XML syntax - miscellaneous

There are a variety of additional, miscellaneous parameters to control the behaviour of the yanera program. Put these options between <miscellaneous_section/> tags.

    <write_results>YES</write_results>

Write a XML file of the results. This file is always named "results.xml". Default: no.

    <write_profile>YES</write_profile>

Write the SLD profile to file. File names are taken from the data file name and the file type .pro is appended. If no data files are specified, the the default file name is "result_01.pro", where the number increments with the number of models. Default: yes.

    <write_reflectivity>YES</write_reflectivity>

Write the reflectivity curve to file. File names are taken from the data file name and the file type .ref is appended. If no data files are specified, the the default file name is "result_01.ref", where the number increments with the number of models. Default: yes.

    <write_slabs>YES</write_slabs>

Write the small-slabs approximation of the profile to file. File names are taken from the data file name and the file type .slb is appended. If no data files are specified, the the default file name is "result_01.slb", where the number increments with the number of models. Default: no.

    <q_min> 0.000</q_min>
    <q_max> 0.450</q_max>
    <q_num>201</q_num>

Specify the minimum and maximum value of $q$

, and the number of steps, when writing the reflectivity curve to file. Default: 1.0E-5 to 0.2 in 201 steps

    <z_num>201</z_num>

Specify the number of data points, when writing the SLD curve, $\rho(z)$ , to file. Minimum and maximum value of $z$

are determined by the program, based on the model. Default: 201 steps.

    <quadrature_error>5.0E-03</quadrature_error>

This is the tolerance in the adaptive quadrature method to divide the analytical SLD profile into small slabs for calculating the reflectivity. Default: 5.0E-03.

    <quadrature_thik>5.0E-03</quadrature_thik>

This is the maximum size of the small-slabs in the adaptive quadrature method. See Performing Quadrature. Default: 100.0.

    <fit_do>NO</fit_do>

Specifies whether to do a fit to the data. Default: no.

    <fit_weighting>NO</fit_weighting>

Data should be in two columns, $x,y$

or three columns, $x,y,\sigma$ . The tag describes what type of weights are be used for the fitting, in terms of the uncertainty in the $y$

measurements, $\sigma$ . Choosing WEIGHT_NONE sets $\sigma = 1$ . Choosing WEIGHT_R or WEIGHT_SQRT sets $\sigma = y$ or $\sqrt{y}$ , respectively. The final choice WEIGHT_DATA is to use the reported error from the data file, which should be in the third column. Default: WEIGHT_NONE.

    <fit_iterations>50</fit_iterations>

Specifies the number of iterations of fitting. Default: 25.

    <fit_write_iterations>50</fit_write_iterations>

Specifies the number of iterations between writing the current state of the fit to file. Default: 5.

    <fit_method>LMDR</fit_method>

Specifies the method of fitting. See the section Fitting methods. Default: LMDR.