解像度: 1.94→19.73 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.916 / SU B: 8.466 / SU ML: 0.128 / 交差検証法: THROUGHOUT / ESU R: 0.216 / ESU R Free: 0.183 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS.
Rfactor
反射数
%反射
Selection details
Rfree
0.24073
864
5 %
RANDOM
Rwork
0.18341
-
-
-
obs
0.18642
16378
99 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK