SWAXSanalysis 2025.4

Package allowing the analysis of SAXS and WAXS data (EDF format) that's fresh out of the machine. This package uses the NeXus standard for the x-ray community.

SWAXSanalysis

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This package is used to convert edf files that contain one header and one dataset into an HDF5 file that contains information selected by the user. This process can be automated if the launcher.py has been launched with the argument --jenkins "true"

How it works

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To convert the EDF file, the program uses a configuration file created by the user. To help create said file, a GUI is provided. This same GUI can be used to do basic processes to an HDF5 file that follows the NXcanSAS definition, as described by the NeXus Foundation : https://manual.nexusformat.org/classes/applications/NXcanSAS.html#nxcansas

Once the configuration file has been created it should be saved in the "configs" folder inside the Data Treatment Center. You need to move the config file inside the Data Treatment Center directly for it to be detected and used in the conversion of file. By default, the Data Treatment Center is created on your desktop.

Once the config file is moved, you can put the EDF files you want to convert to hdf5 in the Treatment Queue folder.

You can also use the package directly in a python script by importing the main class and some utility functions :

from SWAXSanalysis.class_nexus_file import NexusFile
from SWAXSanalysis.utils import save_data, extract_from_h5, delete_data

In any case, an example notebook along with a jupyter notebook launcher is present in the Data Treatment Center.

How to install

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You have to activate a python virtual environment (more info on how to activate a Venv here) and type the following command :

pip install SWAXSanalysis

After SWAXSanalysis is install you need to install this branch of smi_analysis via the following command

pip install git+https://github.com/gfreychet/smi-analysis.git@master

This wraps up the install the package in the activated virtual environment. If you want to use the GUI, it should be in the Scripts folder of your Virtual environment under the name SWAXSanalysis.exe

Changing the location of the Data Treatment Center

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By default, the Data Treatment Center and Treatment Queue folder will be created on your desktop. To change the location of the Data Treatment Center, go to :

path\to\your\venv\Lib\site-packages\saxs_nxformat

and open the __init__.py file. In this file, find the line (should be line N°28) :

ENV_PATH: Path = DESKTOP_PATH

And change it to

ENV_PATH: Path = Path(r"path\where\Data Treatment Center\should\be")

Known issues

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• Changing the ENV_PATH by changing the __init__.py script is impractical.
• While creating the configuration file, there is no way to choose the NeXus definition, meaning that you have to change the loaded definition in the python script directly.
• The program can't handle anything other than EDF file with one header and one dataset
• Azimuthal angle range is behaving weirdly when 0 is not in the range