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2274162捐助貴賓 (職業(yè)作家)
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[求助]
這么多錯(cuò)誤怎么精修?
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B類C類錯(cuò)誤,怎么辦? Alert level B RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.417 PLAT031_ALERT_4_B Refined Extinction Parameter within Range ...... 2.000 Sigma PLAT084_ALERT_2_B High wR2 Value ................................. 0.42 PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0111 Ang Alert level C RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.126 PLAT082_ALERT_2_C High R1 Value .................................. 0.13 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C19 H18 N2 -------------------------------------------------------------------------------- |
鐵桿木蟲 (職業(yè)作家)

至尊木蟲 (職業(yè)作家)
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下面這幾個(gè)level B才是關(guān)鍵問題, 樓上講得沒錯(cuò), 推測晶體解析R值仍然過高導(dǎo)致, 只需將晶體稍微再經(jīng)修過應(yīng)該就沒問題了!! Alert level B RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.417 PLAT031_ALERT_4_B Refined Extinction Parameter within Range ...... 2.000 Sigma PLAT084_ALERT_2_B High wR2 Value ................................. 0.42 PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0111 Ang |

鐵桿木蟲 (著名寫手)

銀蟲 (正式寫手)

銀蟲 (正式寫手)

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