Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OT 10/06/2009
q array of q (A-1) par[0] Radius(A) par[1] Length (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Radius(A) par[1] Length (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Core Shell Particle by OT 10/06/2009
q array of q (A-1) par[0] Outer radius par[1] Inner Radius par[2] SLD of Shell par[3] SLD of Core par[4] Number density(cm-3)
q array of q (A-1) par[0] Outer radius par[1] Inner Radius par[2] SLD of Shell par[3] SLD of Core par[4] Number density(cm-3)
Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OS 19/11/2011
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
Bases: pySAXS.models.model.Model
Fractal
for Fractal Model by OT & CG 17/01/2012
Fractal model par[0] : B2 par[1] : Rg par[2] : Df
Bases: pySAXS.models.model.Model
Gaussian model by OT : 09/06/2009
Gaussian model to fit the peak to get exact zero position par[0] : height of gaussian par[1] : is related to the FWHM par[2] : center of gaussian par[3] : background
Gaussian model to fit the peak to get exact zero position par[0] : height of gaussian par[1] : is related to the FWHM par[2] : center of gaussian par[3] : background
Bases: pySAXS.models.model.Model
Guinier by OT : 15/11/2011
q array of q (A-1) par[0] I0 par[1] Rg
Bases: pySAXS.models.model.Model
class Imogolite DW pour melange SiGe by AT 04/03/2011
q array of q (A-1) par[0] Concentration en Ge par[1] Nombre d’Atome de Si ou Ge dans la circonference du tube ext par[2] ratio de Si dans la paroi externe par[3] Epaisseur de la paroi du tube ext par[4] Nombre d’Atome de Ge dans la circonference du tube int par[5] ratio de Si dans la paroi interne par[6] Epaisseur de la paroi du tube int par[7] Longueur du tube par[8] densite electronique interne par[9] densite electronique interstitielle
q array of q (A-1) par[0] Concentration en Ge par[1] Nombre d’Atome de Si ou Ge dans la circonference du tube ext par[2] ratio de Si dans la paroi externe par[3] Epaisseur de la paroi du tube ext par[4] Nombre d’Atome de Ge dans la circonference du tube int par[5] ratio de Si dans la paroi interne par[6] Epaisseur de la paroi du tube int par[7] Longueur du tube par[8] densite electronique interne par[9] densite electronique interstitielle
Bases: pySAXS.models.model.Model
class Imogolite SW by AT 09/02/2011
q array of q (A-1) par[0] Concentration en Ge par[1] Nombre d’Atome de Ge dans la circonference du tube par[2] ratio de Si dans la paroi par[2] Epaisseur de la paroi du tube par[3] Longueur du tube
q array of q (A-1) par[0] Concentration en Ge par[1] Nombre d’Atome de Ge dans la circonference du tube par[2] ratio de Si dans la paroi par[2] Epaisseur de la paroi du tube par[3] Longueur du tube
Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OT 10/06/2009
q array of q (A-1) par[0] Radius(A) par[1] Length (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Radius(A) par[1] Length (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Mono Ellipse by OT 10/06/2009
q array of q (A-1) par[0] Semi major axis(A) par[1] Eccentricity par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Semi major axis(A) par[1] Eccentricity par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OT 10/06/2009
q array of q (A-1) par[0] radius of the sphere (A) par[1] scattering length density of sphere (cm-2) par[2] scattering length density of outside (cm-2) par[3] concentration of sphere (cm-3)
q array of q (A-1) par[0] radius of the sphere (A) par[1] scattering length density of sphere (cm-2) par[2] scattering length density of outside (cm-2) par[3] concentration of sphere (cm-3)
Bases: pySAXS.models.model.Model
Cubes and parallelepiped by OS : 03/11/2011
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] SLD particle (cm-2) par[2] SLD medium (cm-2) par[3] number density (cm-3)
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] SLD particle (cm-2) par[2] SLD medium (cm-2) par[3] number density (cm-3)
Bases: pySAXS.models.model.Model
Cubes and parallelepiped by OS : 03/11/2011
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] SLD particle (cm-2) par[2] SLD medium (cm-2) par[3] number density (cm-3)
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] SLD particle (cm-2) par[2] SLD medium (cm-2) par[3] number density (cm-3)
Bases: pySAXS.models.model.Model
Multilayer Cylinder by OT 10/06/2009
This function calculates the P(q) of a cylinder of length L and and multilayers R of density Rho the last one being solvent
Bases: pySAXS.models.model.Model
Core-shell cylinder in solvent by OS : 10/11/2011
q array of q (A-1) par[0] inner radius (in 1/q) par[1] outer radius (in 1/q) par[2] length (in 1/q) par[3] SLD inner cylinder (cm-2) par[4] SLD outer shell (cm-2) par[5] SLD medium (cm-2) par[6] number density (cm-3)
q array of q (A-1) par[0] inner radius (in 1/q) par[1] outer radius (in 1/q) par[2] length (in 1/q) par[3] SLD inner cylinder (cm-2) par[4] SLD outer shell (cm-2) par[5] SLD medium (cm-2) par[6] number density (cm-3)
Bases: pySAXS.models.model.Model
Cubes and parallelepiped by OS : 03/11/2011
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] side length 2 (in 1/q) par[2] side length 3 (in 1/q) par[3] SLD particle (cm-2) par[4] SLD medium (cm-2) par[5] number density (cm-3)
q array of q (A-1) par[0] side length 1 (in 1/q) par[1] side length 2 (in 1/q) par[2] side length 3 (in 1/q) par[3] SLD particle (cm-2) par[4] SLD medium (cm-2) par[5] number density (cm-3)
