解像度: 2.9→38.4 Å / Cor.coef. Fo:Fc: 0.877 / Cor.coef. Fo:Fc free: 0.843 / WRfactor Rfree: 0.2302 / WRfactor Rwork: 0.203 / Occupancy max: 1 / Occupancy min: 0.06 / FOM work R set: 0.8628 / SU B: 39.125 / SU ML: 0.348 / SU R Cruickshank DPI: 0.4413 / SU Rfree: 0.4805 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R Free: 0.48 / 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 WITH TLS ADDED.
Rfactor
反射数
%反射
Selection details
Rfree
0.257
590
5 %
RANDOM
Rwork
0.2244
-
-
-
obs
0.2261
11801
-
-
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: BABINET MODEL WITH MASK