#CCP4I VERSION CCP4Interface 1.4.4.2
#CCP4I SCRIPT LOG map_correl
#CCP4I DATE 07 Dec 2006  10:47:59
#CCP4I USER phzwart
#CCP4I PROJECT betty
#CCP4I JOB_ID 18
#CCP4I SCRATCH /tmp/phzwart
#CCP4I HOSTNAME rosie.lbl.gov
#CCP4I PID 32270

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 ###############################################################
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 ### CCP4 6.0: FFTBIG             version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:47:59 


 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.

<!--SUMMARY_END--></FONT></B>
 Data line--- title Map Correlation map 1
 Data line--- labin F1=FP SIG1=SIGFP PHI=PHIM W=FOMM
 Data line--- end

 OPENED INPUT MTZ FILE 
 Logical Name: HKLIN   Filename: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/master_out_15.mtz 

 * Title:

 Resolve mtz file.

 * Base dataset:

        0 HKL_base
          HKL_base
          HKL_base

 * Number of Datasets = 1

 * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:

        1 project
          crystal
          dataset
             55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
             1.00000

 * Number of Columns = 13

 * Number of Reflections = 24975

 * Missing value set to NaN in input mtz file

 * HISTORY for current MTZ file :

 From resol,  6/12/06 22:51:31                                                   

 * Column Labels :

 H K L FP SIGFP PHIM FOMM HLAM HLBM HLCM HLDM FreeR_flag FC

 * Column Types :

 H H H F Q P W A A A A I F

 * Associated datasets :

 0 0 0 1 1 1 1 1 1 1 1 1 1

 * Cell Dimensions : (obsolete - refer to dataset cell dimensions above)

   55.0300   73.1600   92.4900   90.0000  102.4800   90.0000 

 *  Resolution Range :

    0.00012    0.15999     (     91.287 -      2.500 A )

 * Sort Order :

      0     0     0     0     0

 * Space group = 'P21' (number     4)

 Map cell is set to:   55.03   73.16   92.49   90.00  102.48   90.00

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

  FREE column NOT assigned


 Coefficients used for Fourier calculation:-
 *******************************************


 Fourier synthesis: W * ( k1 * F1) exp( i PHI)

    F1   =  FP  checked by SIG1 = SIGFP
    PHI  =  PHIM                          
    W    =  FOMM                          



 Resolution limits:     91.29     2.50
 Scale & B for F1 :    1.00000  0.00000

 *  F used = Scale * exp(- B * (sin theta/lambda)**2);  ** Scale and B applied to F BEFORE squaring for Patterson  **


 *** No reflections excluded ***




 Number of symmetry operations = 2 Space-group for FFT =   1  True space-group =   4 List terms gt     0

 Axis order in map: fast=Z,  medium= X,  slow(section)= Y


 ** The limits of the map have been set to those of
 the unit cell:

    Min X   Max X   Min Y   Max Y   Min Z   Max Z
    0.000   1.000   0.000   1.000   0.000   1.000

 (expressed in fractional coordinates and with x,y,z
  referring to the unpermutated axes.)


 Permutation of axes: (program=input)  x= X,  y= Y,  z= Z

 Before permutation :
           Maximum indices hkl ...................   22   29   37
           Sampling intervals on xyz .............   68   88  112
           Map limits in grid points on xyz ......    0   67       0   87       0  111

 Binary map will be written to stream   1

 Data is assumed to be unsorted
 After permutation :
           Maximum indices hkl ...................   22   29   37
           Sampling intervals on xyz .............   68   88  112
           Map limits in grid points on xyz ......    0   67       0   87       0  111






                              Fourier synthesis for space-group P1

  Buffer size =      682176



  ****  Largest F Value *** Reflection   0  2  0        7128.71

                                         Mean F          307.89

      49950 Structure factors used out of 24975 on the input file

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_4_tmp_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_18_4_tmp_map.tmp
logical name MAPOUT

