Hello,
While running functional analysis locally (MetaboAnalystR) using the mummichog algorithm (v2), I notice that the Query.Mass returned in the output called mummichog_matched_compound_all.csv gives mass values that appear to be expanded (I assume by the value stored in the Mass.Diff column). This is making it difficult for me to link the feature annotations back to the original query masses provided in the mpr table input. For reference, I am using pairings of m/z and RT to name my untargeted features. Thus, in my final output which I have custom built, I would like to be able to link the putative annotations returned by mummichog together with the original feature names. Is there some other output from functional analysis that I could be using for this? If not, is there a way we could request an update to include another mass column in mummichog_matched_compound_all.csv to store the original mass information?
Many thanks!