Import/Export JSON scripts

  • Flexible way to import thermodynamic data from different database file formats (e.g. slop, csv, json-thereda, GEM-Selektor, phreeqc, etc.)

Queries and import/export scripts are user-defined JSON documents that can also be saved into the ThermoHub database

Define a format file that matches the data fields of the imported file to those in our own data format

Import from foreign formats: structured data, text stream, key-value, or CSV

Define a reverse match to export data from the database format into other formats (e.g. ReactionSet data into PHREEQC.DAT format)

  • Export GEM type thermodynamic databases (standard properties of substances) into LMA type (logK for product species formed from master species)

  • Import LMA-type reaction-logK dataset and convert/merge it into GEM-type thermodynamic data set (e.g. PSI-Nagra into its version for GEMS) Take data for master species as such and clone product species as reaction-defined

(new) ThermoMatch import export python / JupyterNotebooks

Import / Export to / from ThermoHub using jsonimpex scripts

A collection of Jupyter notebooks used to import(export) foreign format data to and from ThermoHub database. ThermoHub aims to ensure the consistency traceability and completeness of thermodynamic datasets within a unified thermodynamic database in an general JSON format, accessible from zenodo, gihub or db.ThermoHub.org, with datasets ready to use for geochemical modelling applications.

See thermoimpex-jupyter Github Repository

ThermoMatch import export graphical interface

Import-Substances
Import one type of data from a foreign format. Substance records from DEW14 database

Once the import script exists, it can always be used to import records from that format.

Import-ThermoDataset
Import one a full ThermoDataSet form a foreign format file continuing element, substance, reaction, and phase records. Import a ThermoDataSet from Thereda database format

Importing multiple records at once, from one foreign format file requires multiple import scripts to be defined for each record type. Each script defines how to find the data filed in the foreign file and put it into the ThermoHub format.

Import-ThermoDataset
Export in a foreign format, multiple records. Export into phreeqc.dat format

Exporting multiple records at once, from one ThermoDataSet requires multiple export scripts to be defined for each record type. Each script defines how to write the required data block for each record in the foreign file format.