18 !NTITLE REMARKS FILENAME="/tmp_mnt/asimov2/users/cam/PAsurE_xtal/MAD_Jan2002/CNS/map2f" REMARKS (2 m|Fo| - 1 D|Fc|)e^(i phi_calc) cross-val. sigmaa map r= 0.1856 free_r= 0.2233 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: 42149 ( 100.0 % ) REMARKS number of unobserved reflections (no entry or |F|=0): 1739 ( 4.1 % ) REMARKS number of reflections rejected: 0 ( 0.0 % ) REMARKS total number of reflections used: 40410 ( 95.9 % ) REMARKS number of reflections in working set: 38377 ( 91.1 % ) REMARKS number of reflections in test set: 2033 ( 4.8 % ) REMARKS bulk solvent: density level= 0.392773 e/A^3, B-factor= 60.899 A^2 REMARKS B-correction resolution: 6.0 - 2.0 REMARKS initial B-factor correction applied to fobs : REMARKS B11= -3.75361 B22= -3.75361 B33= 7.50723 REMARKS B12= -3.8622 B13= 0 B23= 0 REMARKS B-factor correction applied to coordinate array B: 0.578 REMARKS DATE:10-Mar-02 19:23:44 created by user: cam REMARKS VERSION:1.1 144 -29 131 144 56 182 216 17 124 0.90500E+02 0.90500E+02 0.12995E+03 0.90000E+02 0.90000E+02 0.12000E+03 ZYX 0 -0.48628E+00-0.16495E+01-0.18599E+01-0.15893E+01-0.14825E+01-0.12471E+01 -0.98446E+00-0.98056E+00-0.73949E+00-0.22831E+00-0.20328E+00-0.42139E+00 -0.16663E+00-0.49371E-01-0.66494E+00-0.12047E+01-0.12102E+01-0.12210E+01 -0.11892E+01-0.80251E+00-0.48164E+00-0.22304E+00 0.44397E+00 0.79538E+00 0.21497E+00 0.25231E+00 0.18556E+01 0.27732E+01 0.13971E+01-0.38794E-01 0.43558E+00 0.11985E+01 0.73972E+00 0.27207E+00 0.52796E+00 0.35747E+00 -0.54697E+00-0.13619E+01-0.18953E+01-0.18941E+01-0.95475E+00-0.30055E+00 -0.90165E+00-0.58459E+00 0.23387E+01 0.50110E+01 0.42385E+01 0.13178E+01 -0.79463E+00-0.12693E+01-0.58211E+00 0.59034E+00 0.14241E+01 0.19454E+01 0.26589E+01 0.28808E+01 0.19879E+01 0.13468E+01 0.20940E+01 0.27798E+01 0.17953E+01-0.11046E-02-0.99724E+00-0.10744E+01-0.88573E+00-0.62945E+00 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