#CCP4I VERSION CCP4Interface 1.3.9 #CCP4I SCRIPT LOG patterson #CCP4I DATE 12 Jun 2003 14:07:25 #CCP4I USER mgwt #CCP4I PROJECT 2003test #CCP4I JOB_ID 16 #CCP4I SCRATCH /tmp/mgwt #CCP4I HOSTNAME bragg3 #CCP4I PID 5237 




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 ### CCP4 4.2: FFT                version 4.2       : 31/07/02##
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 User: mgwt  Run date: 12/ 6/03  Run time:14:07:25


 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.



 Data line--- title anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)
 Data line--- PATTERSON
 Data line--- scale F2 0.000001


  Scale factor and Temperature factor for       F2       0.0000   0.0000
 Data line--- exclude          sig1 0.0     sig2 3.0     diff 9999.0
 Data line--- labin    F1=DANO_Hg SIG1=SIGDANO_Hg
 Data line--- end

  (Q)QOPEN: file opened on unit  1      Status: READONLY

 Logical Name: HKLIN      Filename: /y/people/mgwt/TEST/hg_a_1to84_h32_scala1.mtz


 HEADER INFORMATION FROM INPUT MTZ FILE ON INDEX  1
 
 * Title:
 
 MOSFLM into SCALA _ domain mercury H3.
 
 * Number of Datasets =   1
 
 * Dataset ID, project/crystal name, dataset name, cell dimensions, wavelength:
 
        1 HypF /
          Hg
             58.4407   58.4407  156.1607   90.0000   90.0000  120.0000
             0.99970
 
 * Number of Columns =  18
 
 * Number of Reflections =   4894
 
 * Missing value set to NaN in input mtz  file
 
 * HISTORY for current MTZ file :
 
 From TRUNCATE, 12/ 6/03 13:48:53
 From SCALA: run at 13:48:51 on 12/ 6/03
 From SORTMTZ, 12/ 6/03 13:47:50  using keys: H K L M/ISYM BATCH
 From REINDEX, 12/ 6/03 13:47:49
  From MOSFLM run on 19/ 5/03
 
 * Column Labels :
 
 H K L F_Hg SIGF_Hg DANO_Hg SIGDANO_Hg F_Hg(+) SIGF_Hg(+) F_Hg(-) SIGF_Hg(-)
 IMEAN_Hg SIGIMEAN_Hg I_Hg(+) SIGI_Hg(+) I_Hg(-) SIGI_Hg(-) ISYM_Hg
 
 * Column Types :
 
 H H H F Q D Q G L G L J Q K M K M Y
 
 * Associated datasets :
 
    1   1   1   1   1   1   1   1   1   1   1   1   1   1   1   1   1   1
 
 * Cell Dimensions :
 
    58.4407   58.4407  156.1607   90.0000   90.0000  120.0000
 
 *  Resolution Range :
 
      0.00117     0.19322      (   29.235 -     2.275 A )
 
 * Sort Order :
 
      1     2     3     4     5
 
 * Space group = H32  (number   155)
 
  PATTERSON calculated - 
  ** All translational elements of symmetry set to zero **


Symmetry operators:   1: X,   Y,   Z:    2:-Y,   X-Y,   Z
 Harker Vector:  2     X+ Y,  -X+2Y,  0
 Harker Section is:  Z  =   0.00

 Harker vector Matrix:
          1.00  1.00  0.00  0.00
         -1.00  2.00  0.00  0.00
          0.00  0.00  0.00  0.00
          0.00  0.00  0.00  0.00


Symmetry operators:   1: X,   Y,   Z:    3:-X+ Y,  -X,   Z
 Harker Vector:  3     2X-Y,   X+ Y,  0
 Harker Section is:  Z  =   0.00

 Harker vector Matrix:
          2.00 -1.00  0.00  0.00
          1.00  1.00  0.00  0.00
          0.00  0.00  0.00  0.00
          0.00  0.00  0.00  0.00

 Patterson spacegroup is H-3m, number    166


 FORMATTED      OLD     file opened on unit  24

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      OLD     file opened on unit  49

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib


 ***  Calculation symmetry using space-group CalcSpaceGroup    2 ***

 FORMATTED      OLD     file opened on unit  24

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib


  In PGDEFN: Nsym =      2
   Number of primitive symmetry operators       2
   Number of  symmetry operators                2
   The point group for these symmetry operators is PG1
  Resorted symmetry( all primitives first)      1
      1.000     0.000     0.000     0.000
      0.000     1.000     0.000     0.000
      0.000     0.000     1.000     0.000
      0.000     0.000     0.000     1.000
  Resorted symmetry( all primitives first)      2
     -1.000     0.000     0.000     0.000
      0.000    -1.000     0.000     0.000
      0.000     0.000    -1.000     0.000
      0.000     0.000     0.000     1.000
  **** ICENTR   gives  axis of centering *****
 
 
   No centering              (P spacegroups)
 
 
 
 *** KLASS: a crystal class name used in MDF files ***
 
 
   TRICLINIC       1_BAR (PG1)       sgs  1

 FORMATTED      OLD     file opened on unit  24

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib


 * Input Program Labels :
 
 H K L A B F1 SIG1 PHI F2 SIG2 FH PHIH W DANO W2 PHI2 FREE I SIGI
 
 * Input File Labels :
 
 H K L F_Hg SIGF_Hg DANO_Hg SIGDANO_Hg F_Hg(+) SIGF_Hg(+) F_Hg(-) SIGF_Hg(-)
 IMEAN_Hg SIGIMEAN_Hg I_Hg(+) SIGI_Hg(+) I_Hg(-) SIGI_Hg(-) ISYM_Hg
 
 * Lookup Table : the number indicates the input column no.
 * Array element n corresponds to the nth program label
 
