Use case "Indexing with one or more programs (MOSFLM, XDS and Labelit)"

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Summary

This use case make use of three other use cases: indexing with MOSFLM, indexing with XDS and indexing with Labelit. The indexing should be made either by one of these programs or with two or three programs in parallel.

Importance Very important
Priority High priority
Use Frequency Frequently used
Direct Actors Kernel
Pre-requirements Kernel running

Input

Required

Common data collection parameters:

A list of images:

  • Prescreening acceptable ie spots on images

Optional

  • Forced symmetry
  • Choice of indexing program(s): (MOSFLM, XDS or Labelit)

Output

Required

  • Orientation matrix
  • Unit cell parameters
  • Possible Space group(s) (Laue group ?)
  • Parameters to judge success - this measure maybe different for different programs
  • Rms error in spot positions
  • Percentage of spots indexed
  • shift in main beam position
  • rms error for the triclinic solution
  • list of all possible solutions ( For each program ?)

Optional

Main Success Scenario

Depending on the input, the indexing will be performed by one, two or three different programs:

Variations

Notes and Questions