Bases: pySAXS.models.model.Model
Cubes and parallelepiped by OS : 11/11/2011
q array of q (A-1) par[0] side length (in 1/q) par[1] thickness of the triedre (in 1/q) par[2] SLD particle (cm-2) par[3] SLD medium (cm-2) par[4] number density (cm-3)
q array of q (A-1) par[0] side length (in 1/q) par[1] thickness of the triedre (in 1/q) par[2] SLD particle (cm-2) par[3] SLD medium (cm-2) par[4] number density (cm-3)
Bases: pySAXS.models.model.Model
Multilayer Cylinder by OT 10/06/2009
This function calculates the P(q) of a cylinder of length L and and multilayers R of density Rho the last one being solvent
Bases: pySAXS.models.model.Model
PearsonVII model by OT : 5/7/2012
PearsonVII model par[0] : Amplitute of peak par[1] : q at maximum of peak par[2] : width of peak par[3] : shape of peak par[4] : background
PearsonVII model par[0] : Amplitute of peak par[1] : q at maximum of peak par[2] : width of peak par[3] : shape of peak par[4] : background
Bases: pySAXS.models.model.Model
class monoSphere from LSSca for Spheres poly-Gauss Model by OT 10/06/2009
q array of q (A-1) par[0] Mean radius(A) par[1] FWHM (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Mean radius(A) par[1] FWHM (A) par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Spheres poly-Gauss analytique by DC : 18/06/2009
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Porod
for Porod Model by OT 10/06/2009
Porod model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1
Porod model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1
Bases: pySAXS.models.model.Model
Porod Curved
for Spheres poly-Gauss Model by OT 10/06/2009
Porod model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Porod model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Bases: pySAXS.models.model.Model
Porod Layer
for Spheres poly-Gauss Model by OT 10/06/2009
Porod Layer model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Porod Layer model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Bases: pySAXS.models.model.Model
Porod
for Porod Model by OT & CG 17/01/2012
Porod model to fit q-4 part at high q par[0] : B1 par[1] : rg
Bases: pySAXS.models.model.Model
Porod Layer
for Spheres poly-Gauss Model by OT 10/06/2009
Porod Layer model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : Principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Porod Layer model to fit q-4 part at high q par[0] : Scattering lenght density contrast in cm-2 par[1] : S/V cm-1 par[2] : Principal curvature 1 cm-1 par[3] : Principal curvature 2 cm-1
Bases: pySAXS.models.model.Model
Semi-gaussian shell distribution - analytical equation by DC : 22/06/2009
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Spheres polydisperses distribution semi-Gaussienne analytique by DC : 18/06/2009
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
Core Shell Particle by OT 10/06/2009
q array of q (A-1) par[0] Outer radius par[1] Inner Radius par[2] SLD of Shell par[3] SLD of Core par[4] Number density(cm-3)
q array of q (A-1) par[0] Outer radius par[1] Inner Radius par[2] SLD of Shell par[3] SLD of Core par[4] Number density(cm-3)
Bases: pySAXS.models.model.Model
Spray Dried Grain by OT 10/06/2009
q array of q (A-1) par[0] Semi major axis(A) par[1] Eccentricity par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Semi major axis(A) par[1] Eccentricity par[2] concentration of sphere (cm-3) par[3] scattering length density of sphere (cm-2) par[4] scattering length density of outside (cm-2)
Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OS 19/11/2011
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
Bases: pySAXS.models.model.Model
Trapez model by OT : 09/12/2011
Trapez model to fit the peak to get exact zero position, based on erf function par[0] : center par[1] : FWHM par[2] : slope par[3] : height par[4] : zero
Trapez model to fit the peak to get exact zero position, based on erf function par[0] : center par[1] : FWHM par[2] : slope par[3] : height par[4] : zero
Bases: pySAXS.models.model.Model
class monoSphere from LSSca by OS 19/11/2011
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
q array of q (A-1) par[0] radius of the sphere (in 1/q) par[1] Distance between centers (must be higher than 2R) par[2] scattering length density of sphere (cm-2) par[3] scattering length density of outside (cm-2) par[4] concentration of sphere (cm-3)
LIONS_SAXS python routines for small angle xray scattering. Model class version 0.1b 04/07/2010 04-07-2010 DC: calculation of residuals corrected in fitBounds 04-07-2010 DC: calculation of chi square corrected 03-07-2010 DC: syntax error on fitBounds corrected
Model class templates test
par is the list of all parameters (either to be fitted or not) Here the chi square is calculated assuming that the standard deviation equals the function
fit the model with fmin_tnc with bounds as bounds = [(0.0,10.0)] bounds must have same size than params
return bounds of parameters with a percent of aroundParam
residuals used for the fit with bounds (arguments for leastsq and fmin.tnc are different) par is the list of the parameters to be fitted
Bases: pySAXS.models.model.Model
Semi-gaussian shell distribution - analytical equation by DC : 22/06/2009
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)
q array of q (A-1) par[0] Mean radius(A) par[1] Gaussian standard deviation (A) par[2] concentration of spheres (cm-3) par[3] scattering length density of spheres (cm-2) par[4] scattering length density of outside (cm-2)