我有两个晶体,一个是手性的问题我用了MERG4 TWIN BASF这个晶体是 Mg 和右旋的酒石酸配位的,是我同学做的,他投了晶体学报C,审稿人说是有手性的让他处理好,我就用了哪几个命令处理的。处理完_refine_ls_abs_structure_Flack 0(10)
CHECKCIF得到的ALERTPLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su .. 10.00
STRVA01_ALERT_4_C Flack test results are meaningless.
From the CIF: _refine_ls_abs_structure_Flack 0.000
From the CIF: _refine_ls_abs_structure_Flack_su 10.000REFLT03_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 28.30
From the CIF: _reflns_number_total 528
Count of symmetry unique reflns 528
Completeness (_total/calc) 100.00%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 0
Fraction of Friedel pairs measured 0.000
Are heavy atom types Z>Si present no
CHECKCIF建议用merg4,否则有一个ALERT B,用了merg4后ALERT B消失 .
请问peterkd专家,这些ALERT该如何消除?