     1    2    3    0    0    6    7    0    0    0    0    0    0    0    0
     0    0    0    0
 
  FREE column NOT assigned


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


 Patterson synthesis: ( k1 * F1)**2

    F1   =  DANO_Hg  checked by SIG1 = SIGDANO_Hg



 Resolution limits:     29.24     2.27
 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  **


 *** reflections excluded ***

                     if |F2| <    3.0* |sd(F2)|
                     if  differences  |F1-F2| >       9999.00



  PATTERSON calculated - amplitudes used = F1 squared -
  ** All translational elements of symmetry set to zero **

 Patterson spacegroup is H-3m, number    166




 Number of symmetry and primitive operations =  36   6 Space-group for FFT =   1  True space-group = 166 List terms gt     0
 Sym reset
    1.00    0.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    1.00    0.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    1.00    0.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    1.00    0.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    1.00    0.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
   -1.00    0.00    0.00    0.00   0
    0.00   -1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00    1.00    0.00    0.00   0
   -1.00    1.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    1.00   -1.00    0.00    0.00   0
    1.00    0.00    0.00    0.00   0
    0.00    0.00   -1.00    0.00   0

 Sym reset
    0.00   -1.00    0.00    0.00   0
   -1.00    0.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
   -1.00    1.00    0.00    0.00   0
    0.00    1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0

 Sym reset
    1.00    0.00    0.00    0.00   0
    1.00   -1.00    0.00    0.00   0
    0.00    0.00    1.00    0.00   0


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


 ** The limits of the map have been set to those of
 the CCP4 asymmetric unit for spacegroup    1

    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= Z,  z= Y


  (Q)QOPEN: file opened on unit  2      Status: UNKNOWN

 Logical Name: FFTHKLSCR      Filename: /tmp/mgwt/fft_IO4.05239



 Indices should be permuted by FFT to order  h   l   k



        3 sort keys, in columns    1   3   2



  ****  Largest F Value *** Reflection   3  1-10       15519.34

                                         Mean F          914.96

    24054 records passed to sort
    24054 records output

  (Q)QOPEN: file opened on unit  1      Status: READONLY

 Logical Name: FFTHKLSCR      Filename: /tmp/mgwt/fft_IO4.05239


 * Input Program Labels :
 
 H K L A B
 
 * Input File Labels :
 
 H K L A B
 
 * Lookup Table : the number indicates the input column no.
 * Array element n corresponds to the nth program label
 
     1    2    3    4    5
 
 Before permutation :
           Maximum indices hkl ...................   25   25   68
           Sampling intervals on xyz .............   78   78  204
           Map limits in grid points on xyz ......    0   77       0   77       0  203

 Binary map will be written to stream   1

 Data is assumed to be sorted
 After permutation :
           Maximum indices hkl ...................   25   68   25
           Sampling intervals on xyz .............   78  204   78
           Map limits in grid points on xyz ......    0   77       0  203       0   77



                              Fourier synthesis for space-group P1

 1000000

           Size of working array (words) ...................... 1000000
           Number of layers of h in each pass (P1) ............      51
           Number of map sections in each pass (P2) ...........     164


  (Q)QOPEN: file opened on unit  2      Status: SCRATCH

 Logical Name: DISKIO1      Filename: /tmp/mgwt/fft_IO1.05239




  ****  Largest F Value *** Reflection   3  1-10       15519.34

                                         Mean F          914.96

      24054 Structure factors used out of 24054 on the input file.    Limits on h are   -25   25

  (Q)QOPEN: file opened on unit  3      Status: UNKNOWN

 Logical Name: MAPOUT      Filename: /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map



   File name for output map file on unit   1 : /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map
      logical name MAPOUT


