newMbWorkspace

The input <code>msmsWorkspace</code> to load input data from.


Creates a new workspace for use with <code><a rd-options="" href="/link/mbWorkflow?package=RMassBank&version=2.0.0" data-mini-rdoc="RMassBank::mbWorkflow">mbWorkflow</a></code>.


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

newMbWorkspace function

Creates a new workspace for use with <code><a href="mbWorkflow" rd-options="">mbWorkflow</a></code>.

newMbWorkspace: Create new workspace for `mbWorkflow`

Description

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See Also