实际案例2- atom list out of sequence
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Reviewer comment:
This compound has an acceptable atom labelling scheme and the atom listis for the most part well ordered (only C32, C26 and C33 out ofsequence).
solution:
Sort the atom list in OLEX2 in logical order and then do refinement
reference:
PLAT795 Type_4Test for C-atom Labels Ordered
Atoms in the CIF are notgiven in logical order (i.e. C1, C2 etc.)
The recommended procedureis to sort the atom list in some logical
order before the finalrefinement cycles.