 FORMATTED      OLD     file opened on unit   4

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib


 F000 =    0.000E+00          V =    4.619E+05

 Section axis is Z

 Binary output has Y running fastest, X next
  Section Z =   0 minimum rho =        -7.5102 at X =   0 Y =  75 maximum rho =        94.8099 at X =   0 Y =   0
  Section Z =   1 minimum rho =        -5.3606 at X =   0 Y =  75 maximum rho =        66.0039 at X =   0 Y =   0
  Section Z =   2 minimum rho =        -2.7021 at X =  26 Y =  52 maximum rho =        15.9526 at X =   0 Y =   0
  Section Z =   3 minimum rho =        -5.5351 at X =   0 Y =   0 maximum rho =         3.6477 at X =  74 Y =  76
  Section Z =   4 minimum rho =        -2.0219 at X =   0 Y =   0 maximum rho =         2.1938 at X =  60 Y =  69
  Section Z =   5 minimum rho =        -1.6285 at X =  51 Y =  13 maximum rho =         2.4913 at X =  30 Y =  15
  Section Z =   6 minimum rho =        -1.9819 at X =  75 Y =  35 maximum rho =         3.5418 at X =  41 Y =  37
  Section Z =   7 minimum rho =        -1.8857 at X =   3 Y =  75 maximum rho =         7.5005 at X =  41 Y =  37
  Section Z =   8 minimum rho =        -2.5010 at X =  18 Y =  36 maximum rho =         8.3145 at X =  74 Y =  37
  Section Z =   9 minimum rho =        -2.0391 at X =  20 Y =  53 maximum rho =         3.8005 at X =  41 Y =   4
  Section Z =  10 minimum rho =        -2.0986 at X =  10 Y =  20 maximum rho =         3.3386 at X =  26 Y =  52
  Section Z =  11 minimum rho =        -1.7687 at X =  45 Y =  61 maximum rho =         2.3965 at X =  20 Y =  49
  Section Z =  12 minimum rho =        -2.0387 at X =  23 Y =  50 maximum rho =         3.4767 at X =  27 Y =  46
  Section Z =  13 minimum rho =        -1.8678 at X =  25 Y =  23 maximum rho =         3.4339 at X =   2 Y =  54
  Section Z =  14 minimum rho =        -2.4858 at X =  18 Y =  48 maximum rho =         3.3752 at X =  26 Y =  52
  Section Z =  15 minimum rho =        -1.9693 at X =  18 Y =  48 maximum rho =         1.9442 at X =  52 Y =  26
  Section Z =  16 minimum rho =        -2.0667 at X =  19 Y =  58 maximum rho =         2.1749 at X =   0 Y =   0
  Section Z =  17 minimum rho =        -1.9470 at X =  20 Y =  59 maximum rho =         2.3706 at X =   0 Y =   0
  Section Z =  18 minimum rho =        -1.9510 at X =  23 Y =  46 maximum rho =         1.7609 at X =  43 Y =  36
  Section Z =  19 minimum rho =        -2.2233 at X =  32 Y =  55 maximum rho =         3.6574 at X =  52 Y =  26
  Section Z =  20 minimum rho =        -2.2118 at X =  15 Y =  31 maximum rho =         3.5362 at X =  40 Y =  10
  Section Z =  21 minimum rho =        -1.8346 at X =  50 Y =  54 maximum rho =         2.5030 at X =  48 Y =  38
  Section Z =  22 minimum rho =        -1.6872 at X =  41 Y =  20 maximum rho =         1.9600 at X =  48 Y =  31
  Section Z =  23 minimum rho =        -1.8389 at X =  45 Y =  14 maximum rho =         1.7523 at X =  44 Y =  47
  Section Z =  24 minimum rho =        -1.7350 at X =  19 Y =  38 maximum rho =         1.8117 at X =   5 Y =  10
  Section Z =  25 minimum rho =        -1.3633 at X =  58 Y =  29 maximum rho =         1.8223 at X =   5 Y =  10
  Section Z =  26 minimum rho =        -1.5136 at X =  21 Y =  59 maximum rho =         1.8472 at X =  52 Y =  26
  Section Z =  27 minimum rho =        -1.4611 at X =   6 Y =  12 maximum rho =         2.7939 at X =  52 Y =  26
  Section Z =  28 minimum rho =        -1.7739 at X =  31 Y =  62 maximum rho =         1.9149 at X =  52 Y =  26
  Section Z =  29 minimum rho =        -1.7094 at X =   0 Y =   0 maximum rho =         2.1605 at X =  23 Y =  46
  Section Z =  30 minimum rho =        -2.0420 at X =   0 Y =   0 maximum rho =         2.2562 at X =  26 Y =  52
  Section Z =  31 minimum rho =        -1.8044 at X =  23 Y =  21 maximum rho =         2.5797 at X =  67 Y =  12
  Section Z =  32 minimum rho =        -1.7049 at X =  46 Y =  44 maximum rho =         3.3376 at X =  14 Y =  28
  Section Z =  33 minimum rho =        -1.5710 at X =  33 Y =  31 maximum rho =         2.6369 at X =  14 Y =  28
  Section Z =  34 minimum rho =        -1.4472 at X =   1 Y =  23 maximum rho =         1.5628 at X =  28 Y =   8
  Section Z =  35 minimum rho =        -1.5710 at X =   5 Y =  59 maximum rho =         2.6369 at X =  38 Y =  40
  Section Z =  36 minimum rho =        -1.7049 at X =   6 Y =  60 maximum rho =         3.3376 at X =   2 Y =  40
  Section Z =  37 minimum rho =        -1.8044 at X =  29 Y =  24 maximum rho =         2.5797 at X =  29 Y =  14
  Section Z =  38 minimum rho =        -2.0420 at X =  52 Y =  26 maximum rho =         2.2562 at X =  26 Y =  52
  Section Z =  39 minimum rho =        -1.7094 at X =  52 Y =  26 maximum rho =         2.1605 at X =  20 Y =  49
  Section Z =  40 minimum rho =        -1.7739 at X =  21 Y =  42 maximum rho =         1.9149 at X =   0 Y =   0
  Section Z =  41 minimum rho =        -1.4611 at X =  46 Y =  32 maximum rho =         2.7939 at X =   0 Y =   0
  Section Z =  42 minimum rho =        -1.5136 at X =  14 Y =  47 maximum rho =         1.8472 at X =   0 Y =   0
  Section Z =  43 minimum rho =        -1.3633 at X =  72 Y =  75 maximum rho =         1.8223 at X =  47 Y =  16
  Section Z =  44 minimum rho =        -1.7350 at X =  33 Y =  45 maximum rho =         1.8117 at X =  47 Y =  16
  Section Z =  45 minimum rho =        -1.8389 at X =   7 Y =  73 maximum rho =         1.7523 at X =   8 Y =  29
  Section Z =  46 minimum rho =        -1.6872 at X =  72 Y =   5 maximum rho =         1.9600 at X =  69 Y =  74
  Section Z =  47 minimum rho =        -1.8346 at X =  28 Y =  30 maximum rho =         2.5030 at X =   4 Y =  16
  Section Z =  48 minimum rho =        -2.2118 at X =  37 Y =  73 maximum rho =         3.5362 at X =   4 Y =  16
  Section Z =  49 minimum rho =        -2.2233 at X =  20 Y =  49 maximum rho =         3.6574 at X =   0 Y =   0
