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The cells were not correctly refined and/or combined

Each unit cell found by TRCELL is refined based on a number of indexed normalized reciprocal lattice vectors (nlrv's). This process should normally work automatically, but can be influenced by the user using the refine command.

After the initial refinement, the unit cell will be reduced, and the list of unit cells will be combined. The largest acceptable error between different unit cells to be identified as being the same, can be changed using the AxEq and AngEq commands. Current values of these parameters are listed using:


list parameters



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