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OCEAN——一种使用新型近似法进行O校正的Excel插件。

OCEAN-An EXCEL add-in for O correction using a novel approximation.

作者信息

Flierl Lukas, Rienitz Olaf

机构信息

Physikalisch-Technische Bundesanstalt, Bundesallee 100, Braunschweig 38114, Germany.

出版信息

MethodsX. 2023 Dec 20;12:102529. doi: 10.1016/j.mex.2023.102529. eCollection 2024 Jun.

DOI:10.1016/j.mex.2023.102529
PMID:39669974
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11636922/
Abstract

In this publication, an alternative mathematical approach for correction is presented. It is shown comprehensively how the newly developed formulas are derived and what the differences are to the established algorithm recommended by Brand et al. Additionally, two simulations are presented, which demonstrate the performance (in terms of accuracy and precision) of the approach. Part of this work is an EXCEL Add-In, which allows users to perform correction, normalization and uncertainty propagation on their own. This enables the users - who are limited to measure only the masses 44 to 46 - to fully control their data evaluation.•Improved accuracy over a wider range.•Easy use and implementation of the scheme.•Convenient uncertainty calculation in accordance with international standards.

摘要

在本出版物中,提出了一种用于校正的替代数学方法。全面展示了新开发的公式是如何推导出来的,以及与布兰德等人推荐的既定算法有何不同。此外,还给出了两个模拟,展示了该方法的性能(在准确性和精确性方面)。这项工作的一部分是一个EXCEL插件,它允许用户自行进行校正、归一化和不确定度传播。这使得那些只能测量质量数44至46的用户能够完全控制他们的数据评估。

•在更宽范围内提高了准确性。

•该方案易于使用和实施。

•根据国际标准方便地计算不确定度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/9fe660c26819/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/e3a0cc167ef8/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/4df2f89e22bb/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/03eb70a8b6b3/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/9fe660c26819/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/e3a0cc167ef8/ga1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/4df2f89e22bb/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/03eb70a8b6b3/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396c/11636922/9fe660c26819/gr3.jpg

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本文引用的文献

1
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2
InterCarb: A Community Effort to Improve Interlaboratory Standardization of the Carbonate Clumped Isotope Thermometer Using Carbonate Standards.InterCarb:一项通过碳酸盐标准提高碳酸盐团簇同位素温度计实验室间标准化的社区努力。
Geochem Geophys Geosyst. 2021 May;22(5):e2020GC009588. doi: 10.1029/2020GC009588. Epub 2021 May 24.
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Normalization of measured stable isotopic compositions to isotope reference scales--a review.
将测量的稳定同位素组成归一化到同位素参考标度——综述
Rapid Commun Mass Spectrom. 2007;21(18):3006-14. doi: 10.1002/rcm.3185.
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High precision measurements of 17O/16O and 18O/16O ratios in H2O.对水中17O/16O和18O/16O比率的高精度测量。
Rapid Commun Mass Spectrom. 2005;19(24):3737-42. doi: 10.1002/rcm.2250.
5
Reporting small Delta 17O values: existing definitions and concepts.报告小的δ¹⁷O值:现有定义和概念。
Rapid Commun Mass Spectrom. 2005;19(5):627-36. doi: 10.1002/rcm.1833.
6
On the 17O correction for CO2 mass spectrometric isotopic analysis.关于二氧化碳质谱同位素分析的氧-17校正
Rapid Commun Mass Spectrom. 2003;17(10):1007-16. doi: 10.1002/rcm.1012.
7
web-based interactive data processing: application to stable isotope metrology.基于网络的交互式数据处理:在稳定同位素计量学中的应用
Fresenius J Anal Chem. 2001 Aug;370(7):803-10. doi: 10.1007/s002160100870.
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Isotopic analyses based on the mass spectrum of carbon dioxide.基于二氧化碳质谱的同位素分析。
Anal Chem. 1985 Jun;57(7):1444-8. doi: 10.1021/ac00284a060.
9
Referencing strategies and techniques in stable isotope ratio analysis.稳定同位素比率分析中的参考策略与技术。
Rapid Commun Mass Spectrom. 2001;15(7):501-19. doi: 10.1002/rcm.258.