Files in michaelwitting/lipidomicsUtils

Utility functions for lipidomics

R/API_swiss_lipids.R R/Calc_acyl_mass.R R/Calc_lipid_mass.R R/Calc_sphingoid_mass.R R/Parser_functional_groups.R R/Parser_sphingoid_base.R R/Shorthand_GL.R R/Shorthand_GP.R R/Shorthand_SPH.R R/Shorthand_fa.R R/Utils_adduct_calc.R R/Utils_adduct_rules.R R/Utils_base_masses.R R/Utils_formula_math.R R/Utils_formula_parser.R R/parser_fatty_acyl.R R/parser_lipid_category.R README.md man/adduct_rules.Rd man/adduct_rules_neg.Rd man/adduct_rules_pos.Rd man/calc_adduct_mass.Rd man/calc_intact_acyl_formula.Rd man/calc_intact_acyl_mass.Rd man/calc_lipid_mass.Rd man/calc_lipid_masses.Rd man/calc_neutral_mass.Rd man/calc_residue_acyl_formula.Rd man/calc_residue_acyl_mass.Rd man/calc_sphingoid_formula.Rd man/calc_sphingoid_mass.Rd man/contains_formula.Rd man/create_ion_formula.Rd man/dot-acyl_formula.Rd man/dot-alkenyl_formula.Rd man/dot-alkyl_formula.Rd man/dot-get_fa_species_level.Rd man/dot-get_gl_acyl_level.Rd man/dot-get_gl_position_level.Rd man/dot-get_gl_species_level.Rd man/dot-get_gp_acyl_level.Rd man/dot-get_gp_position_level.Rd man/dot-get_gp_species_level.Rd man/dot-get_sph_position_level.Rd man/dot-get_sph_species_level.Rd man/formula_addition.Rd man/formula_subtraction.Rd man/formula_to_list.Rd man/get_adduct_names.Rd man/get_amino_groups.Rd man/get_amino_number.Rd man/get_bond_number.Rd man/get_carbon_number.Rd man/get_double_bonds.Rd man/get_fa_biggid.Rd man/get_fa_shorthand.Rd man/get_gl_shorthand.Rd man/get_gp_shorthand.Rd man/get_hydroxy_groups.Rd man/get_hydroxy_number.Rd man/get_keto_groups.Rd man/get_keto_number.Rd man/get_lipid_category.Rd man/get_lipid_mainclass.Rd man/get_lipid_subclass.Rd man/get_methyl_branches.Rd man/get_peroxy_groups.Rd man/get_peroxy_number.Rd man/get_sph_shorthand.Rd man/inchikey_to_swissid_exact.Rd man/inchikey_to_swissid_nocharge.Rd man/inchikey_to_swissid_structure.Rd man/isolate_fatty_acyls.Rd man/isolate_radyls.Rd man/isolate_sphingoid_base.Rd man/isolate_sphingoids.Rd man/list_to_formula.Rd man/standardize_formula.Rd tests/testthat/test_api_swiss_lipids.R tests/testthat/test_formula_calculation_blocks.R tests/testthat/test_formula_ions.R tests/testthat/test_formula_math.R tests/testthat/test_formula_parser.R tests/testthat/test_mass_adduct_calc.R tests/testthat/test_mass_calculation_blocks.R tests/testthat/test_mass_calculation_lipids.R tests/testthat/test_parser_fatty_acyl.R tests/testthat/test_parser_functional_group.R tests/testthat/test_parser_lipid_category.R tests/testthat/test_parser_sphingoid_base.R tests/testthat/test_shorthand_fa.R tests/testthat/test_shorthand_gl.R tests/testthat/test_shorthand_gp.R tests/testthat/test_shorthand_sph.R vignettes/lipid-parsing.Rmd