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  "Title": "Efficient Calculation of Fine Structure Isotope Patterns via\nFourier Transforms of Simplex-Based Elemental Models",
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  "Description": "Provides a function that quickly computes the fine\nstructure isotope patterns of a set of chemical formulas to a\ngiven degree of accuracy (up to the limit set by errors in\nfloating point arithmetic). A data-set comprising the masses\nand isotopic abundances of individual elements is also provided\nand calculation of isotopic gross structures is also supported.",
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    "User": "root"
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  "Author": "Andreas Ipsen [aut, cre]\n(<https://orcid.org/0000-0002-2566-8811>)",
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