Changelog • GetFeatistics

GetFeatistics v1.2

Fix: several functions in which the names of metabolites (usually the argument v or dep) needed to be passed already fixed (for example with no special characters) can now be passed as they are (the fix is performed inside the functions and then the names are back to normal just before exporting the results).

Fix: zero_prefixing() now correctly reports the number of zeros when the number passed to the ‘highest’ argument is usually showed with the scientific notation (for example for 100000000 as ‘highest’, before it reported a reduced numbers of zeros because it was wrongly counting the number of characters in “1e+08”. Now that has been fixed)

Fix: gentab_FC_more_than2levels() now correctly report the paired comparison order in the column names (before it just showed the opposite order of the two groups if second_to_first_ratio was TRUE)

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.