  Section Z =  50 minimum rho =        -1.9510 at X =  29 Y =  49 maximum rho =         1.7609 at X =   9 Y =  19
  Section Z =  51 minimum rho =        -1.9470 at X =  13 Y =  45 maximum rho =         2.3706 at X =  52 Y =  26
  Section Z =  52 minimum rho =        -2.0667 at X =  33 Y =  46 maximum rho =         2.1749 at X =  52 Y =  26
  Section Z =  53 minimum rho =        -1.9693 at X =  22 Y =  44 maximum rho =         1.9442 at X =   0 Y =   0
  Section Z =  54 minimum rho =        -2.4858 at X =  22 Y =  44 maximum rho =         3.3752 at X =  26 Y =  52
  Section Z =  55 minimum rho =        -1.8678 at X =  54 Y =  51 maximum rho =         3.4339 at X =  50 Y =  50
  Section Z =  56 minimum rho =        -2.0387 at X =  25 Y =  49 maximum rho =         3.4767 at X =  20 Y =  45
  Section Z =  57 minimum rho =        -1.7687 at X =  35 Y =  71 maximum rho =         2.3965 at X =  23 Y =  46
  Section Z =  58 minimum rho =        -2.0986 at X =  42 Y =  36 maximum rho =         3.3386 at X =  26 Y =  52
  Section Z =  59 minimum rho =        -2.0391 at X =  32 Y =  59 maximum rho =         3.8005 at X =  11 Y =  67
  Section Z =  60 minimum rho =        -2.5010 at X =  34 Y =  68 maximum rho =         8.3145 at X =  11 Y =  22
  Section Z =  61 minimum rho =        -1.8857 at X =  58 Y =  29 maximum rho =         7.5005 at X =  11 Y =  67
  Section Z =  62 minimum rho =        -1.9819 at X =  55 Y =  64 maximum rho =         3.5418 at X =  11 Y =  67
  Section Z =  63 minimum rho =        -1.6285 at X =  12 Y =  13 maximum rho =         2.4913 at X =  22 Y =  11
  Section Z =  64 minimum rho =        -2.0219 at X =  52 Y =  26 maximum rho =         2.1938 at X =  70 Y =  35
  Section Z =  65 minimum rho =        -5.5351 at X =  52 Y =  26 maximum rho =         3.6477 at X =  56 Y =  28
  Section Z =  66 minimum rho =        -2.7021 at X =  26 Y =  52 maximum rho =        15.9526 at X =  52 Y =  26
  Section Z =  67 minimum rho =        -5.3606 at X =  52 Y =  23 maximum rho =        66.0039 at X =  52 Y =  26
  Section Z =  68 minimum rho =        -7.5102 at X =  52 Y =  23 maximum rho =        94.8099 at X =  52 Y =  26
  Section Z =  69 minimum rho =        -5.3606 at X =  52 Y =  23 maximum rho =        66.0039 at X =  52 Y =  26
  Section Z =  70 minimum rho =        -2.7021 at X =   0 Y =   0 maximum rho =        15.9526 at X =  52 Y =  26
  Section Z =  71 minimum rho =        -5.5351 at X =  52 Y =  26 maximum rho =         3.6477 at X =  54 Y =  24
  Section Z =  72 minimum rho =        -2.0219 at X =  52 Y =  26 maximum rho =         2.1938 at X =  34 Y =  17
  Section Z =  73 minimum rho =        -1.6285 at X =  14 Y =  53 maximum rho =         2.4913 at X =   4 Y =  41
  Section Z =  74 minimum rho =        -1.9819 at X =  12 Y =  61 maximum rho =         3.5418 at X =  15 Y =  30
  Section Z =  75 minimum rho =        -1.8857 at X =  55 Y =  23 maximum rho =         7.5005 at X =  15 Y =  30
  Section Z =  76 minimum rho =        -2.5010 at X =  16 Y =   8 maximum rho =         8.3145 at X =  48 Y =  63
  Section Z =  77 minimum rho =        -2.0391 at X =   7 Y =   6 maximum rho =         3.8005 at X =  15 Y =  30
  Section Z =  78 minimum rho =        -2.0986 at X =  32 Y =  16 maximum rho =         3.3386 at X =   0 Y =   0
  Section Z =  79 minimum rho =        -1.7687 at X =  19 Y =  10 maximum rho =         2.3965 at X =   3 Y =  75
  Section Z =  80 minimum rho =        -2.0387 at X =  75 Y =  77 maximum rho =         3.4767 at X =   1 Y =  72
  Section Z =  81 minimum rho =        -1.8678 at X =  29 Y =  28 maximum rho =         3.4339 at X =  54 Y =  52
  Section Z =  82 minimum rho =        -2.4858 at X =  70 Y =  74 maximum rho =         3.3752 at X =   0 Y =   0
  Section Z =  83 minimum rho =        -1.9693 at X =  70 Y =  74 maximum rho =         1.9442 at X =  26 Y =  52
  Section Z =  84 minimum rho =        -2.0667 at X =  72 Y =   7 maximum rho =         2.1749 at X =  52 Y =  26
  Section Z =  85 minimum rho =        -1.9470 at X =  72 Y =   7 maximum rho =         2.3706 at X =  52 Y =  26
  Section Z =  86 minimum rho =        -1.9510 at X =  75 Y =  72 maximum rho =         1.7609 at X =  45 Y =  62
  Section Z =  87 minimum rho =        -2.2233 at X =  75 Y =   3 maximum rho =         3.6574 at X =  26 Y =  52
  Section Z =  88 minimum rho =        -2.2118 at X =  67 Y =  10 maximum rho =         3.5362 at X =  22 Y =  64
  Section Z =  89 minimum rho =        -1.8346 at X =  56 Y =  54 maximum rho =         2.5030 at X =  22 Y =  64
  Section Z =  90 minimum rho =        -1.6872 at X =  31 Y =  46 maximum rho =         1.9600 at X =  22 Y =  43
  Section Z =  91 minimum rho =        -1.8389 at X =  21 Y =  59 maximum rho =         1.7523 at X =  18 Y =  73
  Section Z =  92 minimum rho =        -1.7350 at X =  14 Y =   7 maximum rho =         1.8117 at X =  57 Y =  21
  Section Z =  93 minimum rho =        -1.3633 at X =  23 Y =  46 maximum rho =         1.8223 at X =  57 Y =  21
  Section Z =  94 minimum rho =        -1.5136 at X =  73 Y =  66 maximum rho =         1.8472 at X =  26 Y =  52
  Section Z =  95 minimum rho =        -1.4611 at X =  58 Y =  38 maximum rho =         2.7939 at X =  26 Y =  52
  Section Z =  96 minimum rho =        -1.7739 at X =  68 Y =  73 maximum rho =         1.9149 at X =  26 Y =  52
  Section Z =  97 minimum rho =        -1.7094 at X =  52 Y =  26 maximum rho =         2.1605 at X =   6 Y =   3
  Section Z =  98 minimum rho =        -2.0420 at X =  52 Y =  26 maximum rho =         2.2562 at X =   0 Y =   0
  Section Z =  99 minimum rho =        -1.8044 at X =  31 Y =  28 maximum rho =         2.5797 at X =  40 Y =  37
  Section Z = 100 minimum rho =        -1.7049 at X =  20 Y =  70 maximum rho =         3.3376 at X =  66 Y =  12
