β-NMR and β-NQR Data Analysis
Project description
bfit
bfit is a Python application aimed to aid in the analysis of β-detected nuclear magnetic/quadrupole resonance (β-NMR and β-NQR) data taken at TRIUMF. These techniques are similar to muon spin rotation (μSR) and "conventional" nuclear magnetic resonance (NMR), but use radioactive nuclei as their NMR probe in place of the muon or a stable isotope. The instruments and research program are governed through TRIUMF's CMMS, with more information given at https://bnmr.triumf.ca. An overview of instrumentation details and scientific applications of the β-NMR/β-NQR techniques can be found in several recent journal articles:
- W. A. MacFarlane. Implanted-ion βNMR: a new probe for nanoscience. Solid State Nucl. Magn. Reson. 68-69, 1-12 (2015).
- G. D. Morris. β-NMR. Hyperfine Interact. 225, 173-182 (2014).
The intended user of bfit is anyone performing experiments with or analyzing data taken from TRIUMF's β-NMR or β-NQR spectrometers - independent of whether they are a new student, visiting scientist, or someone with decades of experience. (e.g., someone from the "local" TRIUMF/CMMS/UBC group). A key goal of the project is to alleviate much of the technical tedium that is often encountered during any analysis. More generally, bfit has been written to fulfill the following needs:
- Provide the means for quick on-line analyses during beam time.
- Provide a useful and flexible API for refined analyses in Python, to be used in conjunction with bdata and the SciPy ecosystem.
- Provide an intuitive, user-friendly interface for non-programmers.
- Be easily maintainable and distributable.
Citing
If you use mudpy, bdata, or bfit in your work, please cite:
- D. Fujimoto. Digging into MUD with Python: mudpy, bdata, and bfit. arXiv:2004.10395 [physics.data-an].
Useful Links
Community Guidelines
- Contributing:
- Please submit your contribution to bfit through the list of Pull Requests!
- Reporting issues and/or seeking support:
Installation and Use
Dependencies
The following packages/applications are needed prior to bfit installation:
- Python 3.6 or higher: a dynamically typed programming language. [install]
- Tkinter : Python's de-factor standard GUI package. [install]
- Cython : C-language extensions for Python. [install]
- NumPy : array programming library for Python. [install]
and the following are handelled automatically when retrieving bfit from the PyPI:
- argparse : a parser for command-line options, arguments and sub-commands.
- bdata : data structures and algorithms for retrieving/processing TRIUMF β-NMR/β-NQR data.
- iminuit : a Jupyter-friendly Python interface for the MINUIT2 library.
- Matplotlib : comprehensive library for creating static, animated, and interactive visualizations in Python.
- pandas : a fast, powerful, flexible and easy to use data analysis/manipulation tool.
- PyYAML : a next generation YAML parser and emitter for Python.
- requests : an elegant and simple HTTP library for Python, built for human beings.
- SciPy : fundamental algorithms for scientific computing in Python.
- tqdm : a fast, extensible progress bar for Python.
Install Instructions
Command | |
---|---|
From the PyPI as user (recommended) | pip install --user bfit |
From the PyPI as root | pip install bfit |
From source | python3 setup.py install |
Note that pip
should point to a (version 3) Python executable
(e.g., python3
, python3.8
, etc.).
If the above does not work, try using pip3
or python3 -m pip
instead.
Optional Setup
For convenience,
you may want to tell bfit where the data is stored on your machine.
This is done by defining two environment variables:
BNMR_ARCHIVE
and BNQR_ARCHIVE
.
This can be done, for example, in your .bashrc
script.
Both variables expect the data to be stored in directories with a particular
heirarchy:
/path/
bnmr/
bnqr/
2017/
2018/
045123.msr
Here, the folders /path/bnmr/
and /path/bnqr/
both contain runs
(i.e., .msr
files) organized into subdirectories by year of aquasition.
In this case, you would set (in your .bashrc
):
export BNMR_ARCHIVE=/path/bnmr/
export BNQR_ARCHIVE=/path/bnqr/
If bfit cannot find the data, it will attempt to download the relavent MUD
(i.e., .msr
) files from https://cmms.triumf.ca/mud/runSel.html.
This is the default behaviour for bfit installed from PyPI.
First Startup
To launch the GUI from a terminal simply call bfit
, if this fails, one can also use the alternative syntax python3 -m bfit
, where python3
may be replaced with any (version 3) Python executable.
Testing
Testing your installation of bfit is accomplished by running pytest
within the installation folder. Note that some tests, particularly those involving drawing, fail when run as group in this environment, but they should pass on a second attempt: pytest --lf
. Further testing information can be found here.
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