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应助: 0 (幼儿园)
金币: 482.1
散金: 174
帖子: 346
在线: 22.4小时
虫号: 14529935
注册: 2019-03-08
专业: 无机合成和制备化学

[求助] 超级多的A类警告，关于ADP类问题

求助：：checkcif之后有超级多的ADP类问题要怎么解决啊
用isor或者delu也限制不了

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 2.114
         Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................    2.11 Why ?
PLAT203_ALERT_2_A Negative Isotropic ADP for P00D    ...........    -0.001 Report
PLAT211_ALERT_2_A ADP of Atom P00D    is N.P.D. or (nearly) 2D .    Please Check
And 26 other PLAT211 Alerts
Less ...
PLAT211_ALERT_2_A ADP of Atom O1       is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00E    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00F    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00H    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00I    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00J    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00K    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00L    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00M    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00N    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00O    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00P    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00Q    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00R    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00V    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00W    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00X    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O00Y    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O011    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O012    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O013    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O014    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O016    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O01B    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O01D    is N.P.D. or (nearly) 2D .    Please Check
PLAT211_ALERT_2_A ADP of Atom O01G    is N.P.D. or (nearly) 2D .    Please Check

PLAT213_ALERT_2_A Atom O01E          has ADP max/min Ratio .....       8.6 prolat
PLAT214_ALERT_2_A Atom N01Q    (Anion/Solvent) ADP max/min Ratio       7.1 prolat@jackdeng@lich666

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