Dioptas
A GUI program for fast analysis of powder X-ray diffraction images. It provides the capability of calibrating, creating masks, having pattern overlays and showing phase lines.
Documentation
The full user manual is hosted on Read the Docs:
https://dioptas.readthedocs.io/
Maintainer
Clemens Prescher (clemens.prescher@gmail.com)
Requirements
- Python 3.11–3.15 (3.15 is currently a prerelease)
Dioptas runs on 64-bit Windows, macOS, and Linux. Python packages support Python 3.11–3.15. The standalone macOS application targets Apple silicon; Intel Mac users can install the Python package.
The offline material library and EoS calculations are supplied by Peritheos (0.18.x), with diffraction reflections calculated by PhaseSmith 0.7. Both dependencies are installed automatically with the Python package and included in standalone applications. Dioptas uses core Peritheos; its optional observation datasets are not required.
Installation
Executables
Executable versions for Windows, macOS, and Linux can be downloaded from:
https://github.com/Dioptas/Dioptas/releases
The executable versions are self-contained and do not need a Python installation.
Under Windows and Linux the program can be started by running the executable (e.g. Dioptas.exe or Dioptas).
On macOS, open the .dmg and drag Dioptas to Applications. A .tar.gz archive of the application is also available.
Signed and notarized releases use macOS's normal first-launch confirmation. Older releases and ordinary branch builds may show a warning that the app "cannot be verified". For those builds, remove the quarantine attribute in Terminal:
xattr -dr com.apple.quarantine /Applications/Dioptas_*.app
Maintainers: see the macOS signing setup guide for certificate creation, GitHub secrets, and a signed test build before releasing.
Python Package
Use a Python 3.11–3.15 environment and install the Dioptas package with pip. Python 3.15 currently requires source builds of several dependencies and a native build toolchain; Python 3.13 is the simpler installation choice.
python -m pip install dioptas
and then run Dioptas by typing:
dioptas
on the command line.
Dioptas is also available from conda-forge. Its available version can lag behind GitHub and PyPI; check the resolved version before relying on new features:
conda config --add channels conda-forge
conda install dioptas
Running the Program from source
In order to run the program from source, the easiest way is to use the uv package manager. Clone the repository from github and navigate to the repository:
git clone https://github.com/Dioptas/Dioptas.git
cd Dioptas
Note: This will clone the develop branch by default, which contains the latest development version.
If you want to use the latest stable release instead, switch to the main branch after cloning:
git checkout main
Install uv and the dependencies by running:
python -m pip install uv
uv sync
This will create a new environment with all the required python packages in .venv.
To include the optional Dioptrin 0.7.0 integration backend, use
uv sync --extra dioptrin and start with uv run --extra dioptrin dioptas.
Dioptrin 0.7.0 is MIT licensed and
requires no activation or license key. pyFAI remains the default backend.
Afterward the program can be started by running:
uv run dioptas
In order to run the program without uv, you need to install the required packages yourself.
The packages are listed in the file pyproject.toml. The program can then be started by running:
python run.py
Scripting API
Dioptas can also be used as a Python library for headless integration from scripts and Jupyter notebooks.
Set up your experiment in the GUI, save a .dio project file, then use it in code:
from dioptas.pipeline import Pipeline
# Load full setup (calibration, mask, corrections, etc.) from a project file
p = Pipeline.from_project("experiment.dio")
# Override the mask if needed
p.load_mask("new_beamstop.mask")
# Integrate a single image
pattern = p.integrate("sample_001.tiff")
pattern.save("sample_001.xy")
# Batch integrate with a glob pattern
patterns = p.integrate_batch("data/sample_*.tif")
See the scripting API documentation for the full reference.
1 maintainer
Metadata
1 maintainer
Release files for dioptas 0.12.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
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|---|---|---|---|---|
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Built distributions (wheels)
Total release size: 64.8 MB
Release files / dioptas-0.12.1.tar.gz
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