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July 2010 >> CRYSTALS Version 14.11 is available as a beta-test.
Many small changes in Regularise Replace thanks to a CRYSTALS workshop in Toulouse organised by Carine Duhayon and Laure Vendier. Cif generator now properly includes esds on refined hydrogen bonds, has incrreased figure-fields for cell parameters, and appends constraint and restraint information as _iucr_ data items at end of cif. Improved scaling of difference Pattersons - see forthcoming paper by Flack, Sadki, Thompson etc. Absolute configuration routine (based on PLATON with Ton's permission) extended to provide more diagnostics and additional data to be re-input as absolute-structure strengthening restraints (see paper by Howard etc above). Error tracking for "USE" files has been improved.
Collaboration with Ernesto Mesto (Dipartimento Geomineralogico - Università degli Studi di Bari) uncovered over-sights in the original 1979 code, which lost contributions when a twin component fell onto a centring absence. Difference maps with twinned data now seem to reveal hydrogen atoms very reliably.


BCA/CCG Ninth Intensive Course in X-ray Structure Analysis

April 7th-14th 2003

The ninth intensive course in X-ray Structure Analysis was held in Durham, UK. Of the Chemical Crystallography Lab Oxford: David Watkin was lecturing; Richard Cooper was tutoring; Anna Collins was studying.

Ceilidh

Following a intensive day of Direct Methods and Least Squares, a Ceilidh was held in the main hall of Trevelyan college.

Promenade
Leap
Spin
Hop

Dinner

The course dinner
Go X-RAY
The course dinner
Everyone do something 
 weird - Now.
Iain tries to flog some dodgy Paracetemol solvates. Iain and Katherine
Unwinding after a hard day's "Analysis of Results" and "How to edit CIF files". Simon, Jacqui, Claire, Richard
Jacqui explains non-linear optics to David and Roy. Non-linear optics
Below (background): Some tutors received gifts and cards from their grateful students. Others were dragged to Kloot and given fags and cider (fortunately no photos available). Claire, Richard
Claire, Mark, Victoria, Mike
Right: Would you let these two do your X-ray structure analysis?


[Historical | Bowling | ECM 19 | IUCr 18 | ECM 20 | Durham | BCA 2004 | Didcot ]

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