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Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform

Andreas Ipsen

Analytical Chemistry, Volume: 86, Issue: 11, Pages: 5316 - 5322

Swansea University Author: Andreas Ipsen

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DOI (Published version): 10.1021/ac500108n

Abstract

An algorithm for efficiently calculating a molecule's the fine structure isotope pattern is presented. The algorithm is very easy to implement and is available in the "ecipex" package on the Comprehensive R Archive Network.

Published in: Analytical Chemistry
Published: 2014
URI: https://cronfa.swan.ac.uk/Record/cronfa22260
first_indexed 2015-07-03T02:10:22Z
last_indexed 2018-02-09T05:00:33Z
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spelling 2015-07-02T22:45:07.1888621 v2 22260 2015-07-02 Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform 5bc63515666926dd39a5ccf64f6ba865 Andreas Ipsen Andreas Ipsen true false 2015-07-02 An algorithm for efficiently calculating a molecule's the fine structure isotope pattern is presented. The algorithm is very easy to implement and is available in the "ecipex" package on the Comprehensive R Archive Network. Journal Article Analytical Chemistry 86 11 5316 5322 fine-structure isotope pattern, multidimensional fourier transform 19 5 2014 2014-05-19 10.1021/ac500108n COLLEGE NANME COLLEGE CODE Swansea University 2015-07-02T22:45:07.1888621 2015-07-02T22:44:55.0520621 Faculty of Medicine, Health and Life Sciences Swansea University Medical School - Medicine Andreas Ipsen 1
title Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
spellingShingle Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
Andreas Ipsen
title_short Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
title_full Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
title_fullStr Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
title_full_unstemmed Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
title_sort Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform
author_id_str_mv 5bc63515666926dd39a5ccf64f6ba865
author_id_fullname_str_mv 5bc63515666926dd39a5ccf64f6ba865_***_Andreas Ipsen
author Andreas Ipsen
author2 Andreas Ipsen
format Journal article
container_title Analytical Chemistry
container_volume 86
container_issue 11
container_start_page 5316
publishDate 2014
institution Swansea University
doi_str_mv 10.1021/ac500108n
college_str Faculty of Medicine, Health and Life Sciences
hierarchytype
hierarchy_top_id facultyofmedicinehealthandlifesciences
hierarchy_top_title Faculty of Medicine, Health and Life Sciences
hierarchy_parent_id facultyofmedicinehealthandlifesciences
hierarchy_parent_title Faculty of Medicine, Health and Life Sciences
department_str Swansea University Medical School - Medicine{{{_:::_}}}Faculty of Medicine, Health and Life Sciences{{{_:::_}}}Swansea University Medical School - Medicine
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description An algorithm for efficiently calculating a molecule's the fine structure isotope pattern is presented. The algorithm is very easy to implement and is available in the "ecipex" package on the Comprehensive R Archive Network.
published_date 2014-05-19T18:40:08Z
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score 11.106734

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