 F000 =    0.000E+00          V =    3.636E+05

 Section axis is Y

 Binary output has Z running fastest, X next
  Section Y =   0 minimum rho =        -0.8563 at X =  26 Z =  31 maximum rho =         4.4281 at X =  17 Z =  57
  Section Y =   1 minimum rho =        -0.8989 at X =  14 Z =  22 maximum rho =         3.1840 at X =  17 Z =  57
  Section Y =   2 minimum rho =        -0.8983 at X =  36 Z =   0 maximum rho =         2.3749 at X =  38 Z =  71
  Section Y =   3 minimum rho =        -0.8541 at X =  18 Z = 105 maximum rho =         2.1280 at X =  24 Z =  39
  Section Y =   4 minimum rho =        -0.8660 at X =   8 Z =  37 maximum rho =         2.3570 at X =   3 Z =  33
  Section Y =   5 minimum rho =        -0.7605 at X =  24 Z =  58 maximum rho =         1.8198 at X =   2 Z =  60
  Section Y =   6 minimum rho =        -0.9022 at X =  59 Z =  51 maximum rho =         1.9634 at X =  24 Z =  74
  Section Y =   7 minimum rho =        -0.9828 at X =  31 Z =   9 maximum rho =         3.2822 at X =  66 Z =   6
  Section Y =   8 minimum rho =        -1.0722 at X =   0 Z =   5 maximum rho =         3.7282 at X =  66 Z =   6
  Section Y =   9 minimum rho =        -0.9969 at X =  66 Z =   9 maximum rho =         2.3898 at X =  67 Z =   7
  Section Y =  10 minimum rho =        -1.2752 at X =  65 Z =   8 maximum rho =         3.2210 at X =  37 Z =  53
  Section Y =  11 minimum rho =        -0.9035 at X =  35 Z =  55 maximum rho =         3.9732 at X =  37 Z =  53
  Section Y =  12 minimum rho =        -0.9679 at X =  27 Z =  59 maximum rho =         2.4230 at X =  37 Z =  53
  Section Y =  13 minimum rho =        -0.8746 at X =  38 Z =  51 maximum rho =         1.8183 at X =   8 Z =  53
  Section Y =  14 minimum rho =        -0.9604 at X =  37 Z =  47 maximum rho =         1.8521 at X =  23 Z =  74
  Section Y =  15 minimum rho =        -0.8840 at X =  63 Z =  31 maximum rho =         1.7065 at X =   6 Z =  34
  Section Y =  16 minimum rho =        -0.8092 at X =  41 Z =  76 maximum rho =         1.8107 at X =   4 Z =  30
  Section Y =  17 minimum rho =        -0.8569 at X =  25 Z =  56 maximum rho =         1.5078 at X =  39 Z =  68
  Section Y =  18 minimum rho =        -0.9396 at X =  32 Z =  79 maximum rho =         1.7498 at X =  24 Z =  71
  Section Y =  19 minimum rho =        -0.7266 at X =  18 Z = 100 maximum rho =         1.5280 at X =  50 Z =   3
  Section Y =  20 minimum rho =        -0.8838 at X =  22 Z =  57 maximum rho =         1.7918 at X =  23 Z =  60
  Section Y =  21 minimum rho =        -0.8193 at X =  44 Z =  72 maximum rho =         1.5870 at X =  35 Z =  73
  Section Y =  22 minimum rho =        -0.8790 at X =  16 Z =  72 maximum rho =         1.4908 at X =  63 Z =  16
  Section Y =  23 minimum rho =        -0.7957 at X =  36 Z =  72 maximum rho =         1.9558 at X =  11 Z =  65
  Section Y =  24 minimum rho =        -0.8073 at X =  16 Z =  69 maximum rho =         1.7423 at X =  11 Z =  65
  Section Y =  25 minimum rho =        -0.9562 at X =  54 Z = 106 maximum rho =         1.5206 at X =  15 Z =  71
  Section Y =  26 minimum rho =        -0.7556 at X =   7 Z =  55 maximum rho =         1.5452 at X =  49 Z =  49
  Section Y =  27 minimum rho =        -0.9676 at X =  14 Z =  78 maximum rho =         1.7319 at X =  20 Z =  87
  Section Y =  28 minimum rho =        -0.7805 at X =  42 Z =   2 maximum rho =         1.6222 at X =  42 Z =  10
  Section Y =  29 minimum rho =        -0.8102 at X =  41 Z =  37 maximum rho =         1.8923 at X =  41 Z =  40
  Section Y =  30 minimum rho =        -0.8610 at X =   7 Z =  86 maximum rho =         1.6974 at X =  47 Z = 104
  Section Y =  31 minimum rho =        -0.8926 at X =   0 Z =  15 maximum rho =         2.1988 at X =  47 Z = 104
  Section Y =  32 minimum rho =        -0.7942 at X =  44 Z =  30 maximum rho =         1.8089 at X =  32 Z =  43
  Section Y =  33 minimum rho =        -0.8985 at X =  44 Z = 109 maximum rho =         2.3166 at X =  53 Z =  85
  Section Y =  34 minimum rho =        -0.8417 at X =  65 Z =  67 maximum rho =         1.8094 at X =  46 Z =  91
  Section Y =  35 minimum rho =        -0.9299 at X =  47 Z =  33 maximum rho =         2.0187 at X =  55 Z =  72
  Section Y =  36 minimum rho =        -0.9392 at X =   6 Z =  66 maximum rho =         2.1364 at X =  45 Z =  65
  Section Y =  37 minimum rho =        -0.8720 at X =   0 Z =  49 maximum rho =         2.1418 at X =  62 Z =  23
  Section Y =  38 minimum rho =        -0.9125 at X =   2 Z =   9 maximum rho =         1.9483 at X =  58 Z =  83
  Section Y =  39 minimum rho =        -0.8369 at X =  35 Z =  84 maximum rho =         2.1392 at X =  49 Z = 109
  Section Y =  40 minimum rho =        -0.9409 at X =   5 Z =  13 maximum rho =         4.2227 at X =  50 Z = 109
  Section Y =  41 minimum rho =        -0.9186 at X =   9 Z =  87 maximum rho =         4.3305 at X =  50 Z = 109
  Section Y =  42 minimum rho =        -0.8883 at X =  47 Z = 109 maximum rho =         2.4432 at X =  50 Z = 109
  Section Y =  43 minimum rho =        -0.8751 at X =  62 Z =  90 maximum rho =         3.2494 at X =  51 Z =  55
  Section Y =  44 minimum rho =        -0.8563 at X =  42 Z =  81 maximum rho =         4.4281 at X =  51 Z =  55
  Section Y =  45 minimum rho =        -0.8989 at X =  54 Z =  90 maximum rho =         3.1840 at X =  51 Z =  55
  Section Y =  46 minimum rho =        -0.8983 at X =  32 Z =   0 maximum rho =         2.3749 at X =  30 Z =  41
  Section Y =  47 minimum rho =        -0.8541 at X =  50 Z =   7 maximum rho =         2.1280 at X =  44 Z =  73
  Section Y =  48 minimum rho =        -0.8660 at X =  60 Z =  75 maximum rho =         2.3570 at X =  65 Z =  79
  Section Y =  49 minimum rho =        -0.7605 at X =  44 Z =  54 maximum rho =         1.8198 at X =  66 Z =  52
  Section Y =  50 minimum rho =        -0.9022 at X =   9 Z =  61 maximum rho =         1.9634 at X =  44 Z =  38
  Section Y =  51 minimum rho =        -0.9828 at X =  37 Z = 103 maximum rho =         3.2822 at X =   2 Z = 106
  Section Y =  52 minimum rho =        -1.0722 at X =   0 Z = 107 maximum rho =         3.7282 at X =   2 Z = 106
  Section Y =  53 minimum rho =        -0.9969 at X =   2 Z = 103 maximum rho =         2.3898 at X =   1 Z = 105
  Section Y =  54 minimum rho =        -1.2752 at X =   3 Z = 104 maximum rho =         3.2210 at X =  31 Z =  59
  Section Y =  55 minimum rho =        -0.9034 at X =  33 Z =  57 maximum rho =         3.9732 at X =  31 Z =  59
  Section Y =  56 minimum rho =        -0.9679 at X =  41 Z =  53 maximum rho =         2.4230 at X =  31 Z =  59
  Section Y =  57 minimum rho =        -0.8746 at X =  30 Z =  61 maximum rho =         1.8183 at X =  60 Z =  59
  Section Y =  58 minimum rho =        -0.9604 at X =  31 Z =  65 maximum rho =         1.8521 at X =  45 Z =  38
  Section Y =  59 minimum rho =        -0.8840 at X =   5 Z =  81 maximum rho =         1.7065 at X =  62 Z =  78
  Section Y =  60 minimum rho =        -0.8092 at X =  27 Z =  36 maximum rho =         1.8107 at X =  64 Z =  82
  Section Y =  61 minimum rho =        -0.8569 at X =  43 Z =  56 maximum rho =         1.5078 at X =  29 Z =  44
  Section Y =  62 minimum rho =        -0.9396 at X =  36 Z =  33 maximum rho =         1.7498 at X =  44 Z =  41
  Section Y =  63 minimum rho =        -0.7266 at X =  50 Z =  12 maximum rho =         1.5280 at X =  18 Z = 109
  Section Y =  64 minimum rho =        -0.8838 at X =  46 Z =  55 maximum rho =         1.7918 at X =  45 Z =  52
  Section Y =  65 minimum rho =        -0.8193 at X =  24 Z =  40 maximum rho =         1.5870 at X =  33 Z =  39
  Section Y =  66 minimum rho =        -0.8790 at X =  52 Z =  40 maximum rho =         1.4908 at X =   5 Z =  96
  Section Y =  67 minimum rho =        -0.7957 at X =  32 Z =  40 maximum rho =         1.9558 at X =  57 Z =  47
  Section Y =  68 minimum rho =        -0.8073 at X =  52 Z =  43 maximum rho =         1.7423 at X =  57 Z =  47
  Section Y =  69 minimum rho =        -0.9562 at X =  14 Z =   6 maximum rho =         1.5206 at X =  53 Z =  41
  Section Y =  70 minimum rho =        -0.7556 at X =  61 Z =  57 maximum rho =         1.5452 at X =  19 Z =  63
  Section Y =  71 minimum rho =        -0.9676 at X =  54 Z =  34 maximum rho =         1.7319 at X =  48 Z =  25
  Section Y =  72 minimum rho =        -0.7805 at X =  26 Z = 110 maximum rho =         1.6222 at X =  26 Z = 102
  Section Y =  73 minimum rho =        -0.8102 at X =  27 Z =  75 maximum rho =         1.8923 at X =  27 Z =  72
  Section Y =  74 minimum rho =        -0.8610 at X =  61 Z =  26 maximum rho =         1.6974 at X =  21 Z =   8
  Section Y =  75 minimum rho =        -0.8926 at X =   0 Z =  97 maximum rho =         2.1988 at X =  21 Z =   8
  Section Y =  76 minimum rho =        -0.7942 at X =  24 Z =  82 maximum rho =         1.8089 at X =  36 Z =  69
  Section Y =  77 minimum rho =        -0.8985 at X =  24 Z =   3 maximum rho =         2.3166 at X =  15 Z =  27
  Section Y =  78 minimum rho =        -0.8417 at X =   3 Z =  45 maximum rho =         1.8094 at X =  22 Z =  21
  Section Y =  79 minimum rho =        -0.9299 at X =  21 Z =  79 maximum rho =         2.0187 at X =  13 Z =  40
  Section Y =  80 minimum rho =        -0.9392 at X =  62 Z =  46 maximum rho =         2.1364 at X =  23 Z =  47
  Section Y =  81 minimum rho =        -0.8720 at X =   0 Z =  63 maximum rho =         2.1418 at X =   6 Z =  89
  Section Y =  82 minimum rho =        -0.9125 at X =  66 Z = 103 maximum rho =         1.9483 at X =  10 Z =  29
  Section Y =  83 minimum rho =        -0.8369 at X =  33 Z =  28 maximum rho =         2.1392 at X =  19 Z =   3
  Section Y =  84 minimum rho =        -0.9409 at X =  63 Z =  99 maximum rho =         4.2227 at X =  18 Z =   3
  Section Y =  85 minimum rho =        -0.9186 at X =  59 Z =  25 maximum rho =         4.3305 at X =  18 Z =   3
  Section Y =  86 minimum rho =        -0.8883 at X =  21 Z =   3 maximum rho =         2.4432 at X =  18 Z =   3
  Section Y =  87 minimum rho =        -0.8751 at X =   6 Z =  22 maximum rho =         3.2494 at X =  17 Z =  57


 Overall maximum rho =          4.4281 on section Y =  44 at X =  51 Z =  55


 Overall minimum rho =         -1.2752 on section Y =  10 at X =  65 Z =   8

  Average density on this map is          0.00000003

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_4_tmp_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_18_4_tmp_map.tmp
file size 2682016 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................    -1.27522
           Maximum density .................................     4.42812
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.33506
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  Map Correlation map 1


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 FFTBIG:  Normal termination
Times: User:       0.2s System:    0.0s Elapsed:     0:00  
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 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: SFALL              version 6.0       : 23/10/06##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:47:59 


 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.

<!--SUMMARY_END--></FONT></B>

 Memory allocation (logical name, type, elements):
   MEMSIZE R      5000000
   MEMSIZE I      5000000

FORMATTED      OLD     file opened on unit  45
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: ATOMSF, Filename: /net/rosie/scratch1/phzwart/ccp4/ccp4-6.0.2/lib/data/atomsf.lib
<!--SUMMARY_END--></FONT></B>

 Data line--- title [No title given]
 Data line--- MODE ATMMAP
 Data line--- grid 68 88 112
 Data line--- symmetry P21

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

Reciprocal space symmetry: 
Space group: "P 1 21 1" Point group: "PG2" Laue group: "2/m" 
Reference asymmetric unit: "k>=0 and (l>0 or (l=0 and h>=0))" 
  (change of basis may be applied) 

 Spacegroup 4 "P 1 21 1" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -h,+k,-l    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +h,-k,+l    
 Data line--- badd 0.0
 Data line--- vdwr 2.5
 Data line--- end
 ***  Calculation symmetry using space-group CalcSpaceGroup    4 ***

  Logical name: XYZIN  File name: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/pdb1ee2.ent
  PDB file is being opened on unit 1 for INPUT.

  MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE


             RF                                  RO

    0.018  -0.000   0.004   0.000       55.030   0.000 -19.987  -0.000
   -0.000   0.014  -0.000  -0.000        0.000  73.160   0.000   0.000
    0.000  -0.000   0.011  -0.000        0.000   0.000  90.305  -0.000
   -0.000   0.000  -0.000   1.000       -0.000   0.000  -0.000   1.000




 Form factors used are   
 AtomName - formfac number -  (AI BI),I=1,NGauss - sum(AI)
  Default value is 5 term gaussian
  H       1     0.49300  10.51090     0.32291  26.12570
                0.14019   3.14236     0.04081  57.79970     0.00304   0.00000     0.99995
  C       2     2.31000  20.84390     1.02000  10.20750
                1.58860   0.56870     0.86500  51.65120     0.21560   0.00000     5.99920
  N       3    12.21260   0.00570     3.13220   9.89330
                2.01250  28.99750     1.16630   0.58260   -11.52900   0.00000     6.99460
  O       4     3.04850  13.27710     2.28680   5.70110
                1.54630   0.32390     0.86700  32.90890     0.25080   0.00000     7.99940
  S       5     6.90530   1.46790     5.20340  22.21510
                1.43790   0.25360     1.58630  56.17200     0.86690   0.00000    15.99980

 Title: [No title given]

  Program outputs an Electron density map   
  Generated from Atomic Co-ordinates  -


 Chain Names - First Residue - Last Residue - serial Kcount

    INPUT X USED AS  X
    INPUT Y USED AS  Z
    INPUT Z USED AS  Y
  Title 
    [No title given]

 Unit CELL Parameters are =    55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
 Space Group Number       =     4

 Sampling Intervals NX,NY,NZ are    68   88  112


 Map dimensions are  X =     0 to    67 Y =     0 to    43 Z =     0 to   111


 BADD =   0.00


 Initial Value of Atom radius in "fc" MAP       2.50
 This is modified by a factor Sqrt(B+25)/2PI to "spread"  the density for atoms with high B factors

 Breset is -1.00

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_7_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_18_7_map.tmp
logical name MAPOUT


 Limits for atoms:     AXIS    MIN      MAX
                         1    0.000    1.000
                         2    0.000    1.000
                         3   -0.034    0.523
 
 

 Upper limits are:     AXIS    MIN      MAX
                         1    0.045    0.955
                         2    0.034    0.466
                         3    0.027    0.454
 
 


  First 10 atoms of atsort - orthog coordinates
         3C    SER         1 13.8130 10.1750 74.8630 1.00   32.11    2
   fractional coordinates  0.55210 0.13908 0.82901


  First 10 atoms of atsort - orthog coordinates
         4O    SER         1 13.9860  9.2760 75.6860 1.00   30.15    4
   fractional coordinates  0.55856 0.12679 0.83812
         7N    THR         2 13.2890  9.7660 73.6840 1.00   23.25    3
   fractional coordinates  0.53784 0.13349 0.81595
         8CA   THR         2 13.8790  8.5740 73.0480 1.00   21.86    2
   fractional coordinates  0.54600 0.11720 0.80891
         9C    THR         2 15.0940  8.8060 72.1780 1.00   17.79    2
   fractional coordinates  0.56458 0.12037 0.79927
        10O    THR         2 15.7160  7.8200 71.7390 1.00   15.97    4
   fractional coordinates  0.57412 0.10689 0.79441
        11CB   THR         2 12.7880  7.9520 72.1590 1.00   19.24    2
   fractional coordinates  0.52260 0.10869 0.79906
        12OG1  THR         2 12.2760  8.9750 71.3030 1.00   21.29    4
   fractional coordinates  0.50986 0.12268 0.78958
        13CG2  THR         2 11.6510  7.4700 73.0670 1.00   20.97    2
   fractional coordinates  0.50559 0.10210 0.80912
        14N    ALA         3 15.4230 10.0480 71.8660 1.00   19.33    3
   fractional coordinates  0.56931 0.13734 0.79582
        15CA   ALA         3 16.5650 10.3160 71.0110 1.00   16.60    2
   fractional coordinates  0.58662 0.14101 0.78635

   6th Form factor added:   
 AtomName - formfac number  -  (AI BI),I=1,5  -  sum(AI) 
  ZN                6    14.07430   3.26550     7.03180   0.23330
                          5.16250  10.31630     2.41000  58.70970     1.30410   0.00000    29.98270


   7th Form factor added:   
 AtomName - formfac number  -  (AI BI),I=1,5  -  sum(AI) 
  P                 7     6.43450   1.90670     4.17910  27.15700
                          1.78000   0.52600     1.49080  68.16450     1.11490   0.00000    14.99930

  First 10 atoms of sorted file in asym unit -  
       10.50559   0.80912   0.10210    920.97 1.00         2    2CG2  THR 
       10.57412   0.79441   0.10689    615.97 1.00         4    2O    THR 
       10.52260   0.79906   0.10869    719.24 1.00         2    2CB   THR 
       10.54600   0.80891   0.11720    421.86 1.00         2    2CA   THR 
       10.56458   0.79927   0.12037    517.79 1.00         2    2C    THR 
       10.50986   0.78958   0.12268    821.29 1.00         4    2OG1  THR 
       10.55856   0.83812   0.12679    230.15 1.00         4    1O    SER 
       10.53784   0.81595   0.13349    323.25 1.00         3    2N    THR 
       10.56931   0.79582   0.13734   1019.33 1.00         3    3N    ALA 
       10.55210   0.82901   0.13908    132.11 1.00         2    1C    SER 

  First atom of sorted file in atsort 
       10.44060  10.98804  -0.03416 571810.94     51.00  368CA   ARG 
 Number of atoms input            =          6932
 Number of atoms in sort          =        7883
 Number in density generation     =   7883
 Number completely within fft box =   5981
     Minimum B =     3.16
     Maximum B =    69.68
     Average B =    16.85
     Number of Bs < BfactReset =        0
     Number of Bs > 99.99  =        0
 SECTION =  1   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1739E+02
 SECTION =  2   MIN AND MAX  DENSITY ARE   0.0000E+00  0.6150E+01
 SECTION =  3   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7794E+01
 SECTION =  4   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5320E+01
 SECTION =  5   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5438E+01
 SECTION =  6   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5172E+01
 SECTION =  7   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7406E+01
 SECTION =  8   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1121E+02
 SECTION =  9   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1144E+02
 SECTION = 10   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8868E+01
 SECTION = 11   MIN AND MAX  DENSITY ARE   0.0000E+00  0.9476E+01
 SECTION = 12   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1252E+02
 SECTION = 13   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8756E+01
 SECTION = 14   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7999E+01
 SECTION = 15   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5141E+01
 SECTION = 16   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5340E+01
 SECTION = 17   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5263E+01
 SECTION = 18   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4117E+01
 SECTION = 19   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4066E+01
 SECTION = 20   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3954E+01
 SECTION = 21   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4069E+01
 SECTION = 22   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4681E+01
 SECTION = 23   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4086E+01
 SECTION = 24   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5329E+01
 SECTION = 25   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3224E+01
 SECTION = 26   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3627E+01
 SECTION = 27   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3843E+01
 SECTION = 28   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4313E+01
 SECTION = 29   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3589E+01
 SECTION = 30   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4060E+01
 SECTION = 31   MIN AND MAX  DENSITY ARE   0.0000E+00  0.3863E+01
 SECTION = 32   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5104E+01
 SECTION = 33   MIN AND MAX  DENSITY ARE   0.0000E+00  0.6552E+01
 SECTION = 34   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7883E+01
 SECTION = 35   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4458E+01
 SECTION = 36   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7217E+01
 SECTION = 37   MIN AND MAX  DENSITY ARE   0.0000E+00  0.5367E+01
 SECTION = 38   MIN AND MAX  DENSITY ARE   0.0000E+00  0.4588E+01
 SECTION = 39   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8100E+01
 SECTION = 40   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8818E+01
 SECTION = 41   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1215E+02
 SECTION = 42   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1214E+02
 SECTION = 43   MIN AND MAX  DENSITY ARE   0.0000E+00  0.8665E+01
 SECTION = 44   MIN AND MAX  DENSITY ARE   0.0000E+00  0.7629E+01
 SUM OF DENSITY UP TO  THIS BLOCK IS     0.8464E+05

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_7_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_18_7_map.tmp
file size 1341600 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    17.39320
           Mean density ....................................     0.25258
           Rms deviation from mean density .................     0.48739
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 SFALL:   Normal Termination of fc map output
Times: User:       0.2s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: mapmask            version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:47:59 


 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.

<!--SUMMARY_END--></FONT></B>
 Data line--- XYZLIM 0 67 0 87 0 111
 Data line--- AXIS Z X Y
 Comment line--- ## This script run with the command   ##########
 Comment line--- # mapmask MAPIN "/tmp/phzwart/betty_18_7_map.tmp" MAPOUT "/tmp/phzwart/betty_18_8_map.tmp"
 Comment line--- ################################################

 Logical Name: MAPIN   Filename: /tmp/phzwart/betty_18_7_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_18_7_map.tmp
file size 1341600 ; logical name MAPIN



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    17.39320
           Mean density ....................................     0.25258
           Rms deviation from mean density .................     0.48739
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


 Unit cell volume:  363565.8
 Orthogonalisation matrices:
   55.030   0.000 -19.987           0.018   0.000   0.004
    0.000  73.160   0.000           0.000   0.014   0.000
    0.000   0.000  90.305           0.000   0.000   0.011
 Real space metric tensor:      
    3028.3   5352.4   8554.4      0.0  -2199.8      0.0
 Reciprocal space metric tensor:
  0.000346 0.000187 0.000123 0.000000 0.000089 0.000000

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 INPUT  MASK EXTENT
         0 :   67         0 :   43         0 :  111
 OUTPUT MASK EXTENT
         0 :   67         0 :   87         0 :  111


 MAP/MASK READ SUCCESSFUL



 EXTEND XTAL  mode
 Spacegroup symmetry and cell repeat will be used to expand
 the map.



 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_8_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_18_8_map.tmp
logical name MAPOUT

    Cell ..........  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
    Space group ...  4
    Number of columns, rows, sections ........  112   68   88
    Start and stop points on cols, rows, secs.    0: 111    0:  67    0:  87
    Fast, medium, slow axes ..................    Z    X    Y
    Grid sampling on x, y, z .................   68   88  112
    Start and stop points on x, y, z .........    0:  67    0:  87    0: 111

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 mapmask:   (mapmask) - normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:01  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: SFALL              version 6.0       : 23/10/06##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:48:00 


 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.

