{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "## Part 4: Linear combination fitting\n", "\n", "*by Morgane Desmau & Marco Alsina*\n", "\n", "*Last update: June 2021*\n", "\n", "The following notebook explains the following:\n", "\n", "1. Perform linear combination fitting (LCF) on XANES spectra.\n", "2. Perform LCF on EXAFS spectra.\n", "\n", "**Important:** This tutorial assumes you have succesfully completed the previous tutorials in the series:\n", "\n", "- [Part 1: Basics of data processing](01.basics_data_processing.ipynb)\n", "- [Part 2: Normalization and background removal](02.background_removal.ipynb)\n", "- [Part 3: Creating custom report and figures](03.custom_report_figure.ipynb)\n" ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "Python version : 3.9.4\n", "Numpy version : 1.20.3\n", "Scipy version : 1.6.3\n", "Lmfit version : 1.0.2\n", "H5py version : 3.2.1\n", "Matplotlib version : 3.4.2\n", "Araucaria version : 0.1.10\n" ] } ], "source": [ "# checking version of araucaria and dependencies\n", "from araucaria.utils import get_version\n", "print(get_version(dependencies=True))" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### 1. Accesing the database\n", "\n", "In this case we will be reading and processing a minerals database measured at the Fe K-edge in the P65 beamline of DESY, Hamburg (data kindly provided by Morgane Desmau):\n", "\n", "1. Fe_database.h5\n", "\n", "We first retrieve the filepath to the database and summarize its contents." ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "