解像度: 1.68→26.9 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.955 / WRfactor Rfree: 0.1564 / WRfactor Rwork: 0.1291 / Occupancy max: 1 / Occupancy min: 0.3 / FOM work R set: 0.901 / SU B: 1.498 / SU ML: 0.05 / SU R Cruickshank DPI: 0.1036 / SU Rfree: 0.1023 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.102 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES: REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.1808
2419
5.1 %
RANDOM
Rwork
0.1457
-
-
-
all
0.1476
62500
-
-
obs
0.1476
47643
76.23 %
-
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: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK