Use case "Characterisation taking into account radiation damage"
This is one of the proposed use cases that must be implemented and running in a proptotype till June 2008. This use case ressembles the standard "Collect and characterise" function available in DNA 1.X but extends it:
- The indexing should be made by one (user choice) or several programs
- Radiation damage should be taken into account
It should also be more flexible:
- A variable number of diffraction images can be used in the characterisation
This use case does not deal with multi-position or multi-crystal data collections.
|Use Frequency||Frequently used|
|Direct Actors||User or kernel (executed from another use case)|
One or several reference diffraction images :
- Same beamline (i.e. same detector)
- Single wavelength
- Same distance
- Single crystal
- Rotated around a single axis
Common data collection parameters:
A list of images:
- Data collection parameters for each image:
- Beamline parameters:
- Beam size
- Radiation damage characterisation parameters
- Sample / crystal parameters :
- Index / strategy override parameters:
- Choice of indexing program(s): (MOSFLM, XDS or Labelit)
- Success criteria parameters
- A data collection strategy containing one or several sub-wedges and as well the initial wedges necessary for Labelit / cell post refinement
- Output parameters for e.g. a data base
Main Success Scenario
- Successful execution of Use case "Pre-screening of diffraction images"
- Successful execution of Use case "Indexing with one or more programs (MOSFLM, XDS and Labelit)"
- Successful execution of Use case "Integration with MOSFLM, produce input files for BEST"
- Successful execution of Use case "Strategy calculation using RADDOSE and BEST"