UK X-Ray Tutorials


Routine MoKα data collection

Data collection for a well-behaved crystal

Structure solution and refinement

A straightforward structure: sucrose

Simple disorder

A case of simple disorder: sorbose

Whole-molecule disorder

Modelling and refinement of whole-molecule disorder

Two-fold twinning by pseudo-merohedry

Solution and refinement of a pseudo-merohedric twin

Three-fold reticular pseudo-hexagonal twinning in B21

An unusual case mitigated by an unconventional space group setting

Four-fold reticular pseudo-tetragonal twinning via an I-supercell

Includes manual construction of an 'HKLF 5' format datafile

Combined twinning and disorder

Uric acid dihydrate - a classic! Includes FRAG...FEND example


Crystals and crystal growth

Elementary physical chemistry of crystal growth

Electron density and Fourier theory

A brief introduction to electron density modelling

'How-to' instructions

Shelxtl XP on a Mac

How to make XP work on macOS 10.7.x -- 12.2 (and OSX 10.5.x -- 10.6.8)

Tutorials from the crypt

(No longer maintained, but might still be useful)