README.md
In LiChenPU/Formula_manipulation: Package handling formula
Formula_manipulation
- my_calculate_formula: Merge two formulas or substract formula2 from formula1
- formula_mz: given a formula, return the exact mass
- formula_rdbe: given a formula, return the ring and double bond equivalent (rdbe)
- isotopic_abundance: given a formula and an isotope, return the relative abundance of that isotopic form
- mz_formula: given an accurate mass, charge, elemental constraint, and ppm tolerance, guess possible formula
- my_break_formula: given a formula, return its elements and their numbers
- elem_num_query: query the number of an element in a formula
- elem_table.rda, full_isotopes.rda, periodic_table.rda: Contains periodic table information
LiChenPU/Formula_manipulation documentation built on Jan. 15, 2022, 8:25 p.m.
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Formula_manipulation
- my_calculate_formula: Merge two formulas or substract formula2 from formula1
- formula_mz: given a formula, return the exact mass
- formula_rdbe: given a formula, return the ring and double bond equivalent (rdbe)
- isotopic_abundance: given a formula and an isotope, return the relative abundance of that isotopic form
- mz_formula: given an accurate mass, charge, elemental constraint, and ppm tolerance, guess possible formula
- my_break_formula: given a formula, return its elements and their numbers
- elem_num_query: query the number of an element in a formula
- elem_table.rda, full_isotopes.rda, periodic_table.rda: Contains periodic table information
R Package Documentation
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We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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