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帝夫

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[求助] 编辑要求解决下几个C和G类错误,需要回答吗?

那个B类错一直没解决掉,不知道还有希望不。
编辑划出来那么多C、G类错误要求解决,不知该咋整?这样的错误不回答可以吗?(不过是编辑明确示意要解决下的),大家遇到过这样的问题吗?该怎么解决呢?

这是编辑的问题:
There seem to be crystal structure problems (see the attached PLATON output).
这是他给出的需要解决的部分(红色部分)
Format: alert-number_ALERT_alert-type_alert-level text
430_ALERT_2_B Short Inter D...A Contact O11 .. O11 .. 2.61 Ang.
#==============================================================================
244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C2
244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C26
250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.12

342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 10
430_ALERT_2_C Short Inter D...A Contact O2 .. O31 .. 2.85 Ang.
430_ALERT_2_C Short Inter D...A Contact O60 .. O68 .. 2.89 Ang.
#==============================================================================
003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 6
083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 21.00
232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo19 -- O5 .. 7.21 su
232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo2 -- O44 .. 5.44 su
232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo2 -- O48 .. 6.26 su
232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo7 -- O50 .. 6.74 su
232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo7 -- O73 .. 6.11 su
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C1
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C36
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C13
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C25
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C22
380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C12
432_ALERT_2_G Short Inter X...Y Contact O68 .. C2 .. 2.97 Ang.
793_ALERT_4_G The Model has Chirality at P1 (Verify) .... S
793_ALERT_4_G The Model has Chirality at P2 (Verify) .... R
#==============================================================================
具体,如下图:


[ Last edited by 帝夫 on 2011-10-4 at 16:17 ]
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lijunjie84

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我们只要求没A类就ok了,偶尔有问B类错误的,我们的回答是:这个问题是由于什么什么造成的,解释下就过去了!你这投的什么杂志啊,居然会问到c类错误,囧!悲催的帝夫兄,呵呵!!!!!
2楼2011-10-04 16:42:57
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帝夫

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引用回帖:
2楼: Originally posted by lijunjie84 at 2011-10-04 16:42:57:
我们只要求没A类就ok了,偶尔有问B类错误的,我们的回答是:这个问题是由于什么什么造成的,解释下就过去了!你这投的什么杂志啊,居然会问到c类错误,囧!悲催的帝夫兄,呵呵!!!!!

一个小杂志,不知道编辑是咋想的,G类点出一大堆要解决,很无语~~
万俗皆走圆,一生尤学方!
3楼2011-10-04 20:10:35
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