  Section Z = 101 minimum rho =        -1.5710 at X =  21 Y =  28 maximum rho =         2.6369 at X =  66 Y =  12
  Section Z = 102 minimum rho =        -1.4472 at X =  49 Y =  74 maximum rho =         1.5628 at X =  32 Y =  34
  Section Z = 103 minimum rho =        -1.5710 at X =  57 Y =  50 maximum rho =         2.6369 at X =  12 Y =  66
  Section Z = 104 minimum rho =        -1.7049 at X =  58 Y =  50 maximum rho =         3.3376 at X =  12 Y =  66
  Section Z = 105 minimum rho =        -1.8044 at X =  47 Y =  50 maximum rho =         2.5797 at X =  38 Y =  41
  Section Z = 106 minimum rho =        -2.0420 at X =  26 Y =  52 maximum rho =         2.2562 at X =   0 Y =   0
  Section Z = 107 minimum rho =        -1.7094 at X =  26 Y =  52 maximum rho =         2.1605 at X =   3 Y =   6
  Section Z = 108 minimum rho =        -1.7739 at X =  73 Y =  68 maximum rho =         1.9149 at X =  52 Y =  26
  Section Z = 109 minimum rho =        -1.4611 at X =  20 Y =  58 maximum rho =         2.7939 at X =  52 Y =  26
  Section Z = 110 minimum rho =        -1.5136 at X =   7 Y =  73 maximum rho =         1.8472 at X =  52 Y =  26
  Section Z = 111 minimum rho =        -1.3633 at X =  55 Y =  32 maximum rho =         1.8223 at X =  21 Y =  57
  Section Z = 112 minimum rho =        -1.7350 at X =  64 Y =  71 maximum rho =         1.8117 at X =  21 Y =  57
  Section Z = 113 minimum rho =        -1.8389 at X =  40 Y =  19 maximum rho =         1.7523 at X =  23 Y =  18
  Section Z = 114 minimum rho =        -1.6872 at X =  46 Y =  31 maximum rho =         1.9600 at X =  56 Y =  35
  Section Z = 115 minimum rho =        -1.8346 at X =  54 Y =  56 maximum rho =         2.5030 at X =  36 Y =  22
  Section Z = 116 minimum rho =        -2.2118 at X =  10 Y =  21 maximum rho =         3.5362 at X =  64 Y =  22
  Section Z = 117 minimum rho =        -2.2233 at X =   3 Y =  75 maximum rho =         3.6574 at X =  52 Y =  26
  Section Z = 118 minimum rho =        -1.9510 at X =   3 Y =  75 maximum rho =         1.7609 at X =  33 Y =  16
  Section Z = 119 minimum rho =        -1.9470 at X =   6 Y =  13 maximum rho =         2.3706 at X =  26 Y =  52
  Section Z = 120 minimum rho =        -2.0667 at X =   6 Y =  13 maximum rho =         2.1749 at X =  26 Y =  52
  Section Z = 121 minimum rho =        -1.9693 at X =  74 Y =   4 maximum rho =         1.9442 at X =  52 Y =  26
  Section Z = 122 minimum rho =        -2.4858 at X =  74 Y =  70 maximum rho =         3.3752 at X =   0 Y =   0
  Section Z = 123 minimum rho =        -1.8678 at X =  49 Y =  50 maximum rho =         3.4339 at X =  24 Y =  26
  Section Z = 124 minimum rho =        -2.0387 at X =  76 Y =   1 maximum rho =         3.4767 at X =   7 Y =   6
  Section Z = 125 minimum rho =        -1.7687 at X =   9 Y =  19 maximum rho =         2.3965 at X =   6 Y =   3
  Section Z = 126 minimum rho =        -2.0986 at X =  16 Y =  32 maximum rho =         3.3386 at X =   0 Y =   0
  Section Z = 127 minimum rho =        -2.0391 at X =   6 Y =   7 maximum rho =         3.8005 at X =  30 Y =  15
  Section Z = 128 minimum rho =        -2.5010 at X =   8 Y =  16 maximum rho =         8.3145 at X =  63 Y =  48
  Section Z = 129 minimum rho =        -1.8857 at X =  23 Y =  55 maximum rho =         7.5005 at X =  30 Y =  15
  Section Z = 130 minimum rho =        -1.9819 at X =  29 Y =  12 maximum rho =         3.5418 at X =  30 Y =  15
  Section Z = 131 minimum rho =        -1.6285 at X =  53 Y =  14 maximum rho =         2.4913 at X =  74 Y =  37
  Section Z = 132 minimum rho =        -2.0219 at X =  26 Y =  52 maximum rho =         2.1938 at X =  44 Y =  61
  Section Z = 133 minimum rho =        -5.5351 at X =  26 Y =  52 maximum rho =         3.6477 at X =  24 Y =  54
  Section Z = 134 minimum rho =        -2.7021 at X =   0 Y =   0 maximum rho =        15.9526 at X =  26 Y =  52
  Section Z = 135 minimum rho =        -5.3606 at X =  26 Y =  49 maximum rho =        66.0039 at X =  26 Y =  52
  Section Z = 136 minimum rho =        -7.5102 at X =  26 Y =  49 maximum rho =        94.8099 at X =  26 Y =  52
  Section Z = 137 minimum rho =        -5.3606 at X =  26 Y =  49 maximum rho =        66.0039 at X =  26 Y =  52
  Section Z = 138 minimum rho =        -2.7021 at X =  52 Y =  26 maximum rho =        15.9526 at X =  26 Y =  52
  Section Z = 139 minimum rho =        -5.5351 at X =  26 Y =  52 maximum rho =         3.6477 at X =  28 Y =  56
  Section Z = 140 minimum rho =        -2.0219 at X =  26 Y =  52 maximum rho =         2.1938 at X =  35 Y =  70
  Section Z = 141 minimum rho =        -1.6285 at X =  13 Y =  12 maximum rho =         2.4913 at X =  11 Y =  22
  Section Z = 142 minimum rho =        -1.9819 at X =  23 Y =   9 maximum rho =         3.5418 at X =  67 Y =  11
  Section Z = 143 minimum rho =        -1.8857 at X =  29 Y =  58 maximum rho =         7.5005 at X =  22 Y =  11
  Section Z = 144 minimum rho =        -2.5010 at X =  68 Y =  34 maximum rho =         8.3145 at X =  22 Y =  11
  Section Z = 145 minimum rho =        -2.0391 at X =  59 Y =  32 maximum rho =         3.8005 at X =  22 Y =  11
  Section Z = 146 minimum rho =        -2.0986 at X =  36 Y =  42 maximum rho =         3.3386 at X =  52 Y =  26
  Section Z = 147 minimum rho =        -1.7687 at X =  42 Y =  35 maximum rho =         2.3965 at X =  46 Y =  23
  Section Z = 148 minimum rho =        -2.0387 at X =  49 Y =  25 maximum rho =         3.4767 at X =  45 Y =  25
  Section Z = 149 minimum rho =        -1.8678 at X =  24 Y =  27 maximum rho =         3.4339 at X =   0 Y =  50
  Section Z = 150 minimum rho =        -2.4858 at X =  44 Y =  22 maximum rho =         3.3752 at X =  52 Y =  26
  Section Z = 151 minimum rho =        -1.9693 at X =  44 Y =  22 maximum rho =         1.9442 at X =   0 Y =   0
  Section Z = 152 minimum rho =        -2.0667 at X =  46 Y =  33 maximum rho =         2.1749 at X =  26 Y =  52
