The function convertMzTab2MAF() is exporting the Abundances which are extracted
from the smlTable, while m/z and retention time come from the feature table.
The first version was assuming sml and smf had the same nrow() and ordering to avoid using any logic to put things together.
=> Tables should be linked via their IDs, and if multiple features are combined into one molecule, the average (or median ?) retention time should be calculated. PR coming.
Yours, Steffen.
The function
convertMzTab2MAF()is exporting the Abundances which are extracted from thesmlTable, while m/z and retention time come from the feature table. The first version was assuming sml and smf had the samenrow()and ordering to avoid using any logic to put things together. => Tables should be linked via their IDs, and if multiple features are combined into one molecule, the average (or median ?) retention time should be calculated. PR coming. Yours, Steffen.