justinzzw/massbank-data

Official repository of open data MassBank records

MassBank-data validation status

This repo contains all MassBank records and uses the Travis CI to validate the content of all records with the new Validator from MassBank-web.

Validate new record files locally (linux only)

To validate new record files locally please clone this repo. Under the .scripts directory create the source tree of the MassBank-web project and compile it, because the validator program is needed. You can use the following commands:

git clone --depth 1 -q https://github.com/MassBank/MassBank-web.git .scripts/MassBank-web
mvn -q -f .scripts/MassBank-web/MassBank-Project/MassBank-lib/pom.xml install

Now its possible to validate record files locally. validate.sh supports validation of a single record file, several files as well as one or several directories containing record files, eg.

./.scripts/validate.sh AAFC

To validate the full date repository please use the validate_all_local.sh script.

Submit new records to MassBank-data or modify existing records

To submit data or to change existing records:

1. Please fork this repo and make your changes or add new content.
2. To enable automatic validation of records in a new subdirectory please run ./.scripts/pre-commit or create a symlink/copy ./.scripts/pre-commit to .git/hooks/pre-commit prior commiting the changes.
3. Commit and push your changes to your repo.
4. Create a pull request.

Your pull request will be validated and you will receive a report whether your records meet the MassBank specs.

Generation of new records for upload to MassBank-data

The preferred software to generate MassBank records is RMassBank. RMassBank is in continous development. Hence, use the latest version available, please.