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小木虫论坛-学术科研互动平台 » 材料区 » 晶体 » CIF专栏 » 【请教】A级错误请教（ADDSYM Suggests Possible Pseudo/New Space-group）
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dymicx

金虫 (小有名气)

[交流] 【请教】A级错误请教（ADDSYM Suggests Possible Pseudo/New Space-group） 已有4人参与

PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group. P-1

这个怎么修？另外我的数据有好多A类的错误 ，为什么那么多ADP


SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20
Absolute value of the parameter shift to su ratio given 0.369
Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................ 0.37
PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group. P-1
PLAT211_ALERT_2_A ADP of Atom N1 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N2 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N3 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N5 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N6 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N7 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N8 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N9 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N13 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom N16 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C5 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C7 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C9 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C10 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C11 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C21 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C26 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C27 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C32 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom C33 is N.P.D. or (nearly) 2D ... ?
PLAT211_ALERT_2_A ADP of Atom B2 is N.P.D. or (nearly) 2D ... ?
PLAT213_ALERT_2_A Atom C1 has ADP max/min Ratio ..... 6.40 oblat
PLAT213_ALERT_2_A Atom C2 has ADP max/min Ratio ..... 5.70 prola
PLAT213_ALERT_2_A Atom C3 has ADP max/min Ratio ..... 23.20 prola
PLAT213_ALERT_2_A Atom C4 has ADP max/min Ratio ..... 9.40 oblat
PLAT213_ALERT_2_A Atom C6 has ADP max/min Ratio ..... 9.90 oblat
PLAT213_ALERT_2_A Atom C22 has ADP max/min Ratio ..... 7.50 prola
PLAT213_ALERT_2_A Atom C25 has ADP max/min Ratio ..... 15.70 oblat
PLAT213_ALERT_2_A Atom C29 has ADP max/min Ratio ..... 5.90 prola
PLAT374_ALERT_2_A Long N - N Bond N9 - N10 ... 1.48 Ang.
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1楼 2010-08-31 20:27:28
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dymicx

金虫 (小有名气)
引用回帖:
Originally posted by xiaochong98 at 2010-09-01 11:10:12:
你用P 1解析得到双分子，算一下有没有对称中心，貌似需要用P -1重新解析一下。

确实是这样，谢谢
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8楼2010-09-02 10:38:18
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cfocus20

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dymicx(金币+3): 2010-08-31 21:18:06
帝夫(金币+1):感谢回帖交流！ 2010-08-31 23:02:43
可能原因是選錯space group 須將data重新解析!
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Smart_work_and_beautiful_life!
2楼2010-08-31 20:30:54
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dymicx

金虫 (小有名气)
帝夫:感谢回帖交流！ 2010-08-31 23:02:47
引用回帖:
Originally posted by cfocus20 at 2010-08-31 20:30:54:
可能原因是選錯space group 須將data重新解析!

我试试看吧，谢谢了
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3楼2010-08-31 21:18:28
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cluster8676

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小木虫(金币+0.5):给个红包，谢谢回帖交流
帝夫(金币+1):感谢回帖交流！ 2010-08-31 23:02:52
上面不是说让你用P-1解么，你先试试吧
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学无止境
4楼2010-08-31 22:27:58
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