A Python based XAS analysis workflow that also correlates process data streams to the XAS spectra.

1. Download and install the anaconda python distribution:

   https://www.anaconda.com/products/distribution 
   

This is a modified set of installation notes from the xraylarch source (https://xraypy.github.io/xraylarch/) [updated 1/23/2024]:

1. Activate your conda environment (called base by default) and update it:

   conda activate
   conda update -y conda python pip
   

2. Create a dedicated python 3.10.13 environment (name = catXAS) to install Larch into and activate it:

   conda create -y --name catXAS python=3.10.13
   conda activate catXAS
   

3. Install the main dependencies:

   conda install -y numpy scipy matplotlib scikit-learn pandas<2.0.0
   pip install glob2 ipywidgets wxpython pymatgen
   pip install h5py==3.9.0
   conda install -y -c conda-forge openbabel tomopy
   pip install epicsapps
   conda install conda-forge::pycifrw      
   

4. install Larch (latest release):

   pip install xraylarch
   

1. open Anaconda

2. In the “Home” tab use dropdown tab next to “Application on” to select “catXAS” There will be a slight pause while the software switches to the new environment

3. Scroll down in the main window and select “Install” for the Jupyter Notebook application There will be a slight pause while the software installs Jupyter Notebook

4. Other dependencies may be missing in the environment that may need to be added through pip or conda.