Changelog • GetFeatistics

GetFeatistics v1.1

Created the new function calculate_neutral_mass(), that calculates the neutral mass for each given observed m/z and estimated adduct.
Added the argument add_neutral_mass_calc to the function get_feat_info_from_MSDial(). If TRUE is passed to it, the function calculate_neutral_mass() is internally applied and those calculated neutral masses are added in a new column called ‘neutral_mass_calc’.

the requirement of installing git before installing this package has been added in the README and in the vignettes.
minor update in gentab_P.t.test(), gentab_P.1wayANOVA_posthocTukeyHSD(), gentab_P.2wayANOVA_posthocTukeyHSD(): if groupdiff is TRUE and FDR is TRUE, the differences between groups are now showed both considering p-values and FDR corrected p-values (before, if FDR was TRUE, they were showed considering exclusively FDR corrected p-values).

Fix: gentab_P.t.test() now performs paired t-tests correctly by using the vector interface of stats::t.test() (rather than the formula method), preventing errors when paired = TRUE.

released along with the paper

Frigerio G (2025). “Streamlining feature elaboration and statistics analysis in metabolomics: the GetFeatistics R-package.” Journal of Integrative Bioinformatics. https://doi.org/10.1515/jib-2025-0047.