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13 th workshop on Jana2006: powder option Focus: refinement (Jana is not a solution program)

13 th workshop on Jana2006: powder option Focus: refinement (Jana is not a solution program) No preliminary knowledge of Jana2006 required -> two single crystal examples for people without experience with Jana. Workshop program Wednesday 26 September 09:00 Opening (Michal Dušek)

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13 th workshop on Jana2006: powder option Focus: refinement (Jana is not a solution program)

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  1. 13th workshop on Jana2006: powder option Focus: refinement (Jana is not a solution program) No preliminary knowledge of Jana2006 required -> two single crystal examples for people without experience with Jana.

  2. Workshop program Wednesday 26 September 09:00 Opening (Michal Dušek) 09:10 Lecture: Introduction to Jana2006 (Michal Dušek) 09:30 Powder option in Jana2006 (Václav Petříček) 10:00 Coffee break 10:15 Distribution of flash disks + installation of programs 10:30 Example 1.1 (Zn - simple 3d structure from single crystal data) Example 2.1 (PbSO4 - simple structure from powder data) Example 2.2 (Y2O3 - correction for profile asymmetry) 12:30 Lunch 13:30 Lecture: restrains and constrains in Jana2006 (Michal Dušek) 14:00 Example 2.3.1 (Magcag – organometallic structure from powder data) 15:00 Coffee break 15:15 Example 2.4 (Phenyl - application of geometry constraints) 18:00 End

  3. Thursday 27 September 09:00 Lecture: Introduction to modulated structures (Václav Petříček) 09:30 Example 5.2 (Na2CO3 – simple modulated structure from single crystal data) 10:00 Coffee break 10:15 Example 5.2 (continued) Example 6.1 (KSm - modulated structure solved from powder data) 12:30 Lunch 13:15 Workshop photo in front of the building A 13:30 Example 2.3.2 (Magcag - preparation of the rigid body template M45) 15:00 Coffee break 15:15 Example 2.3.3 (Magcag - application of the rigid body template) 18:00 End of workshop

  4. Flash disks Don’t use your “old” preinstalled versions of Jana2006 Don’t use flash disk for calculation. Copy the files to hard disk. Don’t install Jana2006 to desktop Please return the flash disks today afternoon in order to copy the files needed for Wednesday.

  5. Lunches: 2*65=130 CZK To Vaclav Petricek Certificates IUCr materials

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