| Name | pyexafs JSON |
| Version |
1.0.0b9
JSON |
| download |
| home_page | None |
| Summary | A simple package for fast analysis of EXAFS data |
| upload_time | 2024-06-28 18:07:07 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | None |
| license | MIT License Copyright (c) [2022-2024] [FRANK FÖRSTE, SEBASTIAN PARIPSA] Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. |
| keywords |
research-and-development
exafs
data-science
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# PyEXAFS
[](https://github.com/San-WierPa/pyexafs/actions?query=workflow%3ATest)
[](https://github.com/psf/black)
[](https://github.com/PyCQA/isort)
Developed by Frank Foerste and Sebastian Paripsa, **PyExafs** aims to streamline the workflow<br>
for XAS researchers, from data acquisition to final analysis.
## Introduction
**PyExafs** is designed to facilitate the automated quality assessment<br>
of X-ray Absorption Fine Structure (XAFS) measurements. Leveraging the robust capabilities of the Larch library,<br>
**PyExafs** enables researchers to efficiently process, analyse, and visualise XAFS data, ensuring adherence to stringent quality criteria.
With a single execution, **PyExafs** provides a fast analysis of a dataset, instantly delivering:
+ Absorbance
+ Normalized Absorbance
+ $\chi(k)$
+ $\chi(R)$
These results are presented according to well-defined quality standards, enabling users to quickly evaluate<br>
the integrity of their data.
Key features include:
+ Automated Quality Control: Implements rigorous routines to verify the quality of XAFS measurements.
+ Data Preprocessing: Efficiently handles data loading, preprocessing, and energy calibration.
+ Visualisation: Generates comprehensive plots for raw, normalized, k-space, and R-space data,<br>
supporting both detailed analysis and publication-quality figures.
+ Noise Estimation and Fitting: Provides tools for estimating noise and fitting the first shell,<br>
crucial for accurate data interpretation.
## Installation
Easy:
```sh
python -m pip install pyexafs
```
## Usage
To use the `pyexafs` package, run the following command and provide the path to your data file:
```sh
python -m pyexafs <path_to_data_file>
```
For example:
```sh
python -m pyexafs /path/to/your/datafile.txt
```
Raw data
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"description": "# PyEXAFS\n\n[](https://github.com/San-WierPa/pyexafs/actions?query=workflow%3ATest)\n[](https://github.com/psf/black)\n[](https://github.com/PyCQA/isort)\n\nDeveloped by Frank Foerste and Sebastian Paripsa, **PyExafs** aims to streamline the workflow<br>\nfor XAS researchers, from data acquisition to final analysis.\n\n## Introduction\n\n**PyExafs** is designed to facilitate the automated quality assessment<br>\nof X-ray Absorption Fine Structure (XAFS) measurements. Leveraging the robust capabilities of the Larch library,<br>\n**PyExafs** enables researchers to efficiently process, analyse, and visualise XAFS data, ensuring adherence to stringent quality criteria.\n\nWith a single execution, **PyExafs** provides a fast analysis of a dataset, instantly delivering:\n\n+ Absorbance\n+ Normalized Absorbance\n+ $\\chi(k)$\n+ $\\chi(R)$\n\nThese results are presented according to well-defined quality standards, enabling users to quickly evaluate<br>\nthe integrity of their data.\n\nKey features include:\n\n+ Automated Quality Control: Implements rigorous routines to verify the quality of XAFS measurements.\n+ Data Preprocessing: Efficiently handles data loading, preprocessing, and energy calibration.\n+ Visualisation: Generates comprehensive plots for raw, normalized, k-space, and R-space data,<br>\nsupporting both detailed analysis and publication-quality figures.\n+ Noise Estimation and Fitting: Provides tools for estimating noise and fitting the first shell,<br>\ncrucial for accurate data interpretation.\n\n## Installation\n\nEasy:\n\n```sh\npython -m pip install pyexafs\n```\n\n## Usage\n\nTo use the `pyexafs` package, run the following command and provide the path to your data file:\n\n```sh\npython -m pyexafs <path_to_data_file>\n```\n\nFor example:\n\n```sh\npython -m pyexafs /path/to/your/datafile.txt\n```\n",
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