xaxis ( min = 0, max = 130, charsize = 1.5, label = 't / ns' ) p.
lastfit, symbol = 0, line = ) # pretty up if needed p. plot ( i5, symbol =, legend = 'Q=$q' ) # plot fit results in lastfit as lines without symbol or legend p. grace ( 1.2, 0.8 ) # plot the data with Q values in legend as symbols p. showlastErrPlot ( yscale = 'l' ) # open a plot with fixed size and plot data and fit result p = js. fit ( model = diffusion, # the fit function freepar = ) # map names from model to data # open plot with results and residuals i5. exp ( - wavevector ** 2 * D * t ) + e # do the fit # single valued start parameters are the same for all 16 dataArrays # list start parameters indicate independent fitting for dataArrays # the command line shows progress and the final result, which is found in i5.lastfit i5. datapath + '/iqt_1hho.dat' ) # define a model for the fit diffusion = lambda A, D, t, wavevector, e = 0 : A * np. # import jscatter and numpy import numpy as np import jscatter as js # read the data (16 dataArrays) with attributes as q, Dtrans. See Examples and Beginners Guide / Help or WaterXrayScattering() -> Absolute scattering of water with components (salt, buffer) Smear() -> Smearing enabling simultaneous fits of differently smeared SANS/SAXS dataĭesmear() -> Desmearing according to the Lake algorithm for the above OrientedCloudScattering() -> 2D scattering of an oriented cloud of scatterersįiniteZimm() -> Zimm model with internal friction -> intermediate scattering functionĭiffusionHarmonicPotential() -> Diffusion in harmonic potential-> intermediate scattering function MultiShellCylinder() -> Formfactor of multi shell cylinder particles with caps MultiShellSphere() -> Formfactor of multi shell spherical particles HydrodynamicFunct() -> Hydrodynamic function from hydrodynamic pair interaction RMSA() -> Rescaled MSA structure factor for dilute charged colloidal dispersions SedimentationProfile() -> The Lamm equation of sedimenting particles Waterdensity() -> Density of water (H2O/D2O) with inorganic substances ScatteringLengthDensit圜alc() -> Electron density, coh and inc neutron scattering length, mass The model library can also be used for other purposes and may be extended by users need. Models save parameters as attributes for later access/documentation. Or specialised models for scattering in formfactor (ff), structurefactor (sf) The model library contains general purpose routines e.g.
HOMEBREW XQUARTZ HOW TO
See How to build simple models and How to build a more complex model.
Models can be defined as normal functions within a script or in interactive session By intention the user should write own models or modify existing ones to combine different contributions
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