This release is a pre-release and may not be stable for production use.
D47crunch
Python library for processing and standardizing carbonate clumped-isotope analyses, from low-level data out of a dual-inlet mass spectrometer to final, “absolute” Δ47, Δ48 and Δ49 values with fully propagated analytical error estimates.
This also provides a command-line interface making it possible to process a multi-session Δ47 (and potentially Δ48, Δ49) dataset by simply calling D47crunch rawdata.csv. See the CLI documentation for more options.
Warning The upcoming version 3 of D47crunch will break backwards-compatibility. This is motivated by the need to accomodate different standardization approaches (least squares "pooled" standardization vs Bayesian standardization allowing for reference materials having nominal Δ4x values with non-zero uncertainties).
Note The new Bayesian standardization approach introduced in the upcoming version 3 of D47crunch works well, to the first order, but has not been extensively tested yet. To test this upcoming version without affecting your existing Python setup, use
uvand start with the demo code available here.
mkdir testD47crunch # create new working directory
cd testD47crunch # enter the working directory
uv init # initialize a new uv project
uv add mylib==3.0.0a1 # install the new version of D47crunch
uv run bayes-demo.py # run the demo code
Documentation
For the full API and a short tutorial, see https://mdaeron.github.io/D47crunch.
Installation
This should do the trick:
pip install D47crunch
Alternatively:
- download the dev branch or the latest release and unzip it
- rename the resulting directory to
D47crunch - chose one of one of the following options:
- move the
D47crunchdirectory to somewhere in your Python path - move the
D47crunchdirectory to your desired working directory - move the
D47crunchdirectory to any other location (e.g.,/foo/bar) and include the following code snippet in your scripts:
- move the
import sys
sys.path.append('/foo/bar')
Having done any of the above you should now be able to import D47crunch, with the following requirements: Python 3, numpy, matplotlib, scipy, lmfit, and typer.
Contact
All questions and suggestions are welcome and should be directed at Mathieu Daëron.
1 maintainer
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