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ggzwxt金蟲(chóng) (小有名氣)
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[求助]
B、C類(lèi)錯(cuò)誤 已有2人參與
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Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections (too) Low .. 31 % Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference Ag1 -- N6_a .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N1 -- C2 .. 0.22 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N3 -- C6 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C23 .. 0.21 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C24 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C5 -- C6 .. 0.21 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C8 -- C9 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C11 .. 0.19 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C20 -- C22 .. 0.19 Ang. PLAT241_ALERT_2_C High ’MainMol’ Ueq as Compared to Neighbors of N1 Check PLAT242_ALERT_2_C Low ’MainMol’ Ueq as Compared to Neighbors of C5 Check PLAT244_ALERT_4_C Low ’Solvent’ Ueq as Compared to Neighbors of N7 Check PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.01605 Ang. 這些錯(cuò)誤怎么改?有人說(shuō)Large Hirshfeld Difference Ag1 -- N6_a .. 0.16 Ang.在ins文件中加delu 0.001 0.001 Ag1 N6_a具體在什么位置加,是在plan2后加嗎? |

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金蟲(chóng) (小有名氣)

金蟲(chóng) (小有名氣)

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