MSeasyToARISTO: Convert output files from the function MS.clust into...
In MSeasy: Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data

Description Usage Arguments Value Author(s) See Also Examples

MSeasyToARISTO convert the output files output_peak or output_cluster generated by MS.clust to the ARISTO webtool. ARISTO is a webtool that provides ontology of submitted compounds http://www.ionspectra.org/aristo/batchmode/. It is possible to consider only a subset of selected clusters.

1	MSeasyToARISTO(filename="", outfilename="", cluster="")

`filename`	input text file as returned by MS.clust (`Output_peak.txt` or `Output_cluster.txt`. If left empty a popup window opens to browse your computer)
`outfilename`	Name of the converted file for ARISTO (if left empty default is ForARISTO
`cluster`	If `cluster` = numeric(), to select one or a subset of clusters for submission to ARISTO.

A file compatible with the ARISTO webtool is created in a new folder output_MStoARISTO_result_time

Yann Guitton

tcltk, http://www.ionspectra.org/aristo/batchmode/

#Not run
## Not run:  
pathexample<-system.file("doc/Output_examples",
package="MSeasy")

MSeasyToARISTO(file.path(pathexample,"Output_peak21.txt"), cluster=1)
MSeasyToARISTO(file.path(pathexample,"Output_cluster21.txt"), cluster=1)

## End(Not run)