TwinSolve
Tackle twins confidently with TwinSolve
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View a slide presentation to see TwinSolve in action on a challenging twinned sample. |
Non-merohedral twins can now be handled by non-specialists. The power of TwinSolve quickly turns the user into an expert!
With the advent of the use of CCD and imaging plate detectors to collect diffraction data, the presence of twinning in many samples has become much more apparent to small molecule crystallographers. Since reflections from all twin components are collected simultaneously on an area detector, indexing and integrating these samples is a new challenge for many scientists. Integrating overlapped reflections and applying absorption corrections to non-merohedral twins can be especially problematic, even when the individual components can be indexed separately.
Tame the problem with the simple interface
The TwinSolve plug-in for CrystalClear makes identifying, indexing and integrating data from non-merohedral twins a simple step-by-step procedure.
- Finds the unit cell for each component of a twin
- Color-codes the reflections to illustrate the twinning graphically
- Integrates all reflections, including the overlapping ones
- Accurately applies absorption and scaling corrections
- Writes a SHELX twin-format (HKLF 5) reflection file
Turn troublesome twins into triumphs
That list of problem crystals is no longer an impediment to your research—TwinSolve paves the way to the results you need.
Using TwinSolve, it is now possible to easily determine the twinning relationship for these samples, collect and process the data, and ultimately solve structures that were previously unsolvable. TwinSolve is an optional component of Rigaku's CrystalClear™ area detector data processing software that handles indexing, cell parameter refinement, reflection integration, absorption correction and file output. All components having the same cell are refined together, producing a single, self-consistent set of unit cell dimensions.
The combination of CrystalClear—with its fully integrated TwinSolve module—and CrystalStructure™—which employs robust and easy-to-use twin refinement utilities and includes tests to indicate merohedral twinning—allows users to readily handle non-merohedral twins, split crystals and modulated structures.