1. Reaching data collection strategies on Kappa goniometers Kappa workshop Leiden 2008

2. Everything put into context Result of selected orientations Flow of information:

3. Everything put into context Input using CCP4 GUI:

4. Everything put into context Output:

5. Current functionality of preprocessor Algorithm: For every position in collision map – Check if scan allowed – Calculate crystal orientation Select suitable orientations, pass to BEST BEST calculates effect of suggested orientations  Oriented on precise collision map sample points  Currently time consuming for large collision maps

6. Next version: any orientation allowed Orientations between collision map points allowed Algorithm: For each orientation suggested – Calculate rotation – Check allowed scan in collision map Select suitable orientations, pass to BEST BEST calculates effect of suggested orientations  Assumes equal step sampling at any value  Assumes that if surrounding points give allowed scan, so do intermediate point  Need to specify sample step clearly?

7. Next actions Decide on future map format – Specify general standard – Equal distances sampling  how stated in BioXDM model/collision map Implement and test the latest version on a beamline – ESRF – Maxlab (debugging) Evaluate real data set Implement multiple xtal data set functionality in BEST

8. Axis of the Collision Map/Free Scan map Current collision map: Restriction on Omega, Kappa. Phi scans: Interval is given for phi axis: Phi can be F(Full), U(Unavailable) or P(Partially available) ( ,  )  Phi restriction=[P,F,U] (2D table) Alignment axesscan axis

9. Axis of the Collision Map/Free Scan map Suggested updates: Restriction on Omega, Kappa (Phi unrestricted). Omega scans: First choice (feasible?): Interval is given for scan axis (Omega) (  )  [  1,  2…]*(1D table) Alignment axisscan axis Second choice: ( ,  )  boolean: available/unavailable(2D table) ( * [  1,  2…] means two omega intervals free for scan.)

10. Axis of the Collision Map/Free Scan map Suggested updates: Restriction on Omega, Kappa (Phi unrestricted). Phi scans: (  )  boolean: available/unavailable(2D table) Alignment axesscan axis Restriction on Omega, Kappa, Phi. Phi scans: (  )  [  1,  2…](2D table) Or second choice: (  )  boolean: available/unavailable(2D table)