Calendar

The calendar below provides information on the course's lecture (L) and lab (Lab) sessions.


SES # TOPICS KEY DATES
L1 Overview, syllabus, textbook
Lab1

Lecture on data collection (APEX2), reduction (SAINT and SADABS), analysis (XPREP)

Software installation

L2 Structure solution (SHELXS) and introduction to XP
Lab2

Solving your first structure

Learn the use of SHELXS, XP, and SHELXL on a routine case

L3

Refinement with SHELXL

Hydrogen atoms

Lab3 Hydrogen atoms (cont.) Problems due
L4 Atom type assignment
Lab4

Atom type ambiguities

Problems due
L5 Disorder
Lab5 Refinement of disorder on not so difficult examples Problems due
L6 More on disorder
Lab6 Refinement of a difficult disordered structure Problems due
L7 Pseudo symmetry
Lab7 Pseudo symmetry (cont.) Problems due
L8 Twinning
Lab8 Refinement of merohedral and pseudo-merohedral twins Problems due
L9

More on twinning

CELL_NOW and TWINABS

Lab9 Refinement of non-merohedral twins Problems due
L10 Artefacts
L11 Structure validation using PLATON
Lab10 Using PLATON on our structures Problems due
L12 What else is there?
L13 Hand out final exam Take home exam
Lab11 Discussion Hand in final