  Section Z = 153 minimum rho =        -1.9470 at X =  46 Y =  33 maximum rho =         2.3706 at X =  26 Y =  52
  Section Z = 154 minimum rho =        -1.9510 at X =  49 Y =  20 maximum rho =         1.7609 at X =  19 Y =   9
  Section Z = 155 minimum rho =        -2.2233 at X =  49 Y =  20 maximum rho =         3.6574 at X =   0 Y =   0
  Section Z = 156 minimum rho =        -2.2118 at X =  42 Y =  37 maximum rho =         3.5362 at X =  66 Y =  62
  Section Z = 157 minimum rho =        -1.8346 at X =  30 Y =   2 maximum rho =         2.5030 at X =  16 Y =  12
  Section Z = 158 minimum rho =        -1.6872 at X =   6 Y =  73 maximum rho =         1.9600 at X =  73 Y =  69
  Section Z = 159 minimum rho =        -1.8389 at X =  73 Y =   7 maximum rho =         1.7523 at X =  29 Y =  21
  Section Z = 160 minimum rho =        -1.7350 at X =  45 Y =  33 maximum rho =         1.8117 at X =  16 Y =  47
  Section Z = 161 minimum rho =        -1.3633 at X =  75 Y =  72 maximum rho =         1.8223 at X =  31 Y =  62
  Section Z = 162 minimum rho =        -1.5136 at X =  45 Y =  31 maximum rho =         1.8472 at X =   0 Y =   0
  Section Z = 163 minimum rho =        -1.4611 at X =  32 Y =  64 maximum rho =         2.7939 at X =   0 Y =   0
  Section Z = 164 minimum rho =        -1.7739 at X =  57 Y =  21 maximum rho =         1.9149 at X =   0 Y =   0
  Section Z = 165 minimum rho =        -1.7094 at X =  26 Y =  52 maximum rho =         2.1605 at X =  49 Y =  20
  Section Z = 166 minimum rho =        -2.0420 at X =  26 Y =  52 maximum rho =         2.2562 at X =  52 Y =  26
  Section Z = 167 minimum rho =        -1.8044 at X =  49 Y =  54 maximum rho =         2.5797 at X =  49 Y =  64
  Section Z = 168 minimum rho =        -1.7049 at X =  24 Y =  18 maximum rho =         3.3376 at X =  40 Y =   2
  Section Z = 169 minimum rho =        -1.5710 at X =  59 Y =  54 maximum rho =         2.6369 at X =  40 Y =   2
  Section Z = 170 minimum rho =        -1.4472 at X =  77 Y =  22 maximum rho =         1.5628 at X =  20 Y =  28
  Section Z = 171 minimum rho =        -1.5710 at X =  31 Y =  33 maximum rho =         2.6369 at X =  28 Y =  14
  Section Z = 172 minimum rho =        -1.7049 at X =  44 Y =  46 maximum rho =         3.3376 at X =  28 Y =  14
  Section Z = 173 minimum rho =        -1.8044 at X =  55 Y =  76 maximum rho =         2.5797 at X =  55 Y =  67
  Section Z = 174 minimum rho =        -2.0420 at X =   0 Y =   0 maximum rho =         2.2562 at X =  52 Y =  26
  Section Z = 175 minimum rho =        -1.7094 at X =   0 Y =   0 maximum rho =         2.1605 at X =  46 Y =  23
  Section Z = 176 minimum rho =        -1.7739 at X =  62 Y =  31 maximum rho =         1.9149 at X =  26 Y =  52
  Section Z = 177 minimum rho =        -1.4611 at X =  72 Y =   6 maximum rho =         2.7939 at X =  26 Y =  52
  Section Z = 178 minimum rho =        -1.5136 at X =  57 Y =  19 maximum rho =         1.8472 at X =  26 Y =  52
  Section Z = 179 minimum rho =        -1.3633 at X =  29 Y =  49 maximum rho =         1.8223 at X =  10 Y =   5
  Section Z = 180 minimum rho =        -1.7350 at X =  38 Y =  19 maximum rho =         1.8117 at X =  10 Y =   5
  Section Z = 181 minimum rho =        -1.8389 at X =  14 Y =  45 maximum rho =         1.7523 at X =  34 Y =   3
  Section Z = 182 minimum rho =        -1.6872 at X =  20 Y =  41 maximum rho =         1.9600 at X =  17 Y =  48
  Section Z = 183 minimum rho =        -1.8346 at X =  54 Y =  50 maximum rho =         2.5030 at X =  30 Y =  68
  Section Z = 184 minimum rho =        -2.2118 at X =  62 Y =  47 maximum rho =         3.5362 at X =  10 Y =  40
  Section Z = 185 minimum rho =        -2.2233 at X =  46 Y =  23 maximum rho =         3.6574 at X =  26 Y =  52
  Section Z = 186 minimum rho =        -1.9510 at X =  55 Y =  23 maximum rho =         1.7609 at X =  35 Y =  42
  Section Z = 187 minimum rho =        -1.9470 at X =  58 Y =  39 maximum rho =         2.3706 at X =   0 Y =   0
  Section Z = 188 minimum rho =        -2.0667 at X =  58 Y =  39 maximum rho =         2.1749 at X =   0 Y =   0
  Section Z = 189 minimum rho =        -1.9693 at X =  48 Y =  18 maximum rho =         1.9442 at X =  26 Y =  52
  Section Z = 190 minimum rho =        -2.4858 at X =  48 Y =  18 maximum rho =         3.3752 at X =  52 Y =  26
  Section Z = 191 minimum rho =        -1.8678 at X =  23 Y =  25 maximum rho =         3.4339 at X =  76 Y =  24
  Section Z = 192 minimum rho =        -2.0387 at X =  55 Y =  28 maximum rho =         3.4767 at X =  51 Y =  19
  Section Z = 193 minimum rho =        -1.7687 at X =  61 Y =  45 maximum rho =         2.3965 at X =  49 Y =  20
  Section Z = 194 minimum rho =        -2.0986 at X =  68 Y =  10 maximum rho =         3.3386 at X =  52 Y =  26
  Section Z = 195 minimum rho =        -2.0391 at X =  53 Y =  20 maximum rho =         3.8005 at X =  37 Y =  41
  Section Z = 196 minimum rho =        -2.5010 at X =  36 Y =  18 maximum rho =         8.3145 at X =  37 Y =  41
  Section Z = 197 minimum rho =        -1.8857 at X =  75 Y =  72 maximum rho =         7.5005 at X =  37 Y =  41
  Section Z = 198 minimum rho =        -1.9819 at X =   3 Y =  38 maximum rho =         3.5418 at X =  37 Y =  41
  Section Z = 199 minimum rho =        -1.6285 at X =  27 Y =  40 maximum rho =         2.4913 at X =  15 Y =  30
  Section Z = 200 minimum rho =        -2.0219 at X =   0 Y =   0 maximum rho =         2.1938 at X =  18 Y =   9
  Section Z = 201 minimum rho =        -5.5351 at X =   0 Y =   0 maximum rho =         3.6477 at X =  76 Y =  74
  Section Z = 202 minimum rho =        -2.7021 at X =  52 Y =  26 maximum rho =        15.9526 at X =   0 Y =   0
  Section Z = 203 minimum rho =        -5.3606 at X =   0 Y =  75 maximum rho =        66.0039 at X =   0 Y =   0

