Export internally stored MassBank data to files
Exports MassBank recfile data arrays and corresponding molfiles to physical files on hard disk, for one compound.
Is ONE "compiled" entry, i.e. ONE compound with e.g. 14
spectra, as returned from
A n-membered array (usually a return value from
A molfile from
The data from
compiled is still used here, because it contains the
"visible" accession number. In the plain-text format contained in
files, the accession number is not "accessible" anymore since it's in
No return value.
An improvement would be to write the accession numbers into
names(compiled) and later into
wouldn't be needed here anymore. (The compound ID would have to go into
names(molfile), since it is also retrieved from
MassBank record format: http://www.massbank.jp/manuals/MassBankRecord_en.pdf
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