echemdb-ecdata 0.5.2

a database for published electrochemical data inferred from SVG and raw CSV files.

Electrochemistry-data

This repository contains data used for the creation of entries on echemdb.org. The data consist of frictionless based unitpackages, which were creared from SVG, YAML and bibtex (BIB) using svgdigitizer. All input YAML files and output DataPackages are validated against the echemdb-metadata schema.

Accessing Data

Direct Download (Release Section)

The data can be downloaded as a ZIP from the release section.

Unitpackage API

A collection can be created from the the echemdb module of the unitpackages interface (see unitpackages installation instructions).

from unitpackage.database.echemdb import Echemdb
db = Echemdb.from_remote()

Electrochemistry Data API

Install the latest version of the module.

pip install git+https://github.com/echemdb/electrochemistry-data.git

In your preferred Python environment retrieve the URL with the data via

from echemdb_ecdata.url import ECHEMDB_DATABASE_URL
ECHEMDB_DATABASE_URL

Contributing

The preparation and of the files and the extraction of the data from a PDF source is described here.

Development

If you want to work on the data and repository itself, install pixi and clone the repository:

git clone https://github.com/echemdb/electrochemistry-data.git
cd electrochemistry-data

For possible commands run

pixi run

More pixi tasks can be inferred from the pyproject.toml.

Conversion

The repository converts source data into standardized frictionless datapackages:

# Convert all data (SVG digitizer + raw data)
pixi run -e dev convert

# Convert only SVG digitizer data (from literature/svgdigitizer/)
pixi run -e dev convert-svg

# Convert only raw data (from literature/source_data/)
pixi run -e dev convert-raw

# Clean generated data before converting
pixi run -e dev clean-data

A typical workflow:

# Clean previous builds and convert all data
pixi run -e dev clean-data && pixi run -e dev convert

Generated datapackages are written to data/generated/svgdigitizer/ and data/generated/source_data/.

Validation

All data (input YAML and output JSON) is validated against the echemdb-metadata schema.

# Validate input YAML files before conversion
pixi run -e dev validate-input

# Validate generated JSON datapackages after conversion
pixi run -e dev validate-generated

Each validation command shows verbose output listing all validated files. You can also validate specific parts:

# Individual input validation
pixi run -e dev validate-svgdigitizer-yaml  # SVG digitizer YAML files
pixi run -e dev validate-source-yaml        # Raw data YAML files

# Individual output validation
pixi run -e dev validate-svgdigitizer       # Generated SVG digitizer JSON
pixi run -e dev validate-raw                # Generated raw data JSON

Validate against a specific schema version:

pixi run -e dev validate-input --version tags/0.3.3
pixi run -e dev validate-generated --version head/my-branch