CXSFIT 光谱拟合代码:过去、现在和未来

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
E Delabie, M G O'Mullane, M von Hellermann, A Whiteford, L D Horton, K D Zastrow, S Menmuir, E Litherland-Smith, A Meigs, T M Biewer
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引用次数: 0

摘要

磁约束等离子体实验会产生大量光谱数据。提取物理参数的第一步是为通常复杂的光谱拟合光谱模型。CXSFIT (电荷交换光谱拟合)光谱拟合代码最初是为拟合 JET 上的电荷交换光谱而开发的,从 20 世纪 80 年代末开始,经过几十年的进一步发展,已经跟上了用户的需求。其主要用途是高效拟合大量具有许多约束高斯谱线的光谱,并以用户友好的方式耦合其中的物理参数。该代码最近新增的功能包括参数间随时间变化的耦合、灵活的背景减除以及拟合参数间的非线性耦合方案。后者是在光谱特征库中实现泽曼效应和运动斯塔克效应多重子的先决条件。即使在需要多次迭代的情况下,保存和重放 "拟合配方 "的能力也确保了结果的可追溯性,这也是代码能够长期使用并取得成功的关键之一。该代码还用于其他托卡马克(AUG、ST-40)和 JET 上其他光谱诊断的数据拟合。在本文中,我们记录了该代码目前的功能和结构背后的理念,包括一些用于高效数值计算光谱特征的算法。我们还概述了如何将 CXSFIT 移植到能够满足未来装置(如热核实验堆)光谱拟合要求的框架中。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The CXSFIT spectral fitting code: Past, present and future.

Magnetically confined plasma experiments generate a wealth of spectroscopic data. The first step toward extracting physical parameters is to fit a spectral model to the often complex spectra. The CXSFIT (Charge eXchange Spectroscopy FITting) spectral fitting code was originally developed for fitting charge exchange spectra on JET from the late 1980s onward and has been further developed over decades to keep up with the needs of the users. The primary use is to efficiently fit a large number of spectra with many constrained Gaussian spectral lines of which the physical parameters can be coupled in a user-friendly manner. More recent additions to the code include time-dependent couplings between parameters, flexible background subtraction, and a non-linear coupling scheme between fit parameters. The latter was a pre-requisite for implementing Zeeman and motional Stark effect multiplets in the library of spectral features. The ability to save and replay "fit recipes," even when multiple iterations are required, has ensured the traceability of the results and is one of the keys to the longevity and success of the code. The code is also in use on other tokamaks (AUG, ST-40) and to fit data from other spectroscopic diagnostics on JET. In this paper, we document the current capabilities and philosophy behind the structure of the code, including some of the algorithms used to calculate spectral features numerically efficiently. We also provide an outline of how CXSFIT could be transferred into a framework that would be able to meet the spectral fitting requirements of future devices, such as ITER.

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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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