This is part of xPDFsuite package.
diffpy.srxplanar package provides 2D diffraction image integration using non splitting pixel algorithm. And it can estimate and propagate statistic uncertainty of raw counts and integrated intensity.
To learn more about diffpy.srxplanar library, see the examples directory included in this distribution or the API documentation at
http://diffpy.github.io/diffpy.srxplanar/
For more information about the diffpy.srxplanar library, please consult our online documentation.
If you use this program to do productive scientific research that leads to publication, we kindly ask that you acknowledge use of the program by citing the following paper in your publication:
Xiaohao Yang, Pavol Juhas, Simon J. L. Billinge, On the estimation of statistical uncertainties on powder diffraction and small angle scattering data from 2-D x-ray detectors, arXiv:1309.3614
The preferred method is to use Miniconda Python and install from the "conda-forge" channel of Conda packages.
To add "conda-forge" to the conda channels, run the following in a terminal.
conda config --add channels conda-forge
We want to install our packages in a suitable conda environment.
The following creates and activates a new environment named diffpy.srxplanar_env
conda create -n diffpy.srxplanar_env diffpy.srxplanar conda activate diffpy.srxplanar_env
To confirm that the installation was successful, type
python -c "import diffpy.srxplanar; print(diffpy.srxplanar.__version__)"
The output should print the latest version displayed on the badges above.
If the above does not work, you can use pip to download and install the latest release from
Python Package Index.
To install using pip into your diffpy.srxplanar_env environment, type
pip install diffpy.srxplanar
If you prefer to install from sources, after installing the dependencies, obtain the source archive from
GitHub. Once installed, cd into your diffpy.srxplanar directory
and run the following
pip install .
This package also provides command-line utilities. To check the software has been installed correctly, type
srxplanar --version
You can also type the following command to verify the installation.
python -c "import diffpy.srxplanar; print(diffpy.srxplanar.__version__)"
To view the basic usage and available commands, type
srxplanar -h
You may consult our online documentation for tutorials and API references.
If you see a bug or want to request a feature, please report it as an issue and/or submit a fix as a PR.
Feel free to fork the project. To install diffpy.srxplanar in a development mode, with its sources being directly used by Python rather than copied to a package directory, use the following in the root directory
pip install -e .
To ensure code quality and to prevent accidental commits into the default branch, please set up the use of our pre-commit hooks.
- Install pre-commit in your working environment by running
conda install pre-commit. - Initialize pre-commit (one time only)
pre-commit install.
Thereafter your code will be linted by black and isort and checked against flake8 before you can commit. If it fails by black or isort, just rerun and it should pass (black and isort will modify the files so should pass after they are modified). If the flake8 test fails please see the error messages and fix them manually before trying to commit again.
Improvements and fixes are always appreciated.
Before contributing, please read our Code of Conduct.
For more information on diffpy.srxplanar please visit the project web-page or email Simon Billinge at sb2896@columbia.edu.
diffpy.srxplanar is built and maintained with scikit-package.
