The template ROI_cell contains the targeted list of metabolites to be quantified (cell samples)
data("ROI_cell")
ROI_cell[ROI_cell$Metabolite == "Valine", ]
#> ROI.left.edge..ppm. ROI.right.edge..ppm. Quantification.Mode Metabolite
#> 3 1.02 0.973 Baseline Fitting Valine
#> 5 1.06 1.015 Baseline Fitting Valine
#> Quantification.Signal Chemical.shift.ppm. Chemical.shift.tolerance..ppm.
#> 3 2 0.9850 0.02
#> 5 1 1.0356 0.02
#> Half.bandwidth..Hz. Multiplicity J.coupling..Hz. Roof.effect HMDB_code
#> 3 1.4 2 7.01 0 <NA>
#> 5 1.4 2 7.05 0 <NA>