Man pages for shutinet/metabSeek
Search in several databases metabolites masses or spectras
| adducts_df | Adduct list |
| build_db | Build database |
| cbind_forced | Bind columns of two dataframes or matrices |
| check_args | Check R expression(s) |
| check_cas | Test validity of CAS |
| check_inchikey | Test validity of InChIKey(s) |
| check_inputs | Check shiny inputs |
| format_db | Format dataframe of compounds from a database |
| format_formula | Format chemical formulas |
| format_inchikey | Format InChIKeys |
| format_int | Format integers |
| format_text | Format text |
| get_basepeak_mass | Get basepeak m/z |
| get_CHEBI_db | Get the ChEBI database |
| get_mass_range | Get mass error range |
| grapes-not-in-grapes | Is variable not in a vector? |
| havingIP | Test internet connection |
| hit_mzs | Search correspondance between m/z measured & the database |
| isotopes_df | Stable isotopes |
| launch_app | Launch the shiny app |
| mzs_to_mass | convert charged m/z to neutral mass |
| na_row_omit | Remove row with NA |
| shiny_error | Show error message |
| shiny_valid | Show a validation message |
| try_it | Custom trycatch block |
