xasref

This repository contains a collection of XAS reference data recorded mainly in X18B beamline at NSLS and QAS beamline at NSLS-II. Please feel free give a pull request to add any reference data.

The data other than the foil will also be added in the future.

Installation

pip install git+https://github.com/Ameyanagi/xasref

How to use

The reference can be readily read by get_ref_dict. The following is an example to read Fe K reference data and plot it.

import matplotlib.pyplot as plt
from xasref import get_ref_dict


ref = get_ref_dict()
fe_k_group = ref["Fe K"]["group"]
plt.plot(fe_k_group.energy, fe_k_group.mu)
plt.show()

The dictionary that is returned by get_ref_dict contains the following keys. You would probably need only group.

• element: The element name
• group: The reference data as a Larch group
• edge: The edge name
• e0: The e0 value
• path: The path to the reference data (source athena file)
• label: The label of the reference data (e.g. Fe foil Fe K)
• dat_path: The path to the reference data in a dat file

How to generate the reference from the source and check the reference data

The reference data is generated from the source file that is saved as a athena project file. The files already converted to a dat file that have energy, mu, and first derivative columns. Howevery, if you prefer to do this process by yourself, the following is the instruction.

The g or --generate option will generate the reference data from the source file and save it as a dat file.

xasref -g

The c or --check option is use to check the quality of the reference dat file generated. The following is the example to check the reference data. It will plot the reference data along with the first derivative, e0 and expected e0. Please make sure that the data look reasonable to you.

xasref -c

-g and -c can be used together as follows.

xasref -g -c

List of elements

• V K 5465eV
• Cr K 5989eV
• Mn K 6539eV
• Fe K 7112eV
• Co K 7709eV
• Ni K 8333eV
• Cu K 8979eV
• Zn K 9659eV
• Mo K 20000eV
• Ru K 22117eV
• Rh K 23220eV
• Pd K 24350eV
• Ag K 25514eV
• Cd K 26711eV
• In K 27940eV
• Sn K 29200eV
• W K 10207eV
• Re L3 10535eV
• Pt L3 11564eV
• Au L3 11919eV
• Zr K 17998eV

• Free software: MIT license
• Documentation: https://xasref.readthedocs.io.