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Crystal Structure Refinement >> Content Detail



Calendar / Schedule



Calendar

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


SES #TOPICSKEY DATES
L1Overview, syllabus, textbook
Lab1

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

Software installation

L2Structure 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

Lab3Hydrogen atoms (cont.)Problems due
L4Atom type assignment
Lab4

Atom type ambiguities

Problems due
L5Disorder
Lab5Refinement of disorder on not so difficult examplesProblems due
L6More on disorder
Lab6Refinement of a difficult disordered structureProblems due
L7Pseudo symmetry
Lab7Pseudo symmetry (cont.)Problems due
L8Twinning
Lab8Refinement of merohedral and pseudo-merohedral twinsProblems due
L9

More on twinning

CELL_NOW and TWINABS

Lab9Refinement of non-merohedral twinsProblems due
L10Artefacts
L11Structure validation using PLATON
Lab10Using PLATON on our structuresProblems due
L12What else is there?
L13Hand out final examTake home exam
Lab11DiscussionHand in final

 








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