stackedSpectra

A data to test the `spectra_integrator` function.

datasets

The 'IDSL.FSA' package was designed to annotate standard .msp (mass spectra format) and .mgf (Mascot generic format) files using mass spectral entropy similarity, dot product (cosine) similarity, and normalized Euclidean mass error (NEME) followed by intelligent pre-filtering steps for rapid spectra searches. 'IDSL.FSA' also provides a number of modules to convert and manipulate .msp and .mgf files. The 'IDSL.FSA' workflow was integrated in the 'IDSL.CSA' and 'IDSL.NPA' packages introduced in <doi:10.1021/acs.analchem.3c00376>.

Dinesh Barupal

IDSL.FSA

Fragmentation Spectra Analysis (FSA)

Sadjad Fakouri-Baygi

stackedSpectra function

<dl>
 <dt><code>mz</code></dt>
<dd>a numeric vector of m/z values</dd> <dt><code>int</code></dt>
<dd>a numeric vector of intensities</dd> <dt><code>scan_number</code></dt>
<dd>a numeric vector of chromatogram scan numbers</dd> 
</dl>

Format

Example for a stacked spectra — stackedSpectra

<dl>
 <dt><code>mz</code></dt>
<dd>a numeric vector of m/z values</dd>

 <dt><code>int</code></dt>
<dd>a numeric vector of intensities</dd>

 <dt><code>scan_number</code></dt>
<dd>a numeric vector of chromatogram scan numbers</dd>

 
</dl>

stackedSpectra: Example for a stacked spectra

Description

Usage

Arguments

Format

Details

Examples