Additional file 1.
GC/TOFMS peaks according to PLS-DA identified as important for explaining the difference between genotypes. GC/TOFMS peaks according to PLS-DA identified as important for explaining the difference between genotypes. aPeaks are named according to UPSC- in-house mass spectra library. bAnnotation of peaks were performed by comparing mass spectrum and retention index (RI) with the cUPSC in-house mass spectra library or the or the mass spectra library maintained by the Max Planck Institute (MPI) in Golm http://csbdb.mpimp-golm.mpg.de/csbdb/gmd/gmd.html webcite. dPeaks annotated or classified according "M000000..." are identical or similar to non-annotated mass spectra in the MPI-library. Naming refers to MPI-spectra numbering. eTentatively identified. fFirst loading vector (w) from the PLS-DA model between npq4 and oePsbS plants describes the importance of different GC/MS peaks for explaining the differences between the two genotypes; The values can vary between -1 and +1, and negative values are peaks correlated with oePsbS, positive values are peaks correlated with npq4. UPSC mass spectra will be available for download on UPSC homepage.
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Frenkel et al. BMC Plant Biology 2009 9:12 doi:10.1186/1471-2229-9-12