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[求助] 晶体解析中有些A类错误已有1人参与

晶体解析中有些A类错误，请大神们指点
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 2.127
Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................ 2.13 Why ?
PLAT250_ALERT_2_A Large U3/U1 Ratio for Average U(i,j) Tensor .... 12.6 Note
PLAT307_ALERT_2_A Isolated Metal Atom found in Structure (Unusual) Tb Check
PLAT307_ALERT_2_A Isolated Metal Atom found in Structure (Unusual) Tb0A Check
PLAT307_ALERT_2_A Isolated Metal Atom found in Structure (Unusual) Tb1A Check
PLAT307_ALERT_2_A Isolated Metal Atom found in Structure (Unusual) Tb2A Check
PLAT927_ALERT_1_A Reported and Calculated wR2 Differ by ......... -6.2689 Check
PLAT928_ALERT_1_A Reported and Calculated S value Differ by . -26.243
PLAT934_ALERT_3_A Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 16 Check
PLAT977_ALERT_2_A Check the Negative Difference Density on H01L -2.16 eA-3

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