. (0, 0) if position is not defined, otherwise the center is the coordinates specified by position. Alternatively a tuple with the (x, y) coordinates of the center can be provided.
- rename_pars
dict
The desired name of a parameter may sometimes coincide with e.g. the name of a scientific function, what prevents using it in the expression. rename_parameters is a dictionary to map the name of the parameter in the expression` to the desired name of the parameter in the Component. For example: {“_gamma”: “gamma”}.
- compute_gradientsbool, optional
If True, compute the gradient automatically using sympy. If sympy does not support the calculation of the partial derivatives, for example in case of expression containing a “where” condition, it can be disabled by using compute_gradients=False.
- linear_parameter_list
list
A list of the components parameters that are known to be linear parameters.
- check_parameter_linearitybool
If True, automatically check if each parameter is linear and set its corresponding attribute accordingly. If False, the default is to set all parameters, except for those who are specified in
linear_parameter_list
.- **kwargs
dict
Keyword arguments can be used to initialise the value of the parameters.
- expression
Notes
As of version 1.4, Sympy’s lambdify function, that the
Expression
components uses internally, does not support the differentiation of some expressions, for example those containing a “where” condition. In such cases, the gradients can be set manually if required.Examples
The following creates a Gaussian component and set the initial value of the parameters:
>>> hs.model.components1D.Expression( ... expression="height * exp(-(x - x0) ** 2 * 4 * log(2)/ fwhm ** 2)", ... name="Gaussian", ... height=1, ... fwhm=1, ... x0=0, ... position="x0",) <Gaussian (Expression component)>
Substitutions for long or complicated expressions are separated by semicolumns:
>>> expr = 'A*B/(A+B) ; A = sin(x)+one; B = cos(y) - two; y = tan(x)' >>> comp = hs.model.components1D.Expression( ... expression=expr, ... name='my function' ... ) >>> comp.parameters (<Parameter one of my function component>, <Parameter two of my function component>)
- Parameters:
- compile_function(module, position=False)#
Compile the function and calculate the gradient automatically when possible. Useful to recompile the function and gradient with a different module.
- function_nd(*args)#
Returns a numpy array containing the value of the component for all indices. If enough memory is available, this is useful to quickly to obtain the fitted component without iterating over the navigation axes.
- class hyperspy.api.model.components1D.Gaussian(A=1.0, sigma=1.0, centre=0.0, module=None, **kwargs)#
Bases:
Expression
Normalized Gaussian function component.
\[f(x) = \frac{A}{\sigma \sqrt{2\pi}}\exp\left[ -\frac{\left(x-x_0\right)^{2}}{2\sigma^{2}}\right]\]Variable
Parameter
\(A\)
A
\(\sigma\)
sigma
\(x_0\)
centre
- Parameters:
- A
float
Area, equals height scaled by \(\sigma\sqrt{(2\pi)}\).
GaussianHF
implements the Gaussian function with a height parameter corresponding to the peak height.- sigma
float
Scale parameter of the Gaussian distribution.
- centre
float
Location of the Gaussian maximum (peak position).
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- A
See also
- Attributes:
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the Gaussian by calculating the momenta.
- Parameters:
- Returns:
Notes
Adapted from https://scipy-cookbook.readthedocs.io/items/FittingData.html
Examples
>>> g = hs.model.components1D.Gaussian() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- class hyperspy.api.model.components1D.GaussianHF(height=1.0, fwhm=1.0, centre=0.0, module=None, **kwargs)#
Bases:
Expression
Normalized gaussian function component, with a
fwhm
parameter instead of thesigma
parameter, and aheight
parameter instead of the area parameterA
(scaling difference of \(\sigma \sqrt{\left(2\pi\right)}\)). This makes the parameter vs. peak maximum independent of \(\sigma\), and thereby makes locking of the parameter more viable. As long as there is no binning, the height parameter corresponds directly to the peak maximum, if not, the value is scaled by a linear constant (signal_axis.scale).\[f(x) = h\cdot\exp{\left[-\frac{4 \log{2} \left(x-c\right)^{2}}{W^{2}}\right]}\]Variable
Parameter
\(h\)
height
\(W\)
fwhm
\(c\)
centre
- Parameters:
- height: float
The height of the peak. If there is no binning, this corresponds directly to the maximum, otherwise the maximum divided by signal_axis.scale
- fwhm: float
The full width half maximum value, i.e. the width of the gaussian at half the value of gaussian peak (at centre).
- centre: float
Location of the gaussian maximum, also the mean position.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
See also
- Attributes:
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the gaussian by calculating the momenta.
