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wgfz1979

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专业: 配位化学

[交流] 要发E,这样的结果能修改吗?

我想投稿E, check 后,有个B,还有几个C级错误,请兄弟姐妹们帮我看看,能否再修改,若不需修改,这样的结果能发E吗?

Click on the hyperlinks for more details of the test.

Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D    H3    ..  H6    ..    1.83 Ang.

Alert level C
STRVA01_ALERT_4_C          Flack test results are ambiguous.
         From the CIF: _refine_ls_abs_structure_Flack 0.480
         From the CIF: _refine_ls_abs_structure_Flack_su 0.140
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...       6
PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero .....    0.48

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
         correct. If it is not, please give the correct count in the
         _publ_section_exptl_refinement section of the submitted CIF.
         From the CIF: _diffrn_reflns_theta_max          25.01
         From the CIF: _reflns_number_total             2502
         Count of symmetry unique reflns       1495
         Completeness (_total/calc)          167.36%
         TEST3: Check Friedels for noncentro structure
         Estimate of Friedel pairs measured    1007
         Fraction of Friedel pairs measured    0.674
         Are heavy atom types Z>Si present       yes
PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical .       ?

[ Last edited by wgfz1979 on 2009-6-8 at 09:07 ]

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