<!--SUMMARY_END--></FONT></B>

 Memory allocation (logical name, type, elements):
   MEMSIZE R      5000000
   MEMSIZE I      5000000

FORMATTED      OLD     file opened on unit  45
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: ATOMSF, Filename: /net/rosie/scratch1/phzwart/ccp4/ccp4-6.0.2/lib/data/atomsf.lib
<!--SUMMARY_END--></FONT></B>

 Data line--- title [No title given]
 Data line--- MODE ATMMAP     RESMOD
 Data line--- grid 68 88 112
 Data line--- symmetry P21

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib

Reciprocal space symmetry: 
Space group: "P 1 21 1" Point group: "PG2" Laue group: "2/m" 
Reference asymmetric unit: "k>=0 and (l>0 or (l=0 and h>=0))" 
  (change of basis may be applied) 

 Spacegroup 4 "P 1 21 1" 
 Original indices for reflection hkl with symmetry number ISYM 

                              Bijvoet positive 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   1  +h,+k,+l       3  -h,+k,-l    

                              Bijvoet negative 
       ISYM              ISYM              ISYM              ISYM              
  ISYM   2  -h,-k,-l       4  +h,-k,+l    
 Data line--- chain A 1 373
 Data line--- chain B 1 373
 Data line--- badd 0.0
 Data line--- vdwr 2.5
 Data line--- end
  resolution limits cannot be got from map/brk files
  Using current Smin/Smax of   0.0500000007  1.
 ***  Calculation symmetry using space-group CalcSpaceGroup    4 ***

  Logical name: XYZIN  File name: /net/cci-filer1/vol1/home/phzwart/Tom/denmod_for_twin_data/test/pdb1ee2.ent
  PDB file is being opened on unit 1 for INPUT.

  MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE


             RF                                  RO

    0.018  -0.000   0.004   0.000       55.030   0.000 -19.987  -0.000
   -0.000   0.014  -0.000  -0.000        0.000  73.160   0.000   0.000
    0.000  -0.000   0.011  -0.000        0.000   0.000  90.305  -0.000
   -0.000   0.000  -0.000   1.000       -0.000   0.000  -0.000   1.000




 Form factors used are   
 AtomName - formfac number -  (AI BI),I=1,NGauss - sum(AI)
  Default value is 5 term gaussian
  H       1     0.49300  10.51090     0.32291  26.12570
                0.14019   3.14236     0.04081  57.79970     0.00304   0.00000     0.99995
  C       2     2.31000  20.84390     1.02000  10.20750
                1.58860   0.56870     0.86500  51.65120     0.21560   0.00000     5.99920
  N       3    12.21260   0.00570     3.13220   9.89330
                2.01250  28.99750     1.16630   0.58260   -11.52900   0.00000     6.99460
  O       4     3.04850  13.27710     2.28680   5.70110
                1.54630   0.32390     0.86700  32.90890     0.25080   0.00000     7.99940
  S       5     6.90530   1.46790     5.20340  22.21510
                1.43790   0.25360     1.58630  56.17200     0.86690   0.00000    15.99980

 Title: [No title given]

  Program outputs an Electron density map   
  Generated from Atomic Co-ordinates  -
  Electron density map Generated   from Atomic CORDINATES with 100*ires+1000000*mchflg
  *** only useful for correlation by residue no.**


 Chain Names - First Residue - Last Residue - serial Kcount
        A            1          373             0
        B            1          373           373

    INPUT X USED AS  X
    INPUT Y USED AS  Z
    INPUT Z USED AS  Y
  Title 
    [No title given]

 Unit CELL Parameters are =    55.0300   73.1600   92.4900   90.0000  102.4800   90.0000
 Space Group Number       =     4

 Sampling Intervals NX,NY,NZ are    68   88  112


 Map dimensions are  X =     0 to    67 Y =     0 to    43 Z =     0 to   111


 BADD =   0.00


 Initial Value of Atom radius in "fc" MAP       2.50
 This is modified by a factor Sqrt(B+25)/2PI to "spread"  the density for atoms with high B factors

 Breset is -1.00

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_11_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_18_11_map.tmp
logical name MAPOUT


 Limits for atoms:     AXIS    MIN      MAX
                         1    0.000    1.000
                         2    0.000    1.000
                         3   -0.034    0.523
 
 

 Upper limits are:     AXIS    MIN      MAX
                         1    0.045    0.955
                         2    0.034    0.466
                         3    0.027    0.454
 
 


  First 10 atoms of atsort - orthog coordinates
         3C    SER         1 13.8130 10.1750 74.8630 1.00   32.11    2
   fractional coordinates  0.55210 0.13908 0.82901


  First 10 atoms of atsort - orthog coordinates
         4O    SER         1 13.9860  9.2760 75.6860 1.00   30.15    4
   fractional coordinates  0.55856 0.12679 0.83812
         7N    THR         2 13.2890  9.7660 73.6840 1.00   23.25    3
   fractional coordinates  0.53784 0.13349 0.81595
         8CA   THR         2 13.8790  8.5740 73.0480 1.00   21.86    2
   fractional coordinates  0.54600 0.11720 0.80891
         9C    THR         2 15.0940  8.8060 72.1780 1.00   17.79    2
   fractional coordinates  0.56458 0.12037 0.79927
        10O    THR         2 15.7160  7.8200 71.7390 1.00   15.97    4
   fractional coordinates  0.57412 0.10689 0.79441
        11CB   THR         2 12.7880  7.9520 72.1590 1.00   19.24    2
   fractional coordinates  0.52260 0.10869 0.79906
        12OG1  THR         2 12.2760  8.9750 71.3030 1.00   21.29    4
   fractional coordinates  0.50986 0.12268 0.78958
        13CG2  THR         2 11.6510  7.4700 73.0670 1.00   20.97    2
   fractional coordinates  0.50559 0.10210 0.80912
        14N    ALA         3 15.4230 10.0480 71.8660 1.00   19.33    3
   fractional coordinates  0.56931 0.13734 0.79582
        15CA   ALA         3 16.5650 10.3160 71.0110 1.00   16.60    2
   fractional coordinates  0.58662 0.14101 0.78635

   6th Form factor added:   
 AtomName - formfac number  -  (AI BI),I=1,5  -  sum(AI) 
  ZN                6    14.07430   3.26550     7.03180   0.23330
                          5.16250  10.31630     2.41000  58.70970     1.30410   0.00000    29.98270


   7th Form factor added:   
 AtomName - formfac number  -  (AI BI),I=1,5  -  sum(AI) 
  P                 7     6.43450   1.90670     4.17910  27.15700
                          1.78000   0.52600     1.49080  68.16450     1.11490   0.00000    14.99930

  First 10 atoms of sorted file in asym unit -  
       10.50559   0.80912   0.10210    920.97 1.00         2    2CG2  THR 
       10.57412   0.79441   0.10689    615.97 1.00         4    2O    THR 
       10.52260   0.79906   0.10869    719.24 1.00         2    2CB   THR 
       10.54600   0.80891   0.11720    421.86 1.00         2    2CA   THR 
       10.56458   0.79927   0.12037    517.79 1.00         2    2C    THR 
       10.50986   0.78958   0.12268    821.29 1.00         4    2OG1  THR 
       10.55856   0.83812   0.12679    230.15 1.00         4    1O    SER 
       10.53784   0.81595   0.13349    323.25 1.00         3    2N    THR 
       10.56931   0.79582   0.13734   1019.33 1.00         3    3N    ALA 
       10.55210   0.82901   0.13908    132.11 1.00         2    1C    SER 

  First atom of sorted file in atsort 
       10.44060  10.98804  -0.03416 571810.94     51.00  741CA   ARG 
 Number of atoms input            =          6932
 Number of atoms in sort          =        7883
 Number in density generation     =   7883
 Number completely within fft box =   5981
     Minimum B =     3.16
     Maximum B =    69.68
     Average B =    16.85
     Number of Bs < BfactReset =        0
     Number of Bs > 99.99  =        0
 SECTION =  1   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  2   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  3   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  4   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  5   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1100E+07
 SECTION =  6   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1100E+07
 SECTION =  7   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  8   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION =  9   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 10   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 11   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 12   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 13   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 14   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 15   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 16   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 17   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 18   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 19   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 20   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 21   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 22   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 23   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 24   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 25   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 26   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 27   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 28   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 29   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 30   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 31   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 32   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 33   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 34   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 35   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 36   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 37   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 38   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 39   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1099E+07
 SECTION = 40   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 41   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 42   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 43   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SECTION = 44   MIN AND MAX  DENSITY ARE   0.0000E+00  0.1101E+07
 SUM OF DENSITY UP TO  THIS BLOCK IS     0.1616E+12

 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_11_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_18_11_map.tmp
file size 1341600 ; logical name MAPOUT



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1101400.37500
           Mean density ....................................482114.84375
           Rms deviation from mean density .................508674.03125
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 SFALL:   Normal Termination of fc map output
Times: User:       0.3s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: mapmask            version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:48:00 


 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.

<!--SUMMARY_END--></FONT></B>
 Data line--- XYZLIM 0 67 0 87 0 111
 Data line--- AXIS Z X Y
 Comment line--- ## This script run with the command   ##########
 Comment line--- # mapmask MAPIN "/tmp/phzwart/betty_18_11_map.tmp" MAPOUT "/tmp/phzwart/betty_18_15_map.tmp"
 Comment line--- ################################################

 Logical Name: MAPIN   Filename: /tmp/phzwart/betty_18_11_map.tmp 

File name for input map file on unit   1 : /tmp/phzwart/betty_18_11_map.tmp
file size 1341600 ; logical name MAPIN



           Number of columns, rows, sections ...............  112   68   44
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   43
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1101400.37500
           Mean density ....................................482114.84375
           Rms deviation from mean density .................508674.03125
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


 Unit cell volume:  363565.8
 Orthogonalisation matrices:
   55.030   0.000 -19.987           0.018   0.000   0.004
    0.000  73.160   0.000           0.000   0.014   0.000
    0.000   0.000  90.305           0.000   0.000   0.011
 Real space metric tensor:      
    3028.3   5352.4   8554.4      0.0  -2199.8      0.0
 Reciprocal space metric tensor:
  0.000346 0.000187 0.000123 0.000000 0.000089 0.000000

 Spacegroup information obtained from library file: 
 Logical Name: SYMINFO   Filename: /net/rosie/scratch1/phzwart/phenix//phenix-1.25b/ext_ref_files/solve/syminfo.lib


 INPUT  MASK EXTENT
         0 :   67         0 :   43         0 :  111
 OUTPUT MASK EXTENT
         0 :   67         0 :   87         0 :  111


 MAP/MASK READ SUCCESSFUL



 EXTEND XTAL  mode
 Spacegroup symmetry and cell repeat will be used to expand
 the map.



