.load_peaklist_file

Internal helper for <code>as_peaklist()</code> that reads a peaklist from a file.
Supports common tabular formats, including:<ul>
<li>CSV (<code>.csv</code>)</li>
<li>TSV (<code>.tsv</code>, <code>.txt</code>)</li>
<li>RDS (<code>.rds</code>)</li>
</ul>Column names are not altered here; normalization happens later in
<code>as_peaklist()</code> via <code>.normalize_column_aliases()</code>.

internal

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

.load_peaklist_file function

<dl><dt>path</dt>
<dd>Character string. Path to the file to be read.</dd></dl>

Arguments

Internal helper for <code>as_peaklist()</code> that reads a peaklist from a file.
Supports common tabular formats, including:<ul>
<li>CSV (<code>.csv</code>)</li>
<li>TSV (<code>.tsv</code>, <code>.txt</code>)</li>
<li>RDS (<code>.rds</code>)</li>
</ul>

Column names are not altered here; normalization happens later in
<code>as_peaklist()</code> via <code>.normalize_column_aliases()</code>.

Load a peaklist from file — .load_peaklist_file

<dl>

<dt>path</dt>
<dd>Character string. Path to the file to be read.</dd>

</dl>

.load_peaklist_file: Load a peaklist from file

Description

Usage

Value

Arguments

See Also