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A comparison with the crystal structure shows that net planes with hkl = {602̅}, {112̅} (curly brackets indicate all permitted permutations of hkl) are measured.
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These performance enhancements also permit permutation-based significance testing.
Proof (We do not rigorously prove that the heteroclinic cycles exists; this should in principle be possible via rigorous methods with an error bounded integrator - see for example[27].) To show the first part, note that the only invariant subspaces in ( r 1, s 1, r 2, s 2, r 3, s 3 ) permitted by Z 3 permutation symmetries are I 1 : = R 6, I 2 : = { ( r, s, r, s, r, s ) : ( r, s ) ∈ R 2 }.
These permutations permit to increase the probability to obtain non-erroneous pivots during the Gauss elimination.
If the user wanted to widen this search for stereochemical and isotopic variants of CHEMBL15245, then simply changing criteria C to '4' would permit all component mapping permutations to be run.
Classification of background (with two levels) as a fixed effect in the logistic model is simpler than including PCA eigenvectors or CMH clusters where there are many levels (in this case, either 20 or 52), and thus permits large numbers of permutations to be computed in a reasonable time-frame.
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