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.