Iterative Bragg Peak Removal with Automatic Intensity Correction (IBR-AIC) for X-ray Absorption Spectroscopy

This package amims to provide a method of removing Bragg peaks from X-ray absorption spectra. This method can be applied for both transmission and fluorescence mode of XAS, with the aid of varing a angle of sample.

Free software: MIT license
Documentation: https://ameyanagi.github.io/IBR-AIC/index.html.

Requirements

IBR-AIC relies on numpy and scipy package as dependencies. Please install numpy and scipy.The requirements can be optionally installed through requirements.txt by following command.

Group from xraylarch package can also be used for the input of the calculation, if so, please install xraylarch through pip.

pip install -r requirements.txt

Installation

Installation currently done through following command.

pip install git+https://github.com/Ameyanagi/IBR-AIC

Installation from PyPI

(This method is not available yet. It will be available after the submission.)

pip install ibr-aic

Usage

Python API

Detailed instructions for usage are available in the API documentation. The decomanano package can be imported and used in python scripts.

Limitation

This method has a limitation when there is a significant change in the trend in the post-edge region, where the assumption that following assumption is not valid anymore. The effect of large angle rotation of the sample is expressed in the following equation, as long as the sample is uniform.

\[ \begin{align}\begin{aligned}\mu(E) &\propto I_F/I_0\\\mu(E) &\propto -\ln(I_T/I_0)\end{aligned}\end{align} \]

Citation

If you use IBR-AIC in your research, please cite the following paper: to be submitted.