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Statistical expectation value of the Debye-Waller factor and E(hkl) values for macromolecular crystals
R H Blessing1, D Y Guo, D A Langs
1Hauptman-Woodward Research Institute, Buffalo, New York 14203, USA.
Abstract:
If the unit-cell distribution of atomic mean-square displacement parameters B = 8pi(2) is assumed to be normal, with mean micro = and variance sigma(2) = <(B-)(2)>, the statistical expectation value of the Debye-Waller factor W(2) = exp(-2Bs(2)), where s = (sin theta)/lambda, is
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