############################################################### ############################################################### ############################################################### ### CCP4 6.0: MTZDUMP version 6.0 : 06/09/05## ############################################################### User: wgscott Run date: 13/ 3/2006 Run time: 15:34:13 Please reference: Collaborative Computational Project, Number 4. 1994. "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763. as well as any specific reference in the program write-up.OPENED INPUT MTZ FILE Logical Name: HKLIN Filename: one4_2_E1_001_unique.mtz Spacegroup information obtained from library file: Logical Name: SYMINFO Filename: /sw/share/xtal/ccp4-6.0/lib/data/syminfo.lib * Title: one4_2_E1_001 dataset * Base dataset: 0 HKL_base HKL_base HKL_base * Number of Datasets = 1 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength: 1 Unspecified one4_2_E1 Unspecified 49.8863 69.2098 60.0756 90.0000 111.8269 90.0000 0.91938 * Number of Columns = 19 * Number of Reflections = 9714 * Missing value set to NaN in input mtz file * HISTORY for current MTZ file : From FREERFLAG 13/ 3/2006 15:34:10 with fraction 0.100 data from CAD on 13/ 3/06 * Column Labels : H K L IMEAN SIGIMEAN I(+) SIGI(+) I(-) SIGI(-) F_w1 SIGF_w1 DANO_w1 SIGDANO_w1 F(+) SIGF(+) F(-) SIGF(-) ISYM FreeR_flag * Column Types : H H H J Q K M K M F Q D Q G L G L Y I * Associated datasets : 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above) 49.8863 69.2098 60.0756 90.0000 111.8269 90.0000 * Resolution Range : 0.00032 0.20660 ( 55.728 - 2.200 A ) * Sort Order : 1 2 3 0 0 * Space group = 'C2' (number 5) OVERALL FILE STATISTICS for resolution range 0.000 - 0.207 ======================= Col Sort Min Max Num % Mean Mean Resolution Type Column num order Missing complete abs. Low High label 1 ASC -22 21 0 100.00 -2.9 8.5 55.73 2.20 H H 2 NONE 0 31 0 100.00 11.5 11.5 55.73 2.20 H K 3 NONE 0 27 0 100.00 10.3 10.3 55.73 2.20 H L 4 NONE -2.7 5254.2 89 99.08 86.59 86.60 55.73 2.20 J IMEAN 5 NONE 0.0 226.9 89 99.08 3.35 3.35 55.73 2.20 Q SIGIMEAN 6 NONE -4.4 5313.8 149 98.47 86.31 86.34 55.73 2.20 K I(+) 7 NONE 0.0 316.4 149 98.47 4.76 4.76 55.73 2.20 M SIGI(+) 8 NONE -4.1 5191.0 111 98.86 86.12 86.15 55.73 2.20 K I(-) 9 NONE 0.0 325.5 111 98.86 4.67 4.67 55.73 2.20 M SIGI(-) 10 NONE 0.7 704.5 89 99.08 65.81 65.81 55.73 2.20 F F_w1 11 NONE 0.4 16.2 89 99.08 2.22 2.22 55.73 2.20 Q SIGF_w1 12 NONE -22.3 26.0 171 98.24 -0.05 3.65 55.73 2.20 D DANO_w1 13 NONE 0.0 16.3 171 98.24 4.11 4.11 55.73 2.20 Q SIGDANO_w1 14 NONE 0.7 709.5 149 98.47 65.64 65.64 55.73 2.20 G F(+) 15 NONE 0.5 22.3 149 98.47 3.12 3.12 55.73 2.20 L SIGF(+) 16 NONE 0.8 699.6 111 98.86 65.70 65.70 55.73 2.20 G F(-) 17 NONE 0.5 23.3 111 98.86 3.08 3.08 55.73 2.20 L SIGF(-) 18 NONE 0 2 89 99.08 0.0 0.0 55.73 2.20 Y ISYM 19 NONE 0.0 9.0 0 100.00 4.53 4.53 55.73 2.20 I FreeR_flag No. of reflections used in FILE STATISTICS 9714 LIST OF REFLECTIONS =================== -22 0 4 -0.44 1.50 2.25 2.26 -2.58 2.01 8.38 3.79 0.00 0.00 11.23 6.44 5.53 3.99 0.00 1.00 -22 0 5 1.28 1.66 2.41 2.04 -0.93 2.87 10.14 4.27 0.00 0.00 11.96 6.37 8.31 5.70 0.00 9.00 -22 0 6 6.83 2.25 6.21 3.00 7.63 3.39 21.45 5.66 0.00 0.00 20.20 7.84 22.70 8.17 0.00 8.00 -22 0 7 5.03 2.19 4.75 3.15 5.29 3.04 17.19 5.70 0.00 0.00 16.52 8.10 17.86 8.02 0.00 4.00 -22 0 8 0.17 1.68 0.49 3.03 0.02 2.03 8.85 4.14 0.00 0.00 9.84 6.44 7.87 5.20 0.00 4.00 -22 0 9 1.40 1.65 -1.45 2.95 2.69 1.99 10.37 4.25 0.00 0.00 8.06 5.60 12.69 6.40 0.00 5.00 -22 0 10 -1.71 1.64 -2.82 3.06 -1.27 1.94 6.89 3.44 0.00 0.00 7.37 5.25 6.40 4.45 0.00 9.00 -22 0 11 1.77 2.30 3.80 3.33 -0.10 3.20 11.99 5.11 0.00 0.00 14.50 8.00 9.48 6.34 0.00 2.00 -22 0 12 1.63 1.69 5.24 3.38 0.43 1.96 12.75 4.97 0.00 0.00 17.23 8.40 8.28 5.33 0.00 5.00 -22 0 13 5.35 1.82 3.75 2.13 9.63 3.48 21.24 5.02 0.00 0.00 15.49 6.71 26.99 7.47 0.00 6.00 MTZDUMP: Normal termination of mtzdump Times: User: 0.0s System: 0.0s Elapsed: 0:00