calc_simpson_index

The Simpson diversity index is calculated to measure the probability that two randomly selected individuals
(e.g., molecular formulas) belong to the same category. It quantifies the dominance or evenness within a dataset.
The Simpson index is defined as:
$$D = \sum (p_i^2)$$
where:<ul>
<li>$p_i$ is the relative abundance of the $i$-th molecular formula.</li>
</ul>The index ranges between 0 and 1:<ul>
<li>A value near 0 indicates high diversity (even distribution of abundances).</li>
<li>A value of 1 indicates no diversity (one molecular formula dominates).</li>
</ul>

Provides tools for assigning molecular formulas from exact masses
obtained by ultrahigh-resolution mass spectrometry. The methodology follows
the workflow described in Leefmann et al. (2019) <doi:10.1002/rcm.8315>.
The package supports the inspection, filtering and visualization of
molecular formula data and includes utilities for calculating common
molecular parameters (e.g., double bond equivalents, DBE). A graphical
user interface is available via the 'shiny'-based 'ume' application.

Boris Koch

Ultrahigh-Resolution Mass Spectrometry Data Evaluation for
Complex Organic Matter

calc_simpson_index function

<dl><dt>mf</dt>
<dd>Character vector. A list of unique molecular formulas.</dd>
<dt>magnitude</dt>
<dd>Numeric vector. A list of respective abundances (intensities) for each molecular formula.
Must be non-negative and have the same length as <code>mf</code>.</dd></dl>

Arguments

The Simpson diversity index is calculated to measure the probability that two randomly selected individuals
(e.g., molecular formulas) belong to the same category. It quantifies the dominance or evenness within a dataset.
The Simpson index is defined as:
$$D = \sum (p_i^2)$$
where:<ul>
<li>$p_i$ is the relative abundance of the $i$-th molecular formula.</li>
</ul>

The index ranges between 0 and 1:<ul>
<li>A value near 0 indicates high diversity (even distribution of abundances).</li>
<li>A value of 1 indicates no diversity (one molecular formula dominates).</li>
</ul>

Calculate the Simpson Diversity Index — calc_simpson_index

<dl>

<dt>mf</dt>
<dd>Character vector. A list of unique molecular formulas.</dd>


<dt>magnitude</dt>
<dd>Numeric vector. A list of respective abundances (intensities) for each molecular formula.
Must be non-negative and have the same length as <code>mf</code>.</dd>

</dl>

calc_simpson_index: Calculate the Simpson Diversity Index

Description

Usage

Value

Arguments

Examples