- Ability to run in simulation-only mode
- Multiple crystallographic calculation engines: [CrysPy](https://github.com/ikibalin/cryspy), [CrysFML](https://code.ill.fr/scientific-software/crysfml) and [GSAS-II](https://subversion.xray.aps.anl.gov/trac/pyGSAS)
- Multiple minimization engines: [lmfit](https://lmfit.github.io/lmfit-py/), [bumps](https://github.com/bumps/bumps) and [DFO_LS](https://github.com/numericalalgorithmsgroup/dfols)
- High quality structure visualizer
- Interactive HTML report generation
- Built-in guided tutorials
- Improved visualization of experimental and simulated data
- Structural editor for cells and atoms
- Improved project management
- Parameter searching and filtering
- Engine independent cif interpreter/editor
- Engine independent background generation
Features
- Simulating and fitting time-of-flight (TOF) data using the [CrysPy](https://github.com/ikibalin/cryspy) calculation engine is now supported.
- Dependent and independent parameter constraints can be constructed for use during fitting.
Changes
- Reset the estimated standard deviations on the `Analysis` page after fitting if the `Fit` box becomes unchecked.
Bug Fixes
- The [lmfit](https://lmfit.github.io/lmfit-py/) minimization engine now works with the [CrysFML](https://code.ill.fr/scientific-software/crysfml) and [GSAS-II](https://subversion.xray.aps.anl.gov/trac/pyGSAS) calculators.
- Now project reset clears the simulated curve, experimental data, background and constraints tables.
- Size of the simulation/analysis chart on the `Summary` page has been fixed.
- The `Project save` button enable/disable state is now properly defined.
- Fixed updating a sample model via the build-in `CIF editor`.
- Now undo/redo triggers a parameter table update on the `Analysis` page.