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刘群丽well

新虫 (小有名气)

应助: 0 (幼儿园)
金币: 331.6
帖子: 112
在线: 15.2小时
虫号: 5106407
注册: 2016-10-11
专业: 无机材料化学

[求助] 想请教一下大神check cif 出现此类A级错误应该怎么处理啊，见word

Alert level A
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 1.310
Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.31 Why ?
PLAT211_ALERT_2_A ADP of Atom O4 is N.P.D. or (nearly) 2D . Please Check
PLAT211_ALERT_2_A ADP of Atom O19 is N.P.D. or (nearly) 2D . Please Check
PLAT211_ALERT_2_A ADP of Atom N1 is N.P.D. or (nearly) 2D . Please Check
PLAT211_ALERT_2_A ADP of Atom C2 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 C6 is N.P.D. or (nearly) 2D . Please Check
PLAT211_ALERT_2_A ADP of Atom C7 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 C13 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 C18 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 C20 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
PLAT213_ALERT_2_A Atom O10 has ADP max/min Ratio ..... 5.4 prolat
PLAT213_ALERT_2_A Atom C5 has ADP max/min Ratio ..... 6.2 prolat
PLAT214_ALERT_2_A Atom O2W (Anion/Solvent) ADP max/min Ratio 6.2 oblate
PLAT417_ALERT_2_A Short Inter D-H..H-D H16A ..H20A . 1.65 Ang.
x,1+y,1+z = 1_566 Check
PLAT417_ALERT_2_A Short Inter D-H..H-D H2WA ..H4WA . 1.46 Ang.
-1+x,1+y,z = 1_465 Check
PLAT417_ALERT_2_A Short Inter D-H..H-D H3WA ..H9 . 1.62 Ang.
-1+x,1+y,z = 1_465 Check

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