Changeset 8ae8532 in sasmodels for doc/guide/sesans/sesans_fitting.rst
- Timestamp:
- May 7, 2017 4:24:16 PM (7 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 990d8df
- Parents:
- 630156b
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doc/guide/sesans/sesans_fitting.rst
r3330bb4 r8ae8532 7 7 =================== 8 8 9 .. note:: A proper installation of the developers setup of SasView (http://trac.sasview.org/wiki/AnacondaSetup) is a prerequisite for using these instructions. 9 .. note:: 10 11 A proper installation of the developers setup of SasView 12 (http://trac.sasview.org/wiki/AnacondaSetup) is a prerequisite for 13 using these instructions. 10 14 11 15 It is possible to fit SESANS measurements from the command line in Python. … … 13 17 Simple Fits 14 18 ........... 15 In the folder sasmodels/example the file sesans_sphere_2micron.py gives an example of how to fit a shape to a measurement. 19 In the folder sasmodels/example the file sesans_sphere_2micron.py gives 20 an example of how to fit a shape to a measurement. 16 21 17 22 The command:: … … 23 28 .. image:: sesans_img/SphereLineFitSasView.png 24 29 25 All the parameters and names in sesans_sphere_2micron.py (shown below) can be adjusted to fit your own problem:: 30 All the parameters and names in sesans_sphere_2micron.py (shown below) can 31 be adjusted to fit your own problem:: 26 32 27 33 """ … … 64 70 # Constraints 65 71 # model.param_name = f(other params) 66 # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius and scale are model functions and phi is67 # a custom parameter72 # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius 73 # and scale are model functions and phi is a custom parameter 68 74 model.scale = phi*(1-phi) 69 75 … … 74 80 Incorporating a Structure Factor 75 81 ................................ 76 An example of how to also include a structure factor can be seen in the following example taken from Washington et al., 77 *Soft Matter*\, (2014), 10, 3016 (dx.doi.org/10.1039/C3SM53027B). These are time-of-flight measurements, which is the 78 reason that not the polarisation is plotted, but the :math:`\frac{log(P/P_0)}{\lambda^2}` . The sample is a dispersion 79 of core-shell colloids at a high volume fraction with hard sphere interactions. 82 An example of how to also include a structure factor can be seen in the 83 following example taken from Washington et al., *Soft Matter*\, (2014), 10, 3016 84 (dx.doi.org/10.1039/C3SM53027B). These are time-of-flight measurements, which 85 is the reason that not the polarisation is plotted, but the 86 :math:`\frac{log(P/P_0)}{\lambda^2}` . The sample is a dispersion of 87 core-shell colloids at a high volume fraction with hard sphere interactions. 80 88 81 89 The fit can be started by:: … … 87 95 .. image:: sesans_img/HardSphereLineFitSasView.png 88 96 89 The code sesans_parameters_css-hs.py can then be used as a template for a fitting problem with a structure factor:: 97 The code sesans_parameters_css-hs.py can then be used as a template for a 98 fitting problem with a structure factor:: 90 99 91 100 """ … … 131 140 # Constraints 132 141 # model.param_name = f(other params) 133 # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius and scale are model functions and phi is134 # a custom parameter142 # EXAMPLE: model.scale = model.radius*model.radius*(1 - phi) - where radius 143 # and scale are model functions and phi is a custom parameter 135 144 model.scale = phi*(1-phi) 136 145 model.volfraction = phi
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