 Logical Name: MAPOUT   Filename: /tmp/phzwart/betty_18_15_map.tmp 

File name for output map file on unit   1 : /tmp/phzwart/betty_18_15_map.tmp
logical name MAPOUT

    Cell ..........  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
    Space group ...  4
    Number of columns, rows, sections ........  112   68   88
    Start and stop points on cols, rows, secs.    0: 111    0:  67    0:  87
    Fast, medium, slow axes ..................    Z    X    Y
    Grid sampling on x, y, z .................   68   88  112
    Start and stop points on x, y, z .........    0:  67    0:  87    0: 111

<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 mapmask:   (mapmask) - normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<html> <!-- CCP4 HTML LOGFILE -->
<hr>
<!--SUMMARY_END--></FONT></B>
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
<pre>
 
 ###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 6.0: OVERLAPMAP         version 6.0       : 06/09/05##
 ###############################################################
 User: phzwart  Run date:  7/12/2006 Run time: 10:48:00 


 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.

<!--SUMMARY_END--></FONT></B>

 Logical Name: MAPIN1   Filename: /tmp/phzwart/betty_18_1_map.map.tmp 

File name for input map file on unit   3 : /tmp/phzwart/betty_18_1_map.map.tmp
file size 2682016 ; logical name MAPIN1



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................    -1.27522
           Maximum density .................................     4.42812
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.33506
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  Map Correlation map 1



 Logical Name: MAPIN2   Filename: /tmp/phzwart/betty_18_8_map.tmp 

File name for input map file on unit   4 : /tmp/phzwart/betty_18_8_map.tmp
file size 2682016 ; logical name MAPIN2



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................    17.39320
           Mean density ....................................     0.25258
           Rms deviation from mean density .................     0.48739
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]




 Input key words now


  EITHER
 CORRELATE SECTION - to calculate correlation section by section

  OR
 CORRELATE RESIDUE - to calculate correlation residue by residue

  OR
 CORRELATE ATOM    - to calculate correlation atom by atom

  OR
 REAL space R factor - calculated  residue by residue
 This requires Map1 = FC  
               Map2 = Fobs ( scaled to FC)
               Map3 = "Atom map" with residue flag

  OR
 MAP AVERAGE - average two maps and output new map


  OR
 MAP EXCLUDE - output map2 with points excluded if they  exist in map1 
 eg output solvent density after masking with FC from  protein coordinates.


  OR
 MAP INCLUDE - output map2 with points included only  if they exist in map1 
 eg output protein density after masking with FC from protein coordinates.


 Data line--- correlate residue
  Correlation residue by residue
 Data line--- chain A 1 373
 Data line--- chain B 1 373
 Comment line--- ## This script run with the command   ##########
>>>>>> CCP4 library signal ccp4_parser:Line is longer than allocated length, so truncated (Success)
	 raised in ccp4_parser <<<<<<
 Comment line--- # overlapmap MAPIN1 "/tmp/phzwart/betty_18_1_map.map.tmp" MAPIN2 "/tmp/phzwart/b
 Comment line--- ################################################

 Check print - Mode =     3




 Logical Name: MAPIN3   Filename: /tmp/phzwart/betty_18_15_map.tmp 

File name for input map file on unit   2 : /tmp/phzwart/betty_18_15_map.tmp
file size 2682016 ; logical name MAPIN3



           Number of columns, rows, sections ...............  112   68   88
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0  111    0   67    0   87
           Grid sampling on x, y, z ........................   68   88  112
           Cell dimensions .................................  55.03000  73.16000  92.49000  90.00000 102.48000  90.00000
           Fast, medium, slow axes .........................    Z    X    Y
           Minimum density .................................     0.00000
           Maximum density .................................1101400.37500
           Mean density ....................................482114.84375
           Rms deviation from mean density .................508674.03125
           Space-group .....................................    4
           Number of titles ................................    1


     Labels:                            
  [No title given]