- Parameters:
- Returns:
Notes
Adapted from https://scipy-cookbook.readthedocs.io/items/FittingData.html
Examples
>>> g = hs.model.components1D.GaussianHF() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- integral_as_signal()#
Utility function to get gaussian integral as Signal1D
- class hyperspy.api.model.components1D.HeavisideStep(A=1.0, n=0.0, module='numpy', compute_gradients=True, **kwargs)#
Bases:
Expression
The Heaviside step function.
Based on the corresponding numpy function using the half maximum definition for the central point:
\[\begin{split}f(x) = \begin{cases} 0 & x<n\\ A/2 & x=n\\ A & x>n \end{cases}\end{split}\]Variable
Parameter
\(n\)
centre
\(A\)
height
- Parameters:
- n
float
Location parameter defining the x position of the step.
- A
float
Height parameter for x>n.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- n
- class hyperspy.api.model.components1D.Logistic(a=1.0, b=1.0, c=1.0, origin=0.0, module=None, **kwargs)#
Bases:
Expression
Logistic function (sigmoid or s-shaped curve) component.
\[f(x) = \frac{a}{1 + b\cdot \mathrm{exp}\left[-c \left((x - x_0\right)\right]}\]Variable
Parameter
\(A\)
a
\(b\)
b
\(c\)
c
\(x_0\)
origin
- Parameters:
- a
float
The curve’s maximum y-value, \(\mathrm{lim}_{x\to\infty}\left(y\right) = a\)
- b
float
Additional parameter: b>1 shifts origin to larger values; 0<b<1 shifts origin to smaller values; b<0 introduces an asymptote
- c
float
Logistic growth rate or steepness of the curve
- origin
float
Position of the sigmoid’s midpoint
- **kwargs
dict
Extra keyword arguments are passed to the
Expression
component.
- a
- class hyperspy.api.model.components1D.Lorentzian(A=1.0, gamma=1.0, centre=0.0, module=None, **kwargs)#
Bases:
Expression
Cauchy-Lorentz distribution (a.k.a. Lorentzian function) component.
\[f(x)=\frac{A}{\pi}\left[\frac{\gamma}{\left(x-x_{0}\right)^{2} +\gamma^{2}}\right]\]Variable
Parameter
\(A\)
A
\(\gamma\)
gamma
\(x_0\)
centre
- Parameters:
- A
float
Area parameter, where \(A/(\gamma\pi)\) is the maximum (height) of peak.
- gamma
float
Scale parameter corresponding to the half-width-at-half-maximum of the peak, which corresponds to the interquartile spread.
- centre
float
Location of the peak maximum.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.- For convenience the `fwhm` and `height` attributes can be used to get and set
- the full-with-half-maximum and height of the distribution, respectively.
- A
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the Lorentzian by calculating the median (centre) and half the interquartile range (gamma).
Note that an insufficient range will affect the accuracy of this method.
- Parameters:
- Returns:
Notes
Adapted from gaussian.py and https://en.wikipedia.org/wiki/Cauchy_distribution
Examples
>>> g = hs.model.components1D.Lorentzian() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- class hyperspy.api.model.components1D.Offset(offset=0.0)#
Bases:
Component
Component to add a constant value in the y-axis.
\[f(x) = k\]Variable
Parameter
\(k\)
offset
- Parameters:
- offset
float
The offset to be fitted
- offset
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the parameters by the two area method
- function_nd(axis)#
Returns a numpy array containing the value of the component for all indices. If enough memory is available, this is useful to quickly to obtain the fitted component without iterating over the navigation axes.
- class hyperspy.api.model.components1D.Polynomial(order=2, module=None, **kwargs)#
Bases:
Expression
n-order polynomial component.
Polynomial component consisting of order + 1 parameters. The parameters are named “a” followed by the corresponding order, i.e.
\[f(x) = a_{2} x^{2} + a_{1} x^{1} + a_{0}\]Zero padding is used for polynomial of order > 10.
- Parameters:
- order
int
Order of the polynomial, must be different from 0.
- **kwargs
Keyword arguments can be used to initialise the value of the parameters, i.e. a2=2, a1=3, a0=1. Extra keyword arguments are passed to the
Expression
component.
- order
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the parameters by the two area method
- class hyperspy.api.model.components1D.PowerLaw(A=1000000.0, r=3.0, origin=0.0, left_cutoff=0.0, module=None, compute_gradients=False, **kwargs)#
Bases:
Expression
Power law component.
\[f(x) = A\cdot(x-x_0)^{-r}\]Variable
Parameter
\(A\)
A
\(r\)
r
\(x_0\)
origin
- Parameters:
- A
float
Height parameter.
- r
float
Power law coefficient.
