解像度: 2.1→45.15 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.953 / SU B: 7.263 / SU ML: 0.1 / 交差検証法: THROUGHOUT / ESU R: 0.148 / ESU R Free: 0.129 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : RESIDUAL ONLY
Rfactor
反射数
%反射
Selection details
Rfree
0.19255
1764
5 %
RANDOM
Rwork
0.17303
-
-
-
obs
0.17404
33410
99.84 %
-
溶媒の処理
イオンプローブ半径: 0.7 Å / 減衰半径: 0.7 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK