change point of view of SpectrumIdentification results

[GoogleCodeExporter]

Current schema: Option I,
proposed: switch point of view (Option II)

Option I 

        (matches for a spectrum or set of spectra) 

                (pointer to that spectrum or set of spectra as evidence) 

                (possible identification 1 - actually for analyte 1) 
                (possible identification 2 - actually for analyte 2) 
                (possible identification 3 - actually for analyte 1) 

Option II 

        (one detected analyte - analyte 1) 

                (pointer to spectrum or set of spectra as evidence) 

                (possible identification 1) 
                (possible identification 3) 

        (a second detected analyte - analyte 2) 

                (pointer to the same spectrum or set of spectra as for
analyte 1) 

                (possible identification 2) 

Sean, e-Mail 2nd of May, 2008:
"This can actually go to quite an extreme with the Water MS^e approach,
although I think they have an intermediate single spectrum that is actually
peaks pulled from many different MSMS spectra. Regardless of whether it's
the way to solve MS^e, I think Option II is the more general view that we
should take. If a tool does not differentiate between multiple analytes,
there's nothing that prevents putting all hypotheses into a single analyte
detection using Option II. Option I, however, excludes being more
sophisticated."

Original issue reported on code.google.com by eisena...@googlemail.com on 8 May 2008 at 3:00

[GoogleCodeExporter]

The current schema has a spectrum-centered point of view (Option I). May be 
changed
to an analyte-centered view if good arguments and an appropriate use case are 
given
(could be interesting for quantification, milestone 2).

Original comment by eisena...@googlemail.com on 17 Jun 2008 at 12:10

• Changed state: Fixed