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ChemCryst / crystals

Refinement and analysis of structures against single crystal diffraction data
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Teach mergein #209

Closed richardicooper closed 3 years ago

richardicooper commented 3 years ago

Some changes copied across from the teaching version branch - mostly changes to text presenation (greek letters, etc) and show ellipsoids by default instead of covalent atoms.

richardicooper commented 3 years ago

Fixed old bug in scaling Fourier peak size to scattering density using the representation of the displacement parameter - goes badly for negative (e.g. difference map) peaks. Found in tests due to change on this branch in displaying the displacement parameters by defaut.