peaks_rts

Locate the maxima of the peaks corresponding to the retention times.

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 

peaks_rts function

<dl><dt>raw_data</dt>
<dd>time versus intensity dataframe.</dd>
<dt>retention_times</dt>
<dd>retention time file.</dd>
<dt>rt_index</dt>
<dd>which method to evaluate for.</dd>
<dt>bl_noise</dt>
<dd>constant level at which response should be considered as noise.</dd></dl>

Arguments

peak calculations with retention times — peaks_rts

<dl>

<dt>raw_data</dt>
<dd>time versus intensity dataframe.</dd>


<dt>retention_times</dt>
<dd>retention time file.</dd>


<dt>rt_index</dt>
<dd>which method to evaluate for.</dd>


<dt>bl_noise</dt>
<dd>constant level at which response should be considered as noise.</dd>

</dl>

peaks_rts: peak calculations with retention times

Description

Usage

Value

Arguments