Python tools for analysis of angle-resolved photoemission and related spectroscopic data
Project description
peaks
peaks
: Python Electron Spectroscopy Analysis by King Group St Andrews.
peaks
provides a collection of analysis tools for the loading, processing and visualisation of spectroscopic data, with a core focus on tools for angle-resolved photoemission.
peaks
is an evolution of the PyPhoto
package originally developed by Phil King, Brendan Edwards, Tommaso Antonelli, Edgar Abarca Morales, Lewis Hart, and Liam Trzaska from the King group at the University of St Andrews. This version of peaks
is the result of a major restructuring of the package in 2023-2025 by Brendan Edwards, Phil King, and Shu Mo.
Contact pdk6@st-andrews.ac.uk.
Citation
If you use peaks
in your work, please cite:
peaks
: a Python package for analysis of angle-resolved photoemission and related spectroscopies
Phil D. C. King, Brendan Edwards, Shu Mo, Tommaso Antonelli,
Edgar Abarca Morales, Lewis Hart, and Liam Trzaska
arXiv:2508.04803 (2025)
Installation
peaks
is registed on PyPI under the name peaks-arpes
.
It is recommended to install peaks
in its own isolated environment. E.g. using conda:
conda create -n peaks python=3.12
conda activate peaks
pip install peaks-arpes
peaks
will then be installed together with its core dependencies.
Optional dependencies
To install optional dependencies, append \[dep1, dep2, ...\]
to the end of the pip install ...
command, where dep
is the name of the dependency. The following options can currently be specified:
- structure - required for the use of the
bz
module, for e.g. plotting Brillouin zones on the data; - ML - required for the use of the machine learning module;
- dev - optional development dependencies, used for e.g. linting the code and installing pre-commit hooks.
- docs - optional dependencies for building local copies of the documentation.
Installing from source
The latest version of peaks
can be installed directly from source:
pip install git+https://github.com/phrgab/peaks.git
To install a specific tagged version, append @<tag>
to the end of the git link where <tag>
is the tag name.
Basic Usage
peaks
is typically run in a Jupyter notebook or equivalent. To import peaks run:
import peaks as pks
See the User Guide for more information on the package and its use.
Documentation
The peaks documentation can be found at research.st-andrews.ac.uk/kinggroup/peaks.
Contributing
Contributions to the package are welcome. Please see the contributing guide in the documentation for more information.
License
Copyright 2019-2025, peaks developers
Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at
https://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
peaks also makes extensive use of many other packages - see dependencies in pyproject.toml and their relevant licenses in the source control of those packages.
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