Calculate the optimal parameter values for given objectives.

A graphical user interface to apply an advanced method optimization algorithm to various sampling and analysis instruments. This includes generating experimental designs, uploading and viewing data, and performing various analyses to determine the optimal method. Details of the techniques used in this package are published in Gamble, Granger, & Mannion (2024) <doi:10.1021/acs.analchem.3c05763>.

Stephanie Gamble

MethodOpt

Advanced Method Optimization for Spectra-Generating Sampling and
Analysis Instrumentation

Benjamin Luke

Battelle Savannah River Alliance 

opt function

<dl><dt>objectives</dt>
<dd>objectives input by user.</dd>
<dt>bbd</dt>
<dd>Box-Behnken design.</dd>
<dt>results</dt>
<dd>objective results.</dd>
<dt>lim_fac</dt>
<dd>limiting factors.</dd>
<dt>valid_range_data</dt>
<dd>ranges of validity corresponding to the limiting factors.</dd></dl>

Arguments

Optimization algorithm — opt

<dl>

<dt>objectives</dt>
<dd>objectives input by user.</dd>


<dt>bbd</dt>
<dd>Box-Behnken design.</dd>


<dt>results</dt>
<dd>objective results.</dd>


<dt>lim_fac</dt>
<dd>limiting factors.</dd>


<dt>valid_range_data</dt>
<dd>ranges of validity corresponding to the limiting factors.</dd>

</dl>

opt: Optimization algorithm

Description

Usage

Value

Arguments