semvec/pypi-packages huggingface dataset:
D4Xgui 1.0.2
Processing app for mass-spectrometric CO₂ clumped isotope (∆₄₇, ∆₄₈, ∆₄₉) data
License: MIT
Requires Python: >=3.12
Keywords: mass-spectrometry, isotope, clumped-isotope, paleoclimate, geochemistry

## Welcome to D4Xgui v1.0.2!

[D4Xgui](https://github.com/itsMig/D4Xgui) is developed to enable easy access to state-of-the-art CO₂ clumped isotope (∆₄₇, ∆₄₈ and ∆₄₉) data processing.
A recently developed optimizer algorithm allows pre-processing of mass spectrometric raw intensities utilizing a m/z47.5 half-mass Faraday cup correction to account for the effect of a negative pressure baseline, which is essential for accurate and highest precision clumped isotope analysis of CO₂ ([Bernecker et al., 2023](https://doi.org/10.1016/j.chemgeo.2023.121803)).
It is backed with the recently published processing tool [D47crunch (v.2.4.3)](https://github.com/mdaeron/D47crunch) (following the methodology outlined in [Daeron, 2021](https://doi.org/10.1029/2020GC009592)), which allows standardization under consideration of full error propagation and has been used for the InterCarb community effort ([Bernasconi et al., 2021](https://doi.org/10.1029/2020GC009588)).
This web-app allows users to discover replicate- or sample-based processing results in interactive spreadsheets and plots.

<br>

Example data is accessible from the Data-IO page, or can be downloaded from [GitHub](https://github.com/itsMig/D4Xgui/tree/main/D4Xgui/static).
Please check `INSTALLATION.md` to find help setting up D4Xgui.

<br>

In order to process post-background corrected data (Data-IO page, Upload δ⁴⁵-δ⁴⁹ replicates tab), the following columns need to be provided (`.xlsx`, `.csv`):

| `UID` | `Sample` | `Session` | `Timetag` | `d45` | `d46` | `d47` | `d48` | `d49` |
|----|----|----|----|----|----|----|----|----|

$~$

Baseline correction can be performed using a m/z47.5 half-mass cup. For this purpose either a set of equilibrated gases (via heated-gas-line), or carbonate standards (via target values) is used to determine m/z47, m/z48 and m/z49-specific scaling factors. Please upload a cycle-based spreadsheet (`.xlsx`, `.csv`) including the following columns (Data-IO page, Upload m/z44-m/z49 intensities tab):

| `UID` | `Sample` | `Session` | `Timetag` | `Replicate` |
|----|----|----|----|----|

| `raw_r44` | `raw_r45` | `raw_r46` | `raw_r47` | `raw_r48` | `raw_r49` | `raw_r47.5` |
|----|----|----|----|----|----|----|

| `raw_s44` | `raw_s45` | `raw_s46` | `raw_s47` | `raw_s48` | `raw_s49` | `raw_s47.5` |
|----|----|----|----|----|----|----|


<br><br>
Please find the [code documentation here](https://itsmig.github.io/D4Xgui/index.html).
echopykits10 0.1.0
My short description for my project.
License: MIT
Requires Python: >=3.6.0


📦 setup.py (for humans)
=======================

This repo exists to provide [an example setup.py] file, that can be used
to bootstrap your next Python project. It includes some advanced
patterns and best practices for `setup.py`, as well as some
commented–out nice–to–haves.

For example, this `setup.py` provides a `$ python setup.py upload`
command, which creates a *universal wheel* (and *sdist*) and uploads
your package to [PyPi] using [Twine], without the need for an annoying
`setup.cfg` file. It also creates/uploads a new git tag, automatically.

In short, `setup.py` files can be daunting to approach, when first
starting out — even Guido has been heard saying, "everyone cargo cults
thems". It's true — so, I want this repo to be the best place to
copy–paste from :)

[Check out the example!][an example setup.py]

Installation
-----

```bash
cd your_project

# Download the setup.py file:
#  download with wget
wget https://raw.githubusercontent.com/navdeep-G/setup.py/master/setup.py -O setup.py

#  download with curl
curl -O https://raw.githubusercontent.com/navdeep-G/setup.py/master/setup.py
```

To Do
-----

-   Tests via `$ setup.py test` (if it's concise).

Pull requests are encouraged!

More Resources
--------------

-   [What is setup.py?] on Stack Overflow
-   [Official Python Packaging User Guide](https://packaging.python.org)
-   [The Hitchhiker's Guide to Packaging]
-   [Cookiecutter template for a Python package]

License
-------

This is free and unencumbered software released into the public domain.

Anyone is free to copy, modify, publish, use, compile, sell, or
distribute this software, either in source code form or as a compiled
binary, for any purpose, commercial or non-commercial, and by any means.

  [an example setup.py]: https://github.com/navdeep-G/setup.py/blob/master/setup.py
  [PyPi]: https://docs.python.org/3/distutils/packageindex.html
  [Twine]: https://pypi.python.org/pypi/twine
  [image]: https://farm1.staticflickr.com/628/33173824932_58add34581_k_d.jpg
  [What is setup.py?]: https://stackoverflow.com/questions/1471994/what-is-setup-py
  [The Hitchhiker's Guide to Packaging]: https://the-hitchhikers-guide-to-packaging.readthedocs.io/en/latest/creation.html
  [Cookiecutter template for a Python package]: https://github.com/audreyr/cookiecutter-pypackage