checkSpectra

checkSpectra,RmbSpectraSet,character-method

The  (<code>RmbSpectraSet</code>) to check

The property to check (<code>found</code>, <code>complete</code> or <code>empty</code>)

property


Checks if a specific compound (<code>RmbSpectraSet</code>) was found with child spectra in the raw file (<code>found</code>), 
has a complete set of MS2 spectra with useful peaks (<code>complete</code>), or is empty (note: spectra are currently not ever
marked empty - empty should mean found, but no useful peaks at all. This is not yet currently tested.)


Workflow to process tandem MS files and build MassBank records.
Functions include automated extraction of tandem MS spectra, formula
assignment to tandem MS fragments, recalibration of tandem MS spectra with
assigned fragments, spectrum cleanup, automated retrieval of compound
information from Internet databases, and export to MassBank records.

RMassBank at Eawag

RMassBank

Workflow to process tandem MS files and build MassBank records

checkSpectra function

<ul>
<li> <code>s = RmbSpectraSet,property = character</code>: 
</li>
</ul>

Methods (by class)

Checks if a specific compound (<code>RmbSpectraSet</code>) was found with child spectra in the raw file (<code>found</code>), 
has a complete set of MS2 spectra with useful peaks (<code>complete</code>), or is empty (note: spectra are currently not ever
marked empty - empty should mean found, but no useful peaks at all. This is not yet currently tested.)

checkSpectra: Check if a spectra set is found, complete, empty

Description

Usage

Arguments

Value

Methods (by class)