      Total correlation coefficient is :    0.6869
 RMS positive density in  1.map2 (all positive  pts)       0.523
 RMS positive density in  1.map2 (matching map1 pts)       0.842
 RMS positive density in  1.map2 (nonmatching map1 pts)       0.234
 Numbers of positive pts  in  above ranges    555118    185723    369395
 ********************************************************
 ********************************************************
 $TABLE:  Correlation Residue by Residue (chain A) :
 $GRAPHS: Residue correlation (chain A):   1| 373x-1|1:1,2,3: $$
Residue_number  Correlation_coeff_Main_chain 
 Correlation_coeff_Side_chain $$
ResNo      Main-corr-coeff Side-Corr-coeff $$
       1             0.8518   0.0000
       2             0.6687   0.6457
       3             0.7943   0.6427
       4             0.7643   0.0000
       5             0.5889   0.7943
       6             0.5751   0.7709
       7             0.6511   0.7270
       8             0.7024   0.7226
       9             0.6857   0.7281
      10             0.6630   0.7397
      11             0.6103   0.6714
      12             0.5294   0.5515
      13             0.5558   0.6944
      14             0.7032   0.7106
      15             0.6488   0.8124
      16             0.6604   0.6317
      17             0.6739   0.7172
      18             0.8082   0.6412
      19             0.7316   0.7517
      20             0.7136   0.7931
      21             0.6305   0.7870
      22             0.6554   0.7549
      23             0.6825   0.6560
      24             0.6360   0.7556
      25             0.6196   0.7544
      26             0.4716   0.7066
      27             0.6054   0.6372
      28             0.5918   0.5852
      29             0.6858   0.4740
      30             0.6259   0.7788
      31             0.6734   0.6744
      32             0.7087   0.7912
      33             0.7104   0.3081
      34             0.5640   0.8118
      35             0.5276   0.7116
      36             0.6475   0.6809
      37             0.6226   0.7439
      38             0.7100   0.6859
      39             0.6298   0.7030
      40             0.5382   0.7185
      41             0.6070   0.7302
      42             0.6371   0.6417
      43             0.6595   0.5788
      44             0.5850   0.0000
      45             0.6962   0.6735
      46             0.6374   0.5235
      47             0.6363   0.7260
      48             0.5831   0.7144
      49             0.6717   0.6999
      50             0.7049   0.7136
      51             0.6956   0.8192
      52             0.6542   0.6798
      53             0.6954   0.7086
      54             0.6461   0.6841
      55             0.6994   0.0000
      56             0.5971   0.7866
      57             0.7044   0.6943
      58             0.6268   0.7625
      59             0.7557   0.3506
      60             0.7437   0.7367
      61             0.7080   0.7339
      62             0.7045   0.8030
      63             0.6617   0.7594
      64             0.5743   0.6870
      65             0.7015   0.6340
      66             0.6560   0.0000
      67             0.7004   0.7338
      68             0.6288   0.6313
      69             0.6167   0.3740
      70             0.6398   0.4889
      71             0.7089   0.0000
      72             0.5021   0.7526
      73             0.5965   0.7170
      74             0.6146   0.7424
      75             0.6308   0.7128
      76             0.5876   0.5627
      77             0.6492   0.0000
      78             0.6336   0.5187
      79             0.7622   0.0000
      80             0.5127   0.7059
      81             0.6744   0.6661
      82             0.6079   0.7730
      83             0.7041   0.6542
      84             0.6738   0.5611
      85             0.6380   0.6480
      86             0.6777   0.0000
      87             0.6062   0.7294
      88             0.7119   0.7077
      89             0.5542   0.6551
      90             0.6204   0.5887
      91             0.6779   0.7235
      92             0.6200   0.7422
      93             0.7028   0.7529
      94             0.6506   0.7188
      95             0.6932   0.7033
      96             0.5465   0.7129
      97             0.7121   0.6197
      98             0.6439   0.0000
      99             0.7386   0.7377
     100             0.6727   0.6439
     101             0.7423   0.6573
     102             0.7102   0.7538
     103             0.6865   0.5899
     104             0.6043   0.5734
     105             0.7091   0.7871
     106             0.7105   0.8232
     107             0.6967   0.5023
     108             0.7057   0.0000
     109             0.6383   0.7419
     110             0.6282   0.6915
     111             0.5428   0.6434
     112             0.7192   0.7393
     113             0.6608   0.6804
     114             0.7150   0.7517
     115             0.6819   0.7021
     116             0.6838   0.6853
     117             0.6629   0.7758
     118             0.6933   0.7012
     119             0.7017   0.5850
     120             0.7331   0.0000
     121             0.6566   0.6481
     122             0.7425   0.7099
     123             0.7187   0.7782
     124             0.6907   0.8152
     125             0.7239   0.0000
     126             0.6540   0.7006
     127             0.6574   0.7441
     128             0.6440   0.7737
     129             0.6665   0.7196
     130             0.6942   0.7250
     131             0.7307   0.7137
     132             0.7035   0.8141
     133             0.7315   0.0000
     134             0.6486   0.7354
     135             0.6472   0.7763
     136             0.5906   0.6806
     137             0.6275   0.7952
     138             0.7099   0.7603
     139             0.6451   0.6862
     140             0.6996   0.6489
     141             0.6569   0.0000
     142             0.5282   0.5536
     143             0.5627   0.5670
     144             0.6550   0.7103
     145             0.6070   0.6951
     146             0.6268   0.7246
     147             0.6744   0.7511
     148             0.6712   0.7465
     149             0.6561   0.7455
     150             0.6484   0.5906
     151             0.6082   0.6232
     152             0.5322   0.7459
     153             0.6554   0.7363
     154             0.5700   0.6793
     155             0.6563   0.6090
     156             0.6106   0.7287
     157             0.7006   0.3020
     158             0.6647   0.6950
     159             0.6229   0.6818
     160             0.7004   0.7836
     161             0.7026   0.6453
     162             0.6630   0.4500
     163             0.6244   0.6232
     164             0.6799   0.7221
     165             0.7129   0.6727
     166             0.6371   0.6730
     167             0.6931   0.7212
     168             0.6387   0.6149
     169             0.7019   0.5438
     170             0.6616   0.7289
     171             0.6612   0.7782
     172             0.7137   0.0000
     173             0.6035   0.7172
     174             0.5835   0.0000
     175             0.6597   0.7552
     176             0.5918   0.6945
     177             0.5472   0.5742
     178             0.6619   0.0000
     179             0.6525   0.7921
     180             0.6337   0.0000
     181             0.6739   0.7041
     182             0.6430   0.5014
     183             0.7637   0.7998
     184             0.7267   0.7118
     185             0.6179   0.7079
     186             0.6925   0.4732
     187             0.6186   0.6731
     188             0.6300   0.6270
     189             0.6959   0.7178
     190             0.7227   0.5718
     191             0.7337   0.0000
     192             0.6827   0.6959
     193             0.6536   0.6921
     194             0.6637   0.6332
     195             0.7092   0.5972
     196             0.5818   0.5528
     197             0.5967   0.6711
     198             0.6880   0.0000
     199             0.6156   0.6381
     200             0.5652   0.0000
     201             0.6124   0.0000
     202             0.6646   0.6664
     203             0.6841   0.0000
     204             0.6893   0.7027
     205             0.6744   0.7639
     206             0.6141   0.7041
     207             0.6364   0.6922
     208             0.5904   0.7179
     209             0.5829   0.0000
     210             0.6531   0.6137
     211             0.6880   0.6697
     212             0.7120   0.5506
     213             0.7208   0.6256
     214             0.6235   0.0000
     215             0.6981   0.6335
     216             0.7176   0.5773
     217             0.6589   0.7830
     218             0.6863   0.6230
     219             0.6703   0.7669
     220             0.6533   0.0000
     221             0.6605   0.5953
     222             0.7183   0.6663
     223             0.7013   0.7388
     224             0.6732   0.7465
     225             0.7355   0.5919
     226             0.6031   0.7049
     227             0.6789   0.6525
     228             0.6381   0.7053
     229             0.7037   0.7357
     230             0.6557   0.6085
     231             0.6184   0.5039
     232             0.6648   0.7183
     233             0.7320   0.5900
     234             0.7180   0.6367
     235             0.6530   0.0000
     236             0.6428   0.6783
     237             0.6857   0.6381
     238             0.7007   0.6697
     239             0.6472   0.7830
     240             0.6721   0.6992
     241             0.6754   0.7652
     242             0.7642   0.7130
     243             0.6509   0.7701
     244             0.6870   0.7693
     245             0.7197   0.8288
     246             0.7905   0.7354
     247             0.6745   0.6146
     248             0.7178   0.7552
     249             0.6864   0.7442
     250             0.6965   0.7809
     251             0.7096   0.5448
     252             0.7042   0.6255
     253             0.5932   0.7306
     254             0.7268   0.7008
     255             0.6577   0.6582
     256             0.6413   0.6815
     257             0.5847   0.5575
     258             0.6957   0.7737
     259             0.6896   0.0000
     260             0.6731   0.0000
     261             0.6614   0.6319
     262             0.7095   0.7850
     263             0.6185   0.7452
     264             0.6248   0.5610
     265             0.6682   0.7011
     266             0.6924   0.6730
     267             0.6265   0.5826
     268             0.7386   0.6202
     269             0.7017   0.0000
     270             0.6501   0.6341
     271             0.6426   0.7532
     272             0.6559   0.6944
     273             0.6416   0.6607
     274             0.6216   0.6953
     275             0.7078   0.7208
     276             0.7055   0.7682
     277             0.5773   0.3020
     278             0.6501   0.6711
     279             0.7687   0.6493
     280             0.6810   0.6085
     281             0.6799   0.5133
     282             0.6256   0.7066
     283             0.6490   0.7072
     284             0.7041   0.5825
     285             0.6434   0.7729
     286             0.6531   0.0000
     287             0.6801   0.6968
     288             0.6525   0.6745
     289             0.6503   0.6599
     290             0.6229   0.6760
     291             0.5818   0.6666
     292             0.6566   0.0000
     293             0.6596   0.7716
     294             0.7831   0.7041
     295             0.7359   0.7922
     296             0.6006   0.8137
     297             0.6479   0.7125
     298             0.6944   0.6863
     299             0.7626   0.6699
     300             0.7541   0.7741
     301             0.7371   0.7118
     302             0.7436   0.6584
     303             0.7199   0.7706
     304             0.7236   0.7203
     305             0.7070   0.7525
     306             0.6889   0.7027
     307             0.6636   0.7145
     308             0.7059   0.7038
     309             0.7173   0.7395
     310             0.6804   0.0000
     311             0.6770   0.6617
     312             0.6181   0.6356
     313             0.6877   0.6649
     314             0.6768   0.7577
     315             0.6520   0.0000
     316             0.7083   0.6447
     317             0.6651   0.7324
     318             0.6273   0.7293
     319             0.6590   0.0000
     320             0.6507   0.0000
     321             0.5551   0.7314
     322             0.6464   0.6944
     323             0.6406   0.4956
     324             0.6475   0.6822
     325             0.7162   0.7778
     326             0.7100   0.6841
     327             0.6508   0.7138
     328             0.7793   0.7360
     329             0.7101   0.6591
     330             0.6908   0.7515
     331             0.6408   0.6958
     332             0.6492   0.6071
     333             0.7211   0.7583
     334             0.6453   0.7539
     335             0.6542   0.7404
