UK X-Ray Tutorials


Step-by-step guides

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

Twinning by pseudo-merohedry

Solution and refinement of a pseudo-merohedric twin

Combined twinning and disorder

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

Pseudo-hexagonal twinning in B21

An unusual case requiring an unconventional space group setting

'How-to' instructions

Shelxtl XP on a Mac

How to make XP work on macOS 10.7.x -- 10.14.6 and OSX 10.5.x -- 10.6.8

Tutorials from the crypt

(No longer maintained, but might prove useful)