Introduction
xrdfit is a Python package for fitting the diffraction peaks in synchrotron X-ray diffraction (SXRD) and XRD spectra. It is designed to be an easy to use tool for quick analysis of spectra. Features are included for automating fitting over many spectra to enable tracking of peaks as they shift throughout an experiment. xrdfit uses the Python module lmfit for the underlying fitting. xrdfit is designed to be accessible for all researchers who need to process SXRD spectra and so does not require a detailed knowledge of programming or fitting.
Installation
To install as a Python module, type
python -m pip install xrdfit
from the root directory. For developers, you should install in linked .egg mode using
python -m pip install -e .
If you are using a Python virtual environment, you should activate this first before using the above commands.
Documentation
Documentation including an API reference is provided at: https://xrdfit.readthedocs.io/en/latest/
The majority of the documentation is provided as example driven interactive Jupyter notebooks. These are included along with the source code in the "tutorial notebooks" folder. If this package was downloaded from pip, the source can be found on GitHub: https://github.com/LightForm-group/xrdfit
Try it out
You can try out xrdfit directly in your browser with Binder by clicking here.
Note that Tutorial Notebook 4 will not run correctly in Binder as it requires the download of a supplementary dataset which is not included in the source repository due to its size.
Compatibility
The latest version of xrdfit was tested with Python version 3.10. The minimum required Python version is 3.7.
Required libraries
This module uses the Python libraries:
The following libraries are required to use the tutorial documentation workbooks:
1 maintainer
Metadata
1 maintainer
Release files for xrdfit 1.3.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| xrdfit-1.3.0.tar.gz | 30.0 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| xrdfit-1.3.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 60.0 kB
Release files / xrdfit-1.3.0.tar.gz
| Download URL | xrdfit-1.3.0.tar.gz |
|---|---|
| Size | 30.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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No |
| Uploaded via |
twine/4.0.2 CPython/3.10.2
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Release files / xrdfit-1.3.0-py3-none-any.whl
| Download URL | xrdfit-1.3.0-py3-none-any.whl |
|---|---|
| Size | 30.1 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.10.2
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Security for xrdfit 1.3.0
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