   Minimum density in map  =       -7.51018   Maximum density         =       94.80994
   Mean density            =        0.00000
   Rms deviation from mean =        0.77457



 Overall maximum rho =         94.8099 on section Z = 136 at X =  26 Y =  52


 Overall minimum rho =         -7.5102 on section Z =  68 at X =  52 Y =  23

  Average density on this map is          0.00000000

  (Q)QOPEN: file opened on unit  3      Status: READONLY

 Logical Name: MAPOUT      Filename: /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map



  File name for input map file on unit   1 : /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map
                               file size = 4968448  ;  logical name MAPOUT


           Number of columns, rows, sections ...............   78   78  204
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0   77    0   77    0  203
           Grid sampling on x, y, z ........................   78   78  204
           Cell dimensions .................................  58.44070  58.44070 156.16071  90.00000  90.00000 120.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -7.51018
           Maximum density .................................    94.80994
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.77457
           Space-group .....................................  166
           Number of titles ................................    1

 Titles :
           anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)      


 FFT:  Normal termination
 Times: User:       1.0s System:    0.1s Elapsed:    0:02





1###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 4.2: PEAKMAX            version 4.2       : 02/10/02##
 ###############################################################
 User: mgwt  Run date: 12/ 6/03  Run time:14:07:27


 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.




