Use case "Pointless: Determination of Laue group and space group"

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Summary

This use case is running the Pointless LAUEGROUP functionality, from the CCP4 documentation:

"Given test data comprising unmerged observations (file(s) HKLIN or XDSIN), the program looks for possible symmetry based on the unit cell in order to determine the Laue group, ie the symmetry of the diffraction pattern. It then examines axial reflections (and zones for non-chiral crystals) to look for systematic absences to determine the space group."

Input

Required

A test data file comprising unmerged observations HKLIN, a MTZ file.

Optional

Output

Space group and an optional reindexed file.

Required

Optional

Main Success Scenario

Variations

Notes and Questions