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elwew木虫 (正式写手)
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[求助]
13个C类错误怎么改啊
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PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 41 Perc. PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 -- C8 .. 6.8 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C12 -- C13 .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 7.0 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C28 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0074 Ang PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C23 - C24 ... 1.53 Ang. -------------------------------------------------------------------------------- |
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12楼2012-03-30 09:48:55
huahua1216
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2楼2012-03-29 20:05:19
elwew
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3楼2012-03-29 20:11:53
marise
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【答案】应助回帖
感谢参与，应助指数 +1
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以下几个能处理以下： PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 -- C8 .. 6.8 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C12 -- C13 .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C25 -- C26 .. 7.0 su 在ins 文件中加入 DeLU 0.0001 C7 C8 DeLU 0.0001 C12 C13 DeLU 0.0001 C25 C26 精修试试 |
» 本帖已获得的红花（最新10朵）
elwew4楼2012-03-29 21:04:45