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【求助】怎么解决这个问题--感谢大家
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Finally the PLATON check gives a warning concerning checking the twin law (see below). Has this been checked and what is the result? Criteria: DeltaI/SigmaI .GT. 4.0, DeltaTheta 0.10 Deg., NselMin = 50 Wavelength Used in this Analysis 1.54186 Ang. N(refl) = 3050, N(selected) = 29, IndMax = 5, CritI = 0.1, CritT = 0.10 2-axis ( 1 0 -1 ) [ 5 0 -1 ], Angle () [] = 0.66 Deg, Freq = -8 ( 0.673 0.000 -0.335) (h1) (h2) Nr Overlap = 191 ( 0.000 -1.000 0.000) * (k1) = (k2) BASF = 0.29 (-1.633 0.000 -0.673) (l1) (l2) DEL-R =-0.015 2-axis ( 0 0 1 ) [ 1 0 3 ], Angle () [] = 0.45 Deg, Freq = -11 (-0.997 0.000 0.008) (h1) (h2) Nr Overlap = 327 ( 0.000 -1.000 0.000) * (k1) = (k2) BASF = 0.23 ( 0.666 0.000 0.997) (l1) (l2) DEL-R =-0.013 2-axis ( 1 0 -1 ) [ 5 0 -1 ], Angle () [] = 0.66 Deg, Freq = 8 ( 0.656 0.000 -0.344) (h1) (h2) Nr Overlap = 251 ( 0.000 -1.000 0.000) * (k1) = (k2) BASF = 0.27 (-1.656 0.000 -0.656) (l1) (l2) DEL-R =-0.013 2-axis ( 0 0 1 ) [ 1 0 3 ], Angle () [] = 0.45 Deg, Freq = 11 (-1.000 0.000 0.000) (h1) (h2) Nr Overlap = 389 ( 0.000 -1.000 0.000) * (k1) = (k2) BASF = 0.20 ( 0.637 0.000 1.000) (l1) (l2) DEL-R =-0.010 ---------------------- 感谢大家 |
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2楼2010-03-25 16:15:45