check出現(xiàn)一堆問題,求大神解救
:workLAT733_ALERT_1_A Torsion Calc -120.0(11), Rep -120.00(2) ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 9.568 1.555 1.555 7.358 # 55 Check
PLAT733_ALERT_1_A Torsion Calc 120.0(12), Rep 120.00(2) ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 8.448 1.555 1.555 7.358 # 57 Check
PLAT733_ALERT_1_A Torsion Calc 120.0(12), Rep 120.00 ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 9.568 1.555 1.555 8.448 # 62 Check
PLAT733_ALERT_1_A Torsion Calc -120.0(12), Rep -120.00(1) ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 8.448 1.555 1.555 9.568 # 65 Check
PLAT733_ALERT_1_A Torsion Calc -120.0(12), Rep -120.00 ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 7.358 1.555 1.555 8.448 # 66 Check
PLAT733_ALERT_1_A Torsion Calc 120.0(11), Rep 120.00(1) ...... 9.90 s.u.-R
O10 -P1 -O7 -O10 7.358 1.555 1.555 9.568 # 68 Check
PLAT972_ALERT_2_A Check Calcd Resid. Dens. 2.55A From O5 -4.41 eA-3
PLAT976_ALERT_2_A Check Calcd Resid. Dens. 0.45A From O7 -2.39 eA-3
PLAT976_ALERT_2_B Check Calcd Resid. Dens. 0.54A From O10 -1.72 eA-3 ,
附件是ins和hkl文件,求大神幫助一下@jackdeng@lich666

京公網(wǎng)安備 11010802022153號
出現(xiàn) O10 -1.72 eA-3 , 這種負(fù)電荷是怎么回事 數(shù)據(jù)不好嘛,
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