calc_ma_abs

This function calculates the absolute mass accuracy range for a neutral mass (m) at a given a mass accuracy (ma_dev).

misc

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_ma_abs function

<dl><dt>m</dt>
<dd>Measured mass</dd>
<dt>ma_dev</dt>
<dd>Mass accuracy in +/- parts per million (ppm)</dd>
<dt>...</dt>
<dd>Additional arguments passed to methods.</dd></dl>

Arguments

Calculate absolute mass accuracy range (ma) — calc_ma_abs

<dl>

<dt>m</dt>
<dd>Measured mass</dd>


<dt>ma_dev</dt>
<dd>Mass accuracy in +/- parts per million (ppm)</dd>


<dt>...</dt>
<dd>Additional arguments passed to methods.</dd>

</dl>

calc_ma_abs: Calculate absolute mass accuracy range (ma)

Description

Usage

Value

Arguments

Examples