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GOF, Σ[w(F2o, F2 c)2, n, p)]1/2, where n and p denote the number of data and parameters. R1, Σ||Fo, F c||)/Σ|Fo, wR2, Σ-[w(Fo 2, Fc2)2]/Σ[w(F o2)2]]1/2 where w, 1/[σ2(F2o, aP)2, bP] and P, max; 0, F2o, 2Fc2]/3
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2]/3.
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