     336             0.7579   0.6503
     337             0.7261   0.6819
     338             0.7421   0.7058
     339             0.7572   0.7676
     340             0.7416   0.5234
     341             0.7251   0.7233
     342             0.7567   0.7721
     343             0.7294   0.8112
     344             0.6427   0.7448
     345             0.6697   0.6588
     346             0.6821   0.5784
     347             0.7357   0.7996
     348             0.7020   0.7195
     349             0.7287   0.7314
     350             0.7025   0.7506
     351             0.6618   0.6231
     352             0.7280   0.7405
     353             0.7177   0.7113
     354             0.7424   0.6230
     355             0.6520   0.7717
     356             0.7096   0.5832
     357             0.6684   0.0000
     358             0.6856   0.7485
     359             0.6906   0.8119
     360             0.7381   0.6734
     361             0.6516   0.6796
     362             0.6969   0.7257
     363             0.5860   0.7811
     364             0.7790   0.0000
     365             0.6906   0.6024
     366             0.6241   0.5602
     367             0.6073   0.6433
     368             0.7192   0.7490
     369             0.7338   0.7113
     370             0.7334   0.7225
     371             0.6623   0.6648
     372             0.7093   0.6207
     373             0.5989   0.7713
 $$
 ********************************************************
 ********************************************************
 $TABLE:  Correlation Residue by Residue (chain B) :
 $GRAPHS: Residue correlation (chain B):   1| 373x-1|1:1,2,3: $$
Residue_number  Correlation_coeff_Main_chain 
 Correlation_coeff_Side_chain $$
ResNo      Main-corr-coeff Side-Corr-coeff $$
       1             0.5325   0.5919
       2             0.7713   0.7352
       3             0.7648   0.3867
       4             0.6835   0.0000
       5             0.7660   0.4657
       6             0.7456   0.7637
       7             0.7563   0.8032
       8             0.7553   0.6222
       9             0.7976   0.8212
      10             0.7601   0.7479
      11             0.6485   0.6259
      12             0.6969   0.5987
      13             0.7452   0.5972
      14             0.7528   0.7474
      15             0.6441   0.7815
      16             0.7668   0.7830
      17             0.6285   0.7395
      18             0.7044   0.7167
      19             0.7530   0.6760
      20             0.7591   0.7830
      21             0.7661   0.8208
      22             0.7327   0.7856
      23             0.7825   0.7217
      24             0.7825   0.7790
      25             0.7822   0.5613
      26             0.7536   0.7612
      27             0.7053   0.6175
      28             0.7206   0.6725
      29             0.7351   0.4324
      30             0.7508   0.8293
      31             0.7451   0.7532
      32             0.7222   0.8015
      33             0.6803   0.6503
      34             0.6774   0.8138
      35             0.6475   0.7456
      36             0.7143   0.7751
      37             0.7534   0.7556
      38             0.7702   0.7036
      39             0.7295   0.7294
      40             0.7076   0.7443
      41             0.7295   0.8082
      42             0.6873   0.7210
      43             0.7667   0.2831
      44             0.7148   0.0000
      45             0.6940   0.6940
      46             0.7100   0.5797
      47             0.5928   0.7912
      48             0.6918   0.6148
      49             0.6370   0.7266
      50             0.7347   0.6714
      51             0.7419   0.8203
      52             0.7203   0.7692
      53             0.6843   0.7653
      54             0.7423   0.6937
      55             0.7552   0.0000
      56             0.7604   0.7694
      57             0.7341   0.7155
      58             0.7514   0.7749
      59             0.8000   0.4160
      60             0.8089   0.7308
      61             0.7998   0.6872
      62             0.7309   0.7846
      63             0.6613   0.7056
      64             0.7290   0.7273
      65             0.7277   0.4692
      66             0.7369   0.0000
      67             0.7342   0.6563
      68             0.6052   0.7538
      69             0.6992   0.3073
      70             0.7260   0.3476
      71             0.6531   0.0000
      72             0.7116   0.6999
      73             0.7294   0.7028
      74             0.7546   0.7594
      75             0.7262   0.5039
      76             0.7137   0.6838
      77             0.7294   0.0000
      78             0.7889   0.6351
      79             0.8109   0.0000
      80             0.7415   0.7713
      81             0.7497   0.7913
      82             0.7702   0.8283
      83             0.7589   0.7578
      84             0.7411   0.4382
      85             0.6950   0.7336
      86             0.8059   0.0000
      87             0.7290   0.7630
      88             0.6944   0.6979
      89             0.6699   0.7529
      90             0.7143   0.6048
      91             0.6586   0.7898
      92             0.6821   0.7375
      93             0.7262   0.7899
      94             0.7226   0.6749
      95             0.6966   0.8159
      96             0.6165   0.7145
      97             0.7045   0.6958
      98             0.7269   0.0000
      99             0.6980   0.7355
     100             0.7512   0.5602
     101             0.7168   0.7155
     102             0.7260   0.6812
     103             0.6805   0.5604
     104             0.6328   0.6055
     105             0.6805   0.8371
     106             0.8153   0.7593
     107             0.6820   0.5242
     108             0.8062   0.0000
     109             0.7438   0.6864
     110             0.6173   0.7026
     111             0.6235   0.6340
     112             0.6576   0.7278
     113             0.5354   0.6686
     114             0.6653   0.6751
     115             0.6787   0.7863
     116             0.6899   0.7826
     117             0.7348   0.7606
     118             0.8172   0.6894
     119             0.6750   0.6926
     120             0.7856   0.0000
     121             0.6912   0.7669
     122             0.7712   0.7411
     123             0.7764   0.8087
     124             0.7643   0.7444
     125             0.7593   0.0000
     126             0.6367   0.6697
     127             0.6766   0.6533
     128             0.7367   0.7865
     129             0.7233   0.6959
     130             0.7302   0.7442
     131             0.6767   0.7971
     132             0.7835   0.7546
     133             0.8238   0.0000
     134             0.7190   0.5025
     135             0.8035   0.8226
     136             0.6211   0.7324
     137             0.6671   0.7729
     138             0.7040   0.7015
     139             0.6102   0.7356
     140             0.7392   0.7491
     141             0.7670   0.0000
     142             0.5292   0.6321
     143             0.6211   0.6767
     144             0.6739   0.7514
     145             0.6999   0.7411
     146             0.7508   0.7121
     147             0.7562   0.7837
     148             0.7495   0.7844
     149             0.7380   0.7265
     150             0.7864   0.6791
     151             0.7081   0.6126
     152             0.5978   0.6756
     153             0.6856   0.7437
     154             0.7168   0.6660
     155             0.6930   0.8113
     156             0.6829   0.7063
     157             0.7523   0.5633
     158             0.7849   0.7221
     159             0.7171   0.6904
     160             0.7784   0.6892
     161             0.7543   0.3816
     162             0.7928   0.2557
     163             0.6859   0.6701
     164             0.7584   0.7731
     165             0.7340   0.7560
     166             0.7696   0.7720
     167             0.7530   0.6325
     168             0.6755   0.5836
     169             0.6777   0.6076
     170             0.5911   0.7070
     171             0.6146   0.7195
     172             0.7061   0.0000
     173             0.6778   0.5160
     174             0.7219   0.0000
     175             0.6571   0.7203
     176             0.6249   0.7518
     177             0.5314   0.6351
     178             0.6383   0.0000
     179             0.6053   0.7773
     180             0.6135   0.0000
     181             0.6233   0.5433
     182             0.6937   0.5647
     183             0.7463   0.6856
     184             0.7966   0.5492
     185             0.7459   0.7428
     186             0.7419   0.7435
     187             0.7286   0.6598
     188             0.6993   0.5912
     189             0.7480   0.7653
     190             0.6840   0.7830
     191             0.7350   0.0000
     192             0.6457   0.6605
     193             0.6915   0.7404
     194             0.7321   0.6219
     195             0.7906   0.7162
     196             0.6679   0.6919
     197             0.6602   0.7155
     198             0.6891   0.0000
     199             0.6663   0.6482
     200             0.6170   0.0000
     201             0.6677   0.0000
     202             0.6682   0.6753
     203             0.6532   0.0000
     204             0.7024   0.5890
     205             0.6781   0.6817
     206             0.6692   0.6717
     207             0.6792   0.6921
     208             0.6393   0.7186
     209             0.6575   0.0000
     210             0.6691   0.6040
     211             0.7555   0.6468
     212             0.7693   0.3300
     213             0.7418   0.6334
     214             0.7336   0.0000
     215             0.7449   0.6767
     216             0.7346   0.5665
     217             0.7306   0.7910
     218             0.7131   0.5899
     219             0.7354   0.5645
     220             0.7514   0.0000
     221             0.7528   0.6171
     222             0.6934   0.6598
     223             0.7812   0.7287
     224             0.6519   0.6608
     225             0.6894   0.6497
     226             0.7268   0.6462
     227             0.6418   0.7214
     228             0.7536   0.7023
     229             0.7175   0.6497
     230             0.6175   0.6301
     231             0.6259   0.6473
     232             0.7517   0.7147
     233             0.7615   0.6457
     234             0.7461   0.6890
     235             0.7938   0.0000
     236             0.6902   0.4386
     237             0.7596   0.6885
     238             0.5842   0.5673
     239             0.6618   0.7116
     240             0.7652   0.7233
     241             0.7220   0.7827
     242             0.8112   0.7721
     243             0.7651   0.7737
     244             0.6926   0.7649
     245             0.6779   0.8017
     246             0.7767   0.6949
     247             0.6779   0.7121
     248             0.7346   0.7299
     249             0.6437   0.7280
     250             0.6686   0.7085
     251             0.7251   0.7838
     252             0.7952   0.7070
     253             0.7020   0.7399
     254             0.6946   0.6729
     255             0.8036   0.6046
     256             0.6917   0.7706
     257             0.6198   0.6037
     258             0.7092   0.6731
     259             0.7303   0.0000
     260             0.7272   0.0000
     261             0.6352   0.6854
     262             0.7277   0.7734
     263             0.7151   0.7372
     264             0.6084   0.6430
     265             0.7629   0.6757
     266             0.7356   0.6588
     267             0.6377   0.6631
     268             0.7166   0.6972
     269             0.7527   0.0000
     270             0.6288   0.6695
     271             0.7461   0.6621
     272             0.6906   0.7137
     273             0.7240   0.5980
     274             0.6841   0.6816
     275             0.5924   0.7359
     276             0.7229   0.7470
     277             0.5449   0.5977
     278             0.6898   0.5663
     279             0.7161   0.6328
     280             0.7009   0.5673
     281             0.6551   0.5909
     282             0.6146   0.6456
     283             0.6616   0.7827
     284             0.6541   0.4681
     285             0.7266   0.7454
     286             0.6878   0.0000
     287             0.6743   0.6291
     288             0.6897   0.6862
     289             0.7198   0.7227
     290             0.6260   0.6734
     291             0.6465   0.6362
     292             0.6486   0.0000
     293             0.6861   0.7496
     294             0.7279   0.6810
     295             0.7539   0.6876
     296             0.5365   0.6761
     297             0.6988   0.5850
     298             0.7190   0.7926
     299             0.8611   0.7882
     300             0.6986   0.6761
     301             0.7862   0.6421
     302             0.7458   0.6583
     303             0.7165   0.6310
     304             0.7879   0.7791
     305             0.6714   0.7700
