Skip to content

Commit

Permalink
update to v2.1
Browse files Browse the repository at this point in the history
  • Loading branch information
jonwzheng committed Jul 10, 2024
1 parent 77f4866 commit 0b5a488
Show file tree
Hide file tree
Showing 2 changed files with 98 additions and 98 deletions.
8 changes: 4 additions & 4 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@

**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: v2.0
### Dataset version: v2.1

## Description

Expand All @@ -13,7 +13,7 @@ This repository includes "high-confidence" pKa data digitized from three referen
- **Perrin**: International Union of Pure and Applied Chemistry, DD Perrin. *Dissociation Constants of Organic Bases in Aqueous Solution*; Butterworths, 1965
- **Perrin Supplement**: International Union of Pure and Applied Chemistry, DD Perrin. *Dissociation Constants of Organic Bases in Aqueous Solution, Supplement*; Butterworths, 1972

With permission from the copyright holder, the International Union of Pure and Applied Chemistry (IUPAC), the reference books were scanned, converted to digital data, checked for accuracy, and curated for accessibility, interoperability, and reusability between the dates of Friday, Sept. 10, 2021 and Thursday, Sept. 15, 2022 by Jonathan Zheng (jonzheng@mit.edu). Further processing and curation was performed between Jan. 8, 2024 to Feb. 22, 2024 by Jonathan Zheng and Olivier Lafontant-Joseph (olivj23@mit.edu).
With permission from the copyright holder, the International Union of Pure and Applied Chemistry (IUPAC), the reference books were scanned, converted to digital data, checked for accuracy, and curated for accessibility, interoperability, and reusability between the dates of Friday, Sept. 10, 2021 and Thursday, Sept. 15, 2022 by Jonathan Zheng (jonzheng@mit.edu). Further processing and curation was performed between Jan. 8, 2024 to Feb. 22, 2024 by Jonathan Zheng and Olivier Lafontant-Joseph (olivj23@mit.edu). Further updates were committed on: July 10th, 2024.

## Contributors:
Jonathan Zheng
Expand Down Expand Up @@ -41,15 +41,15 @@ Copyright © 2024 International Union of Pure and Applied Chemistry.
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, v2.0. 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, v2.1. 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.

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_0.csv` : pKa dataset.
* `iupac_high-confidence_v2_1.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.
Expand Down
Loading

0 comments on commit 0b5a488

Please sign in to comment.