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µÚÒ»´Î×öCIFÏ£Íû¸ßÊÖÖ¸½Ì£¨Ô½ÏêϸԽºÃ£© 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 0.673 Additional refinement cycles may be required. PLAT080_ALERT_2_A Maximum Shift/Error ............................ 0.67 PLAT213_ALERT_2_A Atom C42 has ADP max/min Ratio ............. 5.30 prola PLAT213_ALERT_2_A Atom C43 has ADP max/min Ratio ............. 5.30 prola PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 10.00 Ratio PLAT220_ALERT_2_A Large Non-Solvent N Ueq(max)/Ueq(min) ... 4.60 Ratio PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.90 Ratio PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.03 Ratio PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C8 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C43 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C27 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C26 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C28 PLAT415_ALERT_2_A Short Inter D-H..H-X H2WA .. H24 .. 1.71 Ang. PLAT223_ALERT_4_A Large Solvent/Anion H Ueq(max)/Ueq(min) ... 7.62 Ratio PLAT234_ALERT_4_A Large Hirshfeld Difference C42 -- C47 .. 0.31 Ang. |
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