     306             0.6360   0.6250
     307             0.6470   0.6957
     308             0.7609   0.7282
     309             0.6918   0.7040
     310             0.6459   0.0000
     311             0.7424   0.6864
     312             0.6592   0.6813
     313             0.7600   0.7170
     314             0.7174   0.7638
     315             0.7570   0.0000
     316             0.6951   0.5973
     317             0.6933   0.7398
     318             0.6998   0.7330
     319             0.6709   0.0000
     320             0.6770   0.0000
     321             0.6464   0.7183
     322             0.6542   0.7790
     323             0.7431   0.5821
     324             0.7235   0.7748
     325             0.7474   0.7832
     326             0.7257   0.7473
     327             0.7151   0.6807
     328             0.7491   0.7822
     329             0.7392   0.5442
     330             0.6725   0.6304
     331             0.6634   0.7079
     332             0.7149   0.5322
     333             0.6596   0.8026
     334             0.7086   0.7514
     335             0.7704   0.7727
     336             0.7270   0.6913
     337             0.7455   0.6753
     338             0.7693   0.5445
     339             0.7695   0.7337
     340             0.8024   0.6513
     341             0.7694   0.7712
     342             0.7918   0.8042
     343             0.7598   0.8332
     344             0.6993   0.7033
     345             0.7444   0.6857
     346             0.7192   0.6648
     347             0.7452   0.8297
     348             0.7560   0.6997
     349             0.7694   0.7657
     350             0.7211   0.7916
     351             0.7113   0.7627
     352             0.7811   0.7631
     353             0.7287   0.7312
     354             0.7084   0.6620
     355             0.7076   0.7680
     356             0.7938   0.6990
     357             0.7125   0.0000
     358             0.7693   0.7593
     359             0.7136   0.7724
     360             0.7879   0.7454
     361             0.7659   0.6564
     362             0.7430   0.7755
     363             0.7498   0.6884
     364             0.8046   0.0000
     365             0.7276   0.6578
     366             0.6840   0.6163
     367             0.7115   0.6858
     368             0.6830   0.7445
     369             0.7733   0.8034
     370             0.6537   0.6869
     371             0.7680   0.7241
     372             0.7666   0.6458
     373             0.8218   0.7767
     374             0.2643   0.0000
     375            -0.1001   0.0000
     376             0.1899   0.0000
     377             0.2562   0.0000
     378             0.0152   0.0000
     379             0.2353   0.0000
     380             0.3204   0.0000
     381             0.1693   0.0000
     382             0.3991   0.0000
     383             0.3900   0.0000
     384             0.6483   0.0000
     385             0.5069   0.0000
     386             0.4006   0.0000
     387             0.1017   0.0000
     388             0.4762   0.0000
     389             0.0081   0.0000
     390             0.1778   0.0000
     391             0.4930   0.0000
     392             0.5455   0.0000
     393             0.3256   0.0000
     394             0.1635   0.0000
     395             0.5768   0.0000
     396             0.5737   0.0000
     397             0.4182   0.0000
     398             0.3593   0.0000
     399             0.4159   0.0000
     400             0.1061   0.0000
     401            -0.0554   0.0000
     402             0.4722   0.0000
     403             0.3805   0.0000
     404             0.0801   0.0000
     405             0.2368   0.0000
     406             0.4513   0.0000
     407             0.1507   0.0000
     408            -0.0878   0.0000
     409             0.5893   0.0000
     410             0.4621   0.0000
     411             0.5561   0.0000
     412             0.6194   0.0000
     413             0.3554   0.0000
     414             0.2878   0.0000
     415             0.3344   0.0000
     416             0.2003   0.0000
     417             0.1912   0.0000
     418             0.5514   0.0000
     419             0.4309   0.0000
     420             0.2930   0.0000
     421             0.6085   0.0000
     422             0.2735   0.0000
     423             0.3660   0.0000
     424             0.2483   0.0000
     425             0.2303   0.0000
     426             0.4743   0.0000
     427             0.5351   0.0000
     428             0.4337   0.0000
     429             0.3836   0.0000
     430             0.3040   0.0000
     431             0.4877   0.0000
     432             0.2546   0.0000
     433             0.4570   0.0000
     434             0.2224   0.0000
     435            -0.1474   0.0000
     436             0.0478   0.0000
     437             0.4427   0.0000
     438             0.2704   0.0000
     439             0.1873   0.0000
     440             0.4088   0.0000
     441             0.1353   0.0000
     442             0.2242   0.0000
     443             0.2454   0.0000
     444             0.5160   0.0000
     445             0.1701   0.0000
     446             0.4478   0.0000
     447             0.5204   0.0000
     448             0.0532   0.0000
     449             0.0337   0.0000
     450             0.3009   0.0000
     451             0.4846   0.0000
     452             0.4989   0.0000
     453             0.2417   0.0000
     454             0.1569   0.0000
     455             0.0074   0.0000
     456             0.1881   0.0000
     457             0.5371   0.0000
     458             0.2025   0.0000
     459             0.1364   0.0000
     460             0.2584   0.0000
     461             0.3826   0.0000
     462             0.2856   0.0000
     463             0.3343   0.0000
     464             0.5007   0.0000
     465             0.0822   0.0000
     466             0.4852   0.0000
     467             0.2801   0.0000
     468             0.0199   0.0000
     469             0.2271   0.0000
     470             0.4220   0.0000
     471             0.0679   0.0000
     472             0.3321   0.0000
     473             0.2485   0.0000
     474             0.2753   0.0000
     475             0.4074   0.0000
     476             0.2316   0.0000
     477            -0.1391   0.0000
     478             0.0476   0.0000
     479             0.3077   0.0000
     480            -0.0073   0.0000
     481             0.2000   0.0000
     482             0.2281   0.0000
     483            -0.1306   0.0000
     484             0.5982   0.0000
     485             0.5405   0.0000
     486             0.4598   0.0000
     487            -0.0546   0.0000
     488             0.5177   0.0000
     489            -0.1660   0.0000
     490             0.0943   0.0000
     491             0.0714   0.0000
     492             0.0193   0.0000
     493             0.0627   0.0000
     494             0.3463   0.0000
     495             0.4671   0.0000
     496             0.1514   0.0000
     497             0.2584   0.0000
     498             0.0095   0.0000
     499             0.1009   0.0000
     500             0.4887   0.0000
     501             0.7599   0.0000
     502             0.4386   0.0000
     503             0.5528   0.0000
     504             0.2450   0.0000
     505             0.3541   0.0000
     506             0.6051   0.0000
     507             0.4297   0.0000
     508             0.3686   0.0000
     509             0.3718   0.0000
     510             0.2956   0.0000
     511             0.1557   0.0000
     512             0.5126   0.0000
     513             0.2023   0.0000
     514             0.3994   0.0000
     515             0.1633   0.0000
     516             0.3032   0.0000
     517             0.0931   0.0000
     518             0.3661   0.0000
     519             0.5332   0.0000
     520             0.2385   0.0000
     521             0.2881   0.0000
     522             0.3861   0.0000
     523             0.2317   0.0000
     524             0.3875   0.0000
     525             0.2651   0.0000
     526             0.1623   0.0000
     527             0.1300   0.0000
     528             0.4158   0.0000
     529             0.3625   0.0000
     530             0.2264   0.0000
     531             0.5936   0.0000
     532             0.1503   0.0000
     533             0.4693   0.0000
     534             0.6005   0.0000
     535             0.2815   0.0000
     536             0.6966   0.0000
     537             0.2432   0.0000
     538             0.1762   0.0000
     539             0.3325   0.0000
     540             0.2535   0.0000
     541             0.3952   0.0000
     542             0.0732   0.0000
     543             0.1654   0.0000
     544             0.3801   0.0000
     545             0.1982   0.0000
     546             0.6170   0.0000
     547             0.3802   0.0000
     548            -0.2254   0.0000
     549             0.5044   0.0000
     550             0.1432   0.0000
     551             0.0872   0.0000
     552             0.6896   0.0000
     553             0.3763   0.0000
     554             0.4257   0.0000
     555             0.2895   0.0000
     556             0.5409   0.0000
     557             0.2142   0.0000
     558             0.6120   0.0000
     559             0.4421   0.0000
     560             0.4766   0.0000
     561             0.1599   0.0000
     562             0.3948   0.0000
     563             0.2966   0.0000
     564             0.3138   0.0000
     565             0.3226   0.0000
     566             0.6142   0.0000
     567            -0.2664   0.0000
     568             0.4031   0.0000
     569             0.2950   0.0000
     570             0.0505   0.0000
     571             0.5262   0.0000
     572             0.3453   0.0000
     573             0.2450   0.0000
     574             0.3228   0.0000
     575             0.1346   0.0000
     576             0.2759   0.0000
     577             0.5165   0.0000
     578             0.4881   0.0000
     579             0.6060   0.0000
     580             0.2297   0.0000
     581             0.3302   0.0000
     582             0.3142   0.0000
     583             0.5263   0.0000
     584             0.1321   0.0000
     585             0.0113   0.0000
     586             0.5560   0.0000
     587             0.0758   0.0000
     588             0.4407   0.0000
     589             0.2675   0.0000
     590             0.4254   0.0000
     591             0.5453   0.0000
     592             0.5700   0.0000
     593             0.3422   0.0000
     594             0.4986   0.0000
     595             0.4055   0.0000
     596             0.4735   0.0000
     597             0.3983   0.0000
     598             0.3728   0.0000
     599             0.2992   0.0000
     600             0.2293   0.0000
     601             0.3182   0.0000
     602             0.5129   0.0000
     603             0.3262   0.0000
     604             0.0225   0.0000
     605             0.5048   0.0000
     606             0.6665   0.0000
     607            -0.0340   0.0000
     608             0.2875   0.0000
     609             0.4913   0.0000
     610             0.3371   0.0000
     611             0.4231   0.0000
     612             0.3217   0.0000
     613             0.4124   0.0000
     614             0.3527   0.0000
     615             0.4438   0.0000
     616             0.4977   0.0000
     617             0.1289   0.0000
     618             0.1159   0.0000
     619             0.5150   0.0000
     620             0.3116   0.0000
     621             0.4821   0.0000
     622             0.5593   0.0000
     623             0.3266   0.0000
     624             0.3367   0.0000
     625             0.0618   0.0000
     626             0.3176   0.0000
     627             0.3103   0.0000
     628             0.0316   0.0000
     629             0.3485   0.0000
     630             0.3947   0.0000
     631             0.3279   0.0000
     632             0.0724   0.0000
     633             0.5354   0.0000
     634            -0.1529   0.0000
     635             0.2559   0.0000
     636             0.0457   0.0000
     637             0.3114   0.0000
     638             0.5613   0.0000
     639             0.2509   0.0000
     640             0.0773   0.0000
     641             0.0412   0.0000
     727             0.0000   0.6104
     777             0.0000   0.5360
     827             0.0000   0.6396
     877             0.0000   0.4754
     927             0.0000   0.6766
     928             0.0000   0.7193
    1302             0.0000   0.7784
    1303             0.0000   0.7427
  $$
 Total:              0.6877   0.6859
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 OVERLAPMAP:   Normal termination 
Times: User:       0.1s System:    0.0s Elapsed:     0:00  
</pre>
</html>
<!--SUMMARY_END--></FONT></B>

#CCP4I TERMINATION STATUS 1 
#CCP4I TERMINATION TIME 07 Dec 2006  10:48:00
#CCP4I MESSAGE Task completed successfully