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check cif文件之后的錯誤怎樣消除?
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我的cif文件檢測之后出現(xiàn)了以下問題,小白求教這些問題該怎樣消除!完全不懂,求教! Alert level C PLAT018_ALERT_1_C _diffrn_measured_fraction_theta_max .NE. *_full ! Check Alert level G PLAT005_ALERT_5_G No Embedded Refinement Details Found in the CIF Please Do ! PLAT093_ALERT_1_G No s.u.’s on H-positions, Refinement Reported as mixed Check PLAT154_ALERT_1_G The s.u.’s on the Cell Angles are Equal ..(Note) 0.003 Degree PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 Do ! O1 -PD1 -O2 -C20 79.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 Do ! O2 -PD1 -O1 -C7 120.00 4.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 29 Do ! N1 -PD1 -N2 -C14 -160.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 30 Do ! N1 -PD1 -N2 -C18 20.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 36 Do ! N2 -PD1 -N1 -C5 145.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 37 Do ! N2 -PD1 -N1 -C1 -37.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 87 Do ! O4 -PD2 -O3 -C33 -96.00 39.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 93 Do ! O3 -PD2 -O4 -C46 -91.00 37.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 103 Do ! N4 -PD2 -N3 -C31 -108.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 104 Do ! N4 -PD2 -N3 -C27 69.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 110 Do ! N3 -PD2 -N4 -C44 -63.00 5.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 111 Do ! N3 -PD2 -N4 -C40 116.00 5.00 1.555 1.555 1.555 1.555 PLAT794_ALERT_5_G Tentative Bond Valency for Pd1 (II) . 2.22 Info PLAT794_ALERT_5_G Tentative Bond Valency for Pd2 (II) . 2.22 Info |
» 搶金幣啦!回帖就可以得到:
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