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【答案】应助回帖

★ ★ ★
wanglianzeng(金币+8): 2011-07-25 21:06:42
帝夫(金币+3, CMEI+1): 很详细，授予CMEI一枚，继续加油哦~ 2011-07-25 22:29:28

引用回帖:

Originally posted by wanglianzeng at 2011-07-25 20:06:30:
DIFF007_ALERT_1_A _diffrn_reflns_number is missing
Total number of reflections measured.
The following tests will not be performed.
REFLG_01,REFLT_01
CHEMW01_ALERT_1_A The ratio of given/expect ...

DIFF007_ALERT_1_A _diffrn_reflns_number is missing
Total number of reflections measured.
The following tests will not be performed.
把cif中关于密度的一条后，改成“？”
REFLG_01,REFLT_01
CHEMW01_ALERT_1_A The ratio of given/expected molecular weight as calculated
from the _chemical_formula_sum lies outside
the range 0.90 <> 1.10
Calculated formula weight = 899.5085
Formula weight given = 787.1000
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 46.42 Perc.
把Z值，跟原子个数改一下
PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ?
PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles .......... ?
在ins文件中，加HTAB，精修一下就好了。

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