# `02_CalculationData`

`02_CalculationData` stores archived calculated JSON records. These are
generated model results, not experimental source data.

## Prerequisites

No setup is required to inspect the JSON files directly. To load them through
`equi_gel`, install the repository environment from
[`../README.md`](../README.md).

## File Types

- `CAL_LLE_*`: calculated coexistence records for solvent and polymer/gel
  phase-equilibrium workflows
- `CAL_PUR_*`: calculated pure-component property records

Filenames encode the components, temperature where applicable, source or
comment label, and a timestamp suffix. The current archive includes multiple
timestamped snapshots for the same systems, including `2026_01_27` and
`2026_03_29` generations for several solvent-system records.

## Current Scope

The archived records cover the parameter-source comparisons used by the solvent
workflows (`esper`, `grob`, `bahrabadi`, and `arndt` where applicable). The
plotting scripts in `05_SolventSystems/` consume these files directly instead
of recalculating every state from scratch.

## Notes

`equi_gel.save_load_json.load_lle_record` resolves relative paths against the
repository root and both data folders. New calculated records written through
the helper functions are placed here when the record type contains
`calculation`.
