<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Efficient Calculation of Fine Structure Isotope Patterns via
Fourier Transforms of Simplex-Based Elemental Models</dc:title>
  <dc:title>R package ecipex version 1.1.1</dc:title>
  <dc:description>Provides a function that quickly computes the fine structure
    isotope patterns of a set of chemical formulas to a given degree of
    accuracy (up to the limit set by errors in floating point arithmetic). A
    data-set comprising the masses and isotopic abundances of individual
    elements is also provided and calculation of isotopic gross structures
    is also supported.</dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Imports: CHNOSZ</dc:relation>
  <dc:creator>Andreas Ipsen &lt;andreas.b.ipsen@gmail.com&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Andreas Ipsen [aut, cre] (ORCID:
    &lt;https://orcid.org/0000-0002-2566-8811&gt;)</dc:contributor>
  <dc:rights>GPL (&gt;= 2)</dc:rights>
  <dc:date>2025-04-21</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=ecipex</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.ecipex</dc:identifier>
</oai_dc:dc>