- origin
float
Location parameter.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- A
- Attributes:
- left_cutoff
float
For x <= left_cutoff, the function returns 0. Default value is 0.0.
- left_cutoff
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False, out=False)#
Estimate the parameters for the power law component by the two area method.
- Parameters:
- signal
Signal1D
- x1
float
Defines the left limit of the spectral range to use for the estimation.
- x2
float
Defines the right limit of the spectral range to use for the estimation.
- only_currentbool
If False, estimates the parameters for the full dataset.
- outbool
If True, returns the result arrays directly without storing in the parameter maps/values. The returned order is (A, r).
- signal
- Returns:
- bool
Exit status required for the
remove_background()
function.
- class hyperspy.api.model.components1D.RC(Vmax=1.0, V0=0.0, tau=1.0, module=None, **kwargs)#
Bases:
Expression
RC function component (based on the time-domain capacitor voltage response of an RC-circuit)
\[f(x) = V_\mathrm{0} + V_\mathrm{max} \left[1 - \mathrm{exp}\left( -\frac{x}{\tau}\right)\right]\]Variable
Parameter
\(V_\mathrm{max}\)
Vmax
\(V_\mathrm{0}\)
V0
\(\tau\)
tau
- Parameters:
- Vmax
float
maximum voltage, asymptote of the function for \(\mathrm{lim}_{x\to\infty}\)
- V0
float
vertical offset
- tau
float
tau=RC is the RC circuit time constant (voltage rise time)
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- Vmax
- class hyperspy.api.model.components1D.ScalableFixedPattern(signal1D, yscale=1.0, xscale=1.0, shift=0.0, interpolate=True)#
Bases:
Component
Fixed pattern component with interpolation support.
\[f(x) = a \cdot s \left(b \cdot x - x_0\right) + c\]Variable
Parameter
\(a\)
yscale
\(b\)
xscale
\(x_0\)
shift
- Parameters:
Examples
The fixed pattern is defined by a Signal1D of navigation 0 which must be provided to the ScalableFixedPattern constructor, e.g.:
>>> s = hs.load('data.hspy') >>> my_fixed_pattern = hs.model.components1D.ScalableFixedPattern(s)
- Attributes:
Methods
prepare_interpolator
(**kwargs)Fine-tune the interpolation.
- Parameters:
- function_nd(axis)#
Returns a numpy array containing the value of the component for all indices. If enough memory is available, this is useful to quickly to obtain the fitted component without iterating over the navigation axes.
- gui(display=True, toolkit=None, **kwargs)#
Display or return interactive GUI element if available.
- Parameters:
- displaybool
If True, display the user interface widgets. If False, return the widgets container in a dictionary, usually for customisation or testing.
- toolkit
str
, iterable ofstr
orNone
If None (default), all available widgets are displayed or returned. If string, only the widgets of the selected toolkit are displayed if available. If an interable of toolkit strings, the widgets of all listed toolkits are displayed or returned.
- prepare_interpolator(**kwargs)#
Fine-tune the interpolation.
- Parameters:
- x
array
The spectral axis of the fixed pattern
- **kwargs
dict
Keywords argument are passed to
scipy.interpolate.make_interp_spline()
- x
- class hyperspy.api.model.components1D.SkewNormal(x0=0.0, A=1.0, scale=1.0, shape=0.0, module=['numpy', 'scipy'], **kwargs)#
Bases:
Expression
Skew normal distribution component.
Asymmetric peak shape based on a normal distribution.For definition see https://en.wikipedia.org/wiki/Skew_normal_distributionSee also http://azzalini.stat.unipd.it/SN/\[\begin{split}f(x) &= 2 A \phi(x) \Phi(x) \\ \phi(x) &= \frac{1}{\sqrt{2\pi}}\mathrm{exp}{\left[ -\frac{t(x)^2}{2}\right]} \\ \Phi(x) &= \frac{1}{2}\left[1 + \mathrm{erf}\left(\frac{ \alpha~t(x)}{\sqrt{2}}\right)\right] \\ t(x) &= \frac{x-x_0}{\omega}\end{split}\]Variable
Parameter
\(x_0\)
x0
\(A\)
A
\(\omega\)
scale
\(\alpha\)
shape
- Parameters:
- x0
float
Location of the peak position (not maximum, which is given by the mode property).
- A
float
Height parameter of the peak.
- scale
float
Width (sigma) parameter.
- shape: float
Skewness (asymmetry) parameter. For shape=0, the normal distribution (Gaussian) is obtained. The distribution is right skewed (longer tail to the right) if shape>0 and is left skewed if shape<0.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- x0
Notes
The properties mean (position), variance, skewness and mode (position of maximum) are defined for convenience.
