nist_list

<code>nist_list</code> creates a list of the data from the NIST MS
database.

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 

nist_list function

<dl><dt>nistfile</dt>
<dd>a string object, the file name or path of the MSP file
for the NIST MS Library database.</dd>
<dt>...</dt>
<dd>additional optional string objects, the file names or paths
of the MSP file for the NIST MS Library if the data base is broken into
multiple files.</dd></dl>

Arguments

Creates list of NIST data — nist_list

<dl>

<dt>nistfile</dt>
<dd>a string object, the file name or path of the MSP file
for the NIST MS Library database.</dd>


<dt>...</dt>
<dd>additional optional string objects, the file names or paths
of the MSP file for the NIST MS Library if the data base is broken into
multiple files.</dd>

</dl>

nist_list: Creates list of NIST data

Description

Usage

Value

Arguments

Details