18 !NTITLE REMARKS FILENAME="/tmp_mnt/asimov2/users/cam/MTH649/P21_form_UMP/X8C_Nov01/CNS" REMARKS (2 m|Fo| - 1 D|Fc|)e^(i phi_calc) cross-val. sigmaa map r= 0.2069 free_r= 0.2497 REMARKS reflections with |Fobs|/sigma_F < 0.0 rejected REMARKS reflections with |Fobs| > 10000 * rms(Fobs) rejected REMARKS theoretical total number of refl. in resol. range: 92379 ( 100.0 % ) REMARKS number of unobserved reflections (no entry or |F|=0): 6137 ( 6.6 % ) REMARKS number of reflections rejected: 0 ( 0.0 % ) REMARKS total number of reflections used: 86242 ( 93.4 % ) REMARKS number of reflections in working set: 81878 ( 88.6 % ) REMARKS number of reflections in test set: 4364 ( 4.7 % ) REMARKS bulk solvent: density level= 0.339022 e/A^3, B-factor= 53.9008 A^2 REMARKS B-correction resolution: 6.0 - 1.9 REMARKS initial B-factor correction applied to fobs : REMARKS B11= 3.6072 B22= -5.71365 B33= 2.10645 REMARKS B12= 0 B13= 2.78937 B23= 0 REMARKS B-factor correction applied to coordinate array B: 0.398 REMARKS DATE: 6-May-02 22:54:14 created by user: cam REMARKS VERSION:1.1 108 1 152 180 -59 96 144 29 193 0.65254E+02 0.10996E+03 0.83756E+02 0.90000E+02 0.95813E+02 0.90000E+02 ZYX 0 -0.76820E+00-0.65887E+00-0.69920E+00-0.79507E+00-0.63344E+00-0.34076E+00 -0.18841E+00-0.81630E-01 0.15004E+00 0.47303E+00 0.69935E+00 0.54625E+00 0.94785E-02-0.44852E+00-0.55655E+00-0.56131E+00-0.60543E+00-0.53592E+00 -0.33872E+00-0.98391E-01 0.19686E+00 0.45995E+00 0.52808E+00 0.40319E+00 0.19557E+00 0.40517E-01 0.73392E-01 0.24863E+00 0.37762E+00 0.34658E+00 0.66905E-01-0.42676E+00-0.72723E+00-0.51441E+00-0.11108E+00 0.18907E-01 -0.99036E-01-0.20677E+00-0.19566E+00-0.16049E+00-0.34347E+00-0.77790E+00 -0.10966E+01-0.10268E+01-0.60701E+00 0.88296E-01 0.64522E+00 0.27483E+00 -0.94588E+00-0.17684E+01-0.14849E+01-0.72719E+00-0.24883E+00-0.19762E+00 -0.47378E+00-0.68547E+00-0.99458E-01 0.14987E+01 0.30987E+01 0.31977E+01 0.14887E+01-0.50146E+00-0.11239E+01-0.57680E+00-0.15379E+00-0.17680E+00 0.53531E-01 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