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the skew normal distribution by calculating the momenta.
- Parameters:
- Returns:
Notes
Adapted from Lin, Lee and Yen, Statistica Sinica 17, 909-927 (2007) https://www.jstor.org/stable/24307705
Examples
>>> g = hs.model.components1D.SkewNormal() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager._axes[-1].offset = -10 >>> s.axes_manager._axes[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- property mean#
Mean (position) of the component.
- property mode#
Mode (position of maximum) of the component.
- property skewness#
Skewness of the component.
- property variance#
Variance of the component.
- class hyperspy.api.model.components1D.SplitVoigt(A=1.0, sigma1=1.0, sigma2=1.0, fraction=0.0, centre=0.0)#
Bases:
Component
Split pseudo-Voigt component.
\[ pV(x,centre,\sigma) = (1 - \eta) G(x,centre,\sigma) + \eta L(x,centre,\sigma) \] \[ f(x) = \begin{cases} pV(x,centre,\sigma_1), & x \leq centre\\ pV(x,centre,\sigma_2), & x > centre \end{cases} \]Variable
Parameter
\(A\)
A
\(\eta\)
fraction
\(\sigma_1\)
sigma1
\(\sigma_2\)
sigma2
\(centre\)
centre
Notes
This is a voigt function in which the upstream and downstream variance or sigma is allowed to vary to create an asymmetric profile In this case the voigt is a pseudo voigt consisting of a mixed gaussian and lorentzian sum
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
- Estimate the split voigt function by calculating the
momenta the gaussian.
- Parameters:
- Returns:
Notes
Adapted from https://scipy-cookbook.readthedocs.io/items/FittingData.html
Examples
>>> g = hs.model.components1D.SplitVoigt() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True
- function(x)#
Split pseudo voigt - a linear combination of gaussian and lorentzian
- Parameters:
- function_nd(axis)#
Returns a numpy array containing the value of the component for all indices. If enough memory is available, this is useful to quickly to obtain the fitted component without iterating over the navigation axes.
- class hyperspy.api.model.components1D.Voigt(centre=10.0, area=1.0, gamma=0.2, sigma=0.1, module=['numpy', 'scipy'], **kwargs)#
Bases:
Expression
Voigt component.
Symmetric peak shape based on the convolution of a Lorentzian and Normal (Gaussian) distribution:
\[f(x) = G(x) \cdot L(x)\]where \(G(x)\) is the Gaussian function and \(L(x)\) is the Lorentzian function. In this case using an approximate formula by David (see Notes). This approximation improves on the pseudo-Voigt function (linear combination instead of convolution of the distributions) and is, to a very good approximation, equivalent to a Voigt function:
\[\begin{split}z(x) &= \frac{x + i \gamma}{\sqrt{2} \sigma} \\ w(z) &= \frac{e^{-z^2} \text{erfc}(-i z)}{\sqrt{2 \pi} \sigma} \\ f(x) &= A \cdot \Re\left\{ w \left[ z(x - x_0) \right] \right\}\end{split}\]Variable
Parameter
\(x_0\)
centre
\(A\)
area
\(\gamma\)
gamma
\(\sigma\)
sigma
- Parameters:
- centre
float
Location of the maximum of the peak.
- area
float
Intensity below the peak.
- gamma
float
\(\gamma\) = HWHM of the Lorentzian distribution.
- sigma: float
\(2 \sigma \sqrt{(2 \log(2))}\) = FWHM of the Gaussian distribution.
- **kwargs
Extra keyword arguments are passed to the
Expression
component.
- centre
Notes
For convenience the gwidth and lwidth attributes can also be used to set and get the FWHM of the Gaussian and Lorentzian parts of the distribution, respectively. For backwards compatability, FWHM is another alias for the Gaussian width.
W.I.F. David, J. Appl. Cryst. (1986). 19, 63-64, doi:10.1107/S0021889886089999
- Parameters:
- estimate_parameters(signal, x1, x2, only_current=False)#
Estimate the Voigt function by calculating the momenta of the Gaussian.
- Parameters:
- Returns:
- bool
Exit status required for the
remove_background()
function.
Notes
Adapted from https://scipy-cookbook.readthedocs.io/items/FittingData.html
Examples
>>> g = hs.model.components1D.Voigt() >>> x = np.arange(-10, 10, 0.01) >>> data = np.zeros((32, 32, 2000)) >>> data[:] = g.function(x).reshape((1, 1, 2000)) >>> s = hs.signals.Signal1D(data) >>> s.axes_manager[-1].offset = -10 >>> s.axes_manager[-1].scale = 0.01 >>> g.estimate_parameters(s, -10, 10, False) True