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REFINE

Three parameters can be specified: max_indx, max_chisq and min_angle. These parameters influence the initial refinement of the non-conventional unit cells found by TRCELL. The parameter max_indx (default 5) is the maximum value for |u|, |v|, or |w| used to index the selected ndlvs. The second parameter max_chisq (default 250.0) is used to speed up the indexing of the ndlvs by rejecting all the combinations u v w that give a larger than max_chisq. The third parameter min_angle (default 1.0) is used for two things: i) it specifies the minimum angle between an ndlv and a calculated direct lattice vector before the ndlv is considered to be indexed, ii) it specifies the minimum angle between two ndlvs that have a minimum of mcombine spots contributing to it in common, before these two conics are combined.


format refine max_indx max_chisq min_angle default refine 5 250.0 1.0 example refine 6 300.0 1.0



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