Metadata-Version: 2.1
Name: Calkulate
Version: 23.6.2
Summary: Calkulate: seawater total alkalinity from titration data
Classifier: Development Status :: 5 - Production/Stable
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Classifier: Natural Language :: English
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Oceanography
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: PyCO2SYS
Requires-Dist: matplotlib
Requires-Dist: numpy
Requires-Dist: openpyxl
Requires-Dist: pandas
Requires-Dist: scipy

# Calkulate

![Tests](https://github.com/mvdh7/calkulate/workflows/Tests/badge.svg)
[![PyPI version](https://img.shields.io/pypi/v/calkulate.svg?style=popout)](https://pypi.org/project/calkulate/)
[![Conda Version](https://img.shields.io/conda/vn/conda-forge/calkulate.svg)](https://anaconda.org/conda-forge/calkulate)
[![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.2634304-informational)](https://doi.org/10.5281/zenodo.2634304)
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[![Coverage](https://github.com/mvdh7/calkulate/blob/main/.misc/coverage.svg)](https://github.com/mvdh7/calkulate/blob/main/.misc/coverage.txt)
[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)
[![Code style: black](https://img.shields.io/badge/code%20style-black-000000.svg)](https://github.com/psf/black)

Calkulate is a Python package for finding total alkalinity from titration data using [PyCO2SYS](https://PyCO2SYS.rtfd.io).

## Installation

    pip install calkulate

## Use

If the data for each individual titration is in its own text file and you have a spreadsheet containing the metadata for each titration on separate rows — all formatted as expected — then all you need to do with Calkulate is:

```python
import calkulate as calk
data = calk.read_csv("path/to/metadata_file.csv").calkulate()
data.alkalinity  # <== here are your alkalinity results
```

For more detail, see [the online documentation](https://mvdh.xyz/calkulate/).

## About

Calkulate is being developed primarily by [Dr Matthew P. Humphreys](https://www.nioz.nl/en/about/organisation/staff/matthew-humphreys) at the Royal Netherlands Institute for Sea Research ([NIOZ, Texel](https://www.nioz.nl/en)).

## Citation

If you use Calkulate in your work, please cite it as:

> Humphreys, M. P. and Matthews, R. S. (2024).  Calkulate: total alkalinity from titration data in Python.  *Zenodo.*  [doi:10.5281/zenodo.2634304](https://doi.org/10.5281/zenodo.2634304).

Please report which version you are using.  To find this out:

```python
import calkulate as calk
calk.hello()
```

## License

Calkulate is licensed under the [GNU General Public License version 3 (GPLv3)](https://www.gnu.org/licenses/gpl-3.0.en.html).
