write.msp

Cluster annotation function: inference of 'M' - molecular weight of the compound giving rise to each spectrum - using the InterpretMSSpectrum::findMain function

A feature clustering algorithm for non-targeted mass spectrometric metabolomics data. This method is compatible with gas and liquid chromatography coupled mass spectrometry, including indiscriminant tandem mass spectrometry data <DOI: 10.1021/ac501530d>.

Helge Hecht

RAMClustR

Mass Spectrometry Metabolomics Feature Clustering and
Interpretation

Corey D. Broeckling

Fayyaz Afsar

Steffen Neumann

Asa Ben-Hur

Jessica Prenni

Matej Trojak

Zargham Ahmad

write.msp function

<dl><dt>ramclustObj</dt>
<dd>ramclustR object to annotate.</dd>
<dt>one.file</dt>
<dd>logical, should all msp spectra be written to one file? If false, each spectrum is an individual file.</dd></dl>

Arguments

Author

write.msp — write.msp

<dl>

<dt>ramclustObj</dt>
<dd>ramclustR object to annotate.</dd>


<dt>one.file</dt>
<dd>logical, should all msp spectra be written to one file? If false, each spectrum is an individual file.</dd>

</dl>

write.msp: write.msp

Description

Usage

Value

Arguments

Author

Details