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gxmdlzr

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[求助] 求助cif文件三个A.B问题处理的方法 已有1人参与

请问以下checkcif的A类错误如何处理:
问题一:PLAT973_ALERT_2_A Check Calcd Positive Resid. Density on       Dy1       2.05 eA-3  
问题二: PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full value Low .      0.939 Why?  
问题三:PLAT911_ALERT_3_B Missing FCF Refl Between Thmin & STh/L=    0.595        606 Report
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allenlee527

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【答案】应助回帖

感谢参与,应助指数 +1
1是Dy1原子周围有较重Q峰,可以尝试重新做吸收校正或者切掉部分高角度点,2和3都是数据完整度低,缺少部分衍射点,尝试切掉部分高角度点或者重新收集
2楼2019-05-17 21:35:39
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