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update to version 2.2
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jonwzheng committed Sep 18, 2024
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**Important note: This is an early release of this dataset. The detailed process of digitization and curation of this dataset can be found in the *IUPAC pKa Data Digitization Report* attached in this repository. Our validation process is ongoing and will continue. Please be advised that a few errors and inconsistencies may still exist.**

### Dataset version: v2.1
### Dataset version: v2.2

## Description

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This material is available for reuse under a [CC BY-NC 4.0](https://creativecommons.org/licenses/by-nc/4.0/) license with the following attribution: Reproduced by permission of International Union of Pure and Applied Chemistry.

## Recommended Citation
Zheng, Jonathan W. and Lafontant-Joseph, Olivier. (2024) IUPAC Digitized pKa Dataset, v2.1. Copyright © 2024 International Union of Pure and Applied Chemistry (IUPAC), The dataset is reproduced by permission of IUPAC and is licensed under a [CC BY-NC 4.0](https://creativecommons.org/licenses/by-nc/4.0/). Access at https://doi.org/10.5281/zenodo.7236453.
Zheng, Jonathan W. and Lafontant-Joseph, Olivier. (2024) IUPAC Digitized pKa Dataset, v2.2. Copyright © 2024 International Union of Pure and Applied Chemistry (IUPAC), The dataset is reproduced by permission of IUPAC and is licensed under a [CC BY-NC 4.0](https://creativecommons.org/licenses/by-nc/4.0/). Access at https://doi.org/10.5281/zenodo.7236453.

This GitHub repository serves as a working copy for the dataset. Please refer to the Zenodo DOI badge linked at the top of this README.


## Data & File Overview

**File List**
* `iupac_high-confidence_v2_1.csv` : pKa dataset.
* `iupac_high-confidence_v2_2.csv` : pKa dataset.
* `IUPAC_pK_DataDigitizationReport.pdf` : Report describing methods of creating this dataset.
* `reference_code_translation.csv`: Spreadsheet containing reference codes.
* `method_translation.csv`: Spreadsheet containing method codes.
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