Journal article 474 views
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 |
| 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. |
|---|---|
| Keywords: |
fine-structure isotope pattern, multidimensional fourier transform |
| College: |
Faculty of Medicine, Health and Life Sciences |
| Issue: |
11 |
| Start Page: |
5316 |
| End Page: |
5322 |