exptable

An example of a table used to construct a database of
  standards. This particular table is used to obtain object <code>LCDBtest</code>.

datasets

MS-based metabolomics data processing and compound
annotation pipeline.

Ron Wehrens

metaMS

MS-based metabolomics annotation pipeline

exptable function

<code>exptable</code> is a <code>data.frame</code> summarizing information on the
  chemical standards used for creating a database. Column description:
  <dl>
    <dt>ChemSpiderID</dt><dd>The Chemspider ID of a specific compound.</dd> <dt>compound</dt><dd>A string containing the (human) readable name of the
      compound.</dd> <dt>formula</dt><dd>The formula of the compound.</dd> <dt>M.ref</dt><dd>The theoretical value for the observed m/z reference
      ion. This can be, for example, the protonated (de-protonated) molecular
      ion, a known adduct or a characteristic fragment.</dd> <dt>mz.observed</dt><dd>The manually validated m/z value of the reference
      ion.</dd> <dt>RTman</dt><dd>The manually validated retention time value for the standard.</dd> <dt>stdFile</dt><dd>The name (including the path) of the raw data file of the
      standard.</dd> </dl> 

exptable: Sample table for the generation of a database of standards (LCMS)

Description

Usage

Arguments

Format

Details

See Also