FSA_aggregate

This module is to optimize the `indexVec` variable by removing elements that have redundant `idVec` numbers.

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

FSA_aggregate function

<dl> <dt>idVec</dt>
<dd>a vector of id numbers. Repeated id numbers are allowed</dd> <dt>variableVec</dt>
<dd>a vector of variable of the interest such as RT, m/z, etc.</dd> <dt>indexVec</dt>
<dd>a vector of indices</dd> <dt>targetVar</dt>
<dd>the targeted value in `variableVec`</dd></dl>

Arguments

aggregation method for FSA — FSA_aggregate

<dl>

 <dt>idVec</dt>
<dd>a vector of id numbers. Repeated id numbers are allowed</dd>

 <dt>variableVec</dt>
<dd>a vector of variable of the interest such as RT, m/z, etc.</dd>

 <dt>indexVec</dt>
<dd>a vector of indices</dd>

 <dt>targetVar</dt>
<dd>the targeted value in `variableVec`</dd>

</dl>

FSA_aggregate: aggregation method for FSA

Description

Usage

Value

Arguments