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ZXF1012

新虫 (初入文坛)

[求助] 精修结果显示如下,这个问题该如何解决 已有3人参与

提示告诉我说是无序,但我并没有在其周围找到多余的Q峰,求大神帮忙解决!!!!!
PLAT211_ALERT_2_A  ADP of Atom O15 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom N2 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C1 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C3 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C4 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C5 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C8 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C9 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C10 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C11 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C12 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C15 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A ADP of Atom C16 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A ADP of Atom C17 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A ADP of Atom C19 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A ADP of Atom C21 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C24 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C25 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C26 is N.P.D. or (nearly) 2D ... Please Check
PLAT211_ALERT_2_A  ADP of Atom C31 is N.P.D. or (nearly) 2D ... Please Check
PLAT213_ALERT_2_A Atom O7 has ADP max/min Ratio ..... 16.4 oblate
PLAT213_ALERT_2_A Atom C20 has ADP max/min Ratio ..... 13.6 prolat
PLAT350_ALERT_3_A Short C-H (X0.96,N1.08A) C32 - H32A ... 0.65 Ang.
PLAT352_ALERT_3_A Short N-H (X0.87,N1.01A) N12 - H12A ... 0.55 Ang
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xja1830

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【答案】应助回帖

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感谢参与,应助指数 +1
ZXF1012(TonyGeN代发): 金币+2, 感谢参与交流 欢迎常来晶体版 2014-12-29 17:12:29
这么多NPD,简直奔溃啊有没有?不过LZ应该好好了解下NPD原因才能解决问题。有时候结构对某些因素很敏感的话,溶剂分子直接kill或原子指认错误或空间群选错的话都会出现很多让人抓狂的NPD的。
以一颗执着不变的心,勇往直前,迎向未来。
3楼2014-12-29 17:03:11
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★ ★
感谢参与,应助指数 +1
ZXF1012(TonyGeN代发): 金币+2, 感谢提供建议 欢迎常来晶体版 2014-12-29 17:12:07
本帖仅楼主可见
2楼2014-12-29 16:23:08
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【答案】应助回帖

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感谢参与,应助指数 +1
ZXF1012(TonyGeN代发): 金币+2, 感谢提供建议 欢迎常来晶体版 2014-12-29 17:12:36
应该是解析的问题,不然不会那么多错误
以大多数人的努力程度,还轮不到去拼天赋的地步
4楼2014-12-29 17:06:21
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