clust

Clustering for MS peaks based on mz or RT.

internal

Lipid annotation in untargeted LC-MS lipidomics based on fragmentation rules. Alcoriza-Balaguer MI, Garcia-Canaveras JC, Lopez A, Conde I, Juan O, Carretero J, Lahoz A (2019) <doi:10.1021/acs.analchem.8b03409>.

M Alcoriza-Balaguer

LipidMS

Lipid Annotation for LC-MS/MS DDA or DIA Data

clust function

<dl><dt>values</dt>
<dd>values to clusterize (mz or RT).</dd>
<dt>mins</dt>
<dd>lower bound for each value.</dd>
<dt>maxs</dt>
<dd>higher bound for each value.</dd>
<dt>samples</dt>
<dd>numeric vector that indicates to which sample each value belongs.</dd>
<dt>unique.samples</dt>
<dd>logical. FALSE if several measures from the same sample 
can be clusterized together.</dd>
<dt>maxdist</dt>
<dd>maximum distance allowed within a cluster.</dd>
<dt>ppm</dt>
<dd>logical. TRUE if maxdist is given in ppm.</dd></dl>

Arguments

M Isabel Alcoriza-Balaguer &lt;maialba@iislafe.es&gt;

Author

Clustering for MS peaks based on mz or RT. — clust

<dl>

<dt>values</dt>
<dd>values to clusterize (mz or RT).</dd>


<dt>mins</dt>
<dd>lower bound for each value.</dd>


<dt>maxs</dt>
<dd>higher bound for each value.</dd>


<dt>samples</dt>
<dd>numeric vector that indicates to which sample each value belongs.</dd>


<dt>unique.samples</dt>
<dd>logical. FALSE if several measures from the same sample 
can be clusterized together.</dd>


<dt>maxdist</dt>
<dd>maximum distance allowed within a cluster.</dd>


<dt>ppm</dt>
<dd>logical. TRUE if maxdist is given in ppm.</dd>

</dl>

clust: Clustering for MS peaks based on mz or RT.

Description

Usage

Value

Arguments

Author