plot_nist

<code>plot_nist</code> Plots the mass spectra of a NIST compound.

Provides complete detailed preprocessing of two-dimensional gas chromatogram (GCxGC) samples. Baseline correction, smoothing, peak detection, and peak alignment. Also provided are some analysis functions, such as finding extracted ion chromatograms, finding mass spectral data, targeted analysis, and nontargeted analysis with either the 'National Institute of Standards and Technology Mass Spectral Library' or with the mass data. There are also several visualization methods provided for each step of the preprocessing and analysis.

Stephanie Gamble

gcxgclab

GCxGC Preprocessing and Analysis

Mannion Joseph

Granger Caroline

Battelle Savannah River Alliance 

NNSA, US DOE 

plot_nist function

<dl><dt>nistlist</dt>
<dd>a list object, a list of compound MS data from the
NIST MS Library database, ideally the output of nist_list().</dd>
<dt>k</dt>
<dd>a integer object, the index of the NIST compound in the
nistlist input.</dd>
<dt>ms</dt>
<dd>a data.frame object, a data frame of the mass values and the
percent intensity values, ideally the output of find_ms().</dd>
<dt>title</dt>
<dd>a string object. Title placed at the top of the plot.
Default title "Mass Spectrum".</dd></dl>

Arguments

Plots the mass spectra of a NIST compound. — plot_nist

<dl>

<dt>nistlist</dt>
<dd>a list object, a list of compound MS data from the
NIST MS Library database, ideally the output of nist_list().</dd>


<dt>k</dt>
<dd>a integer object, the index of the NIST compound in the
nistlist input.</dd>


<dt>ms</dt>
<dd>a data.frame object, a data frame of the mass values and the
percent intensity values, ideally the output of find_ms().</dd>


<dt>title</dt>
<dd>a string object. Title placed at the top of the plot.
Default title "Mass Spectrum".</dd>

</dl>

plot_nist: Plots the mass spectra of a NIST compound.

Description

Usage

Value

Arguments

Details

References