Optical constants, cross-sections, and supporting Python scripts for Fe L shell XAFS compounds in Corrales et al (2024), accepted to AAS Journals

This Zenodo repository contains the data products and calculations of Corrales et al. (2024), https://arxiv.org/abs/2402.06726 (accepted to AAS Journals) A WORD OF CAUTION The cross-sections presented here have not been shifted in absolute energy scale. One of the key results from Corrales et al. (2024) is that the energy scale calibration for these compounds needs to be revisited. Please proceed with caution when using this information. Optical Constants kkcalc_products/ - This folder contains optical constants for the various compounds kkcalc_products/*_input.dat files contain the absorption as measured in Lee et al. (2009) https://ui.adsabs.harvard.edu/abs/2009ApJ...702..970L/abstract). These values are supplied as input to kkcalc (https://ui.adsabs.harvard.edu/abs/2014OExpr..2223628W/abstract, available at https://github.com/benajamin/kkcalc), along with the stoichiometric formula and material density for the compound of interest. kkcalc_products/*_refrac.dat files contain the kkcalc output, i.e., the real and imaginary parts of the complex index of refraction (m). The "Delta" column equals Re(1-m) and the "Beta" column equals Im(m). Python Scripts extinction_xsects.py - Calculates the extinction cross-section for an MRN distribution of dust These Python files from github.com/eblur/gastronomy are used by extinction_xsects.py in order to properly scale the mass column density to Fe abundance: abundances.py molecules.py minerals.py Extinction Cross-sections extinction_xsects/ - This folder contains the results of extinction_xsects.py extinction_xsects/*_FeL.pdf - A plot of the high resolution Fe L shell features extinction_xsects/*_broad.pdf - A plot of the broad band (0.3 - 10 keV), lower resolution cross-sections with 50 eV spacing. These cross-sections include extrapolations for the K and L shell features for other elements in the compounds based on Henke tables (see Watts et al. 2014) extinction_xsects/*_final.pdf - A plot of the consolidated (low resolution broad band and high resolution Fe L shell) extinction cross-sections extinction_xsects/*_xsect.fits - The final cross-section information for each compound, stored as fits file table. The table columns are energy, absorption optical depth, scattering optical depth, and extinction optical depth. All optical depths are scaled to have a total dust mass column of 1e-4 g cm^-2.本Zenodo（Zenodo）学术仓储包含Corrales等人（2024年）的研究数据产品与计算结果，对应预印本链接为https://arxiv.org/abs/2402.06726（该论文已被美国天文学会（American Astronomical Society, AAS）期刊收录）。 重要提示：本文呈现的截面数据未经过绝对能量刻度校准。Corrales等人（2024年）的核心研究结论之一指出，需重新审视这类化合物的能量刻度校准方案。使用本数据集时请谨慎操作。 ### 光学常数 `kkcalc_products/` 文件夹：存放各类化合物的光学常数数据。 `kkcalc_products/*_input.dat` 文件：包含Lee等人（2009年）研究中测得的吸光度数据（论文链接：https://ui.adsabs.harvard.edu/abs/2009ApJ...702..970L/abstract）。将上述数值与目标化合物的化学计量式、材料密度一同作为输入参数，供kkcalc（kkcalc）工具使用（相关研究论文：https://ui.adsabs.harvard.edu/abs/2014OExpr..2223628W/abstract，工具开源地址：https://github.com/benajamin/kkcalc）。 `kkcalc_products/*_refrac.dat` 文件：包含kkcalc工具的输出结果，即复折射率（complex index of refraction）$oldsymbol{m}$的实部与虚部。其中“Delta”列对应$ ext{Re}(1-m)$，“Beta”列对应$ ext{Im}(m)$。 ### Python脚本 `extinction_xsects.py`：用于计算马蒂斯-伦普尔-诺德西克（Mathis-Rumpl-Nordsieck, MRN）尘埃半径分布的消光截面。 `extinction_xsects.py` 会调用从github.com/eblur/gastronomy获取的以下Python文件，以正确将质量柱密度缩放至铁元素丰度： - `abundances.py` - `molecules.py` - `minerals.py` ### 消光截面 `extinction_xsects/` 文件夹：存放`extinction_xsects.py`的计算结果。 `extinction_xsects/*_FeL.pdf`：高分辨率铁L壳层特征谱线图。 `extinction_xsects/*_broad.pdf`：宽波段（0.3~10 keV）低分辨率消光截面图，截面间隔为50 eV。该数据集包含基于Henke表格对化合物中其他元素的K、L壳层特征进行的外推结果（参考Watts等人2014年研究）。 `extinction_xsects/*_final.pdf`：整合了低分辨率宽波段与高分辨率铁L壳层特征的消光截面综合图。 `extinction_xsects/*_xsect.fits`：各化合物的最终截面数据，以FITS（FITS）格式表格存储。表格列依次为能量、吸收光学深度、散射光学深度与消光光学深度。所有光学深度均经过缩放，以对应总尘埃质量柱密度为$1 imes10^{-4} ext{g cm}^{-2}$的场景。