  (Q)QOPEN: file opened on unit  1      Status: READONLY

 Logical Name: MAPIN      Filename: /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map



  File name for input map file on unit   3 : /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map
                               file size = 4968448  ;  logical name MAPIN


           Number of columns, rows, sections ...............   78   78  204
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0   77    0   77    0  203
           Grid sampling on x, y, z ........................   78   78  204
           Cell dimensions .................................  58.44070  58.44070 156.16071  90.00000  90.00000 120.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -7.51018
           Maximum density .................................    94.80994
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.77457
           Space-group .....................................  166
           Number of titles ................................    1

 Titles :
           anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)      

  Symmetry operations:  X,Y,Z
  Symmetry operations:  -Y,X-Y,Z
  Symmetry operations:  Y-X,-X,Z
  Symmetry operations:  Y,X,-Z
  Symmetry operations:  X-Y,-Y,-Z
  Symmetry operations:  -X,Y-X,-Z
  Symmetry operations:  -X,-Y,-Z
  Symmetry operations:  Y,Y-X,-Z
  Symmetry operations:  X-Y,X,-Z
  Symmetry operations:  -Y,-X,Z
  Symmetry operations:  Y-X,Y,Z
  Symmetry operations:  X,X-Y,Z
  Symmetry operations:  2/3+X,1/3+Y,1/3+Z
  Symmetry operations:  2/3-Y,1/3+X-Y,1/3+Z
  Symmetry operations:  2/3+Y-X,1/3-X,1/3+Z
  Symmetry operations:  2/3+Y,1/3+X,1/3-Z
  Symmetry operations:  2/3+X-Y,1/3-Y,1/3-Z
  Symmetry operations:  2/3-X,1/3+Y-X,1/3-Z
  Symmetry operations:  2/3-X,1/3-Y,1/3-Z
  Symmetry operations:  2/3+Y,1/3+Y-X,1/3-Z
  Symmetry operations:  2/3+X-Y,1/3+X,1/3-Z
  Symmetry operations:  2/3-Y,1/3-X,1/3+Z
  Symmetry operations:  2/3+Y-X,1/3+Y,1/3+Z
  Symmetry operations:  2/3+X,1/3+X-Y,1/3+Z
  Symmetry operations:  1/3+X,2/3+Y,2/3+Z
  Symmetry operations:  1/3-Y,2/3+X-Y,2/3+Z
  Symmetry operations:  1/3+Y-X,2/3-X,2/3+Z
  Symmetry operations:  1/3+Y,2/3+X,2/3-Z
  Symmetry operations:  1/3+X-Y,2/3-Y,2/3-Z
  Symmetry operations:  1/3-X,2/3+Y-X,2/3-Z
  Symmetry operations:  1/3-X,2/3-Y,2/3-Z
  Symmetry operations:  1/3+Y,2/3+Y-X,2/3-Z
  Symmetry operations:  1/3+X-Y,2/3+X,2/3-Z
  Symmetry operations:  1/3-Y,2/3-X,2/3+Z
  Symmetry operations:  1/3+Y-X,2/3+Y,2/3+Z
  Symmetry operations:  1/3+X,2/3+X-Y,2/3+Z
 Data line--- threshhold     rms     4.0
 Data line--- numpeaks 100
 Data line--- output brookhaven frac
 Data line--- residue WAT
 Data line--- atname OW
 Data line--- chain X
 Comment line--- ## This script run with the command   ##########
 Comment line--- # peakmax MAPIN /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map XYZOUT /y/people/mgwt/TEST/hg_a_1to84_h32_peaks1.
 pdb XYZFRC /y/people/mgwt/TEST/2003test_16_peaks.ha
 Comment line--- ################################################

 Find   100 highest peaks above    3.098


 Orthogonalisation code 1: A // XO, C* // ZO (Standard Brookhaven) 


  STANDARD PDB COORDINATE SETTING WILL BE ASSUMED
  IF NO SCALE CARDS PRESENT  IN  INPUT  COORDINATE  FILE

 Transformation matrix    Fractional to orthogonal

    58.4407  -29.2203    0.0002
     0.0000   50.6112    0.0003
     0.0000    0.0000  156.1607

 Entire map is to be searched


 FORMATTED      UNKNOWN file opened on unit   2

 Logical name: XYZFRC, Filename: /y/people/mgwt/TEST/2003test_16_peaks.ha



 FORMATTED      OLD     file opened on unit   7

 Logical name: SYMOP, Filename: /y/programs/xtal/ccp4-4.2.2-mar/lib/data/symop.lib



 FORMATTED      UNKNOWN file opened on unit   7

 Logical name: XYZOUT, Filename: /y/people/mgwt/TEST/hg_a_1to84_h32_peaks1.pdb



 List of peaks in order of location
 ==================================

 Peaks related by symmetry are assigned the same site number

 Count Site Height        Grid         Fractional coordinates   Orthogonal coordinates

   1   1         94.81     0   0   0   0.0000  0.0000  0.0000     0.00   0.00   0.00
   2   1         63.75    77   0   0   0.9872  0.0000  0.0000    57.69   0.00   0.00
   3   2          7.16    25   5   0   0.3173  0.0656  0.0000    16.63   3.32   0.00
   4   2          7.16    58   5   0   0.7468  0.0627  0.0000    41.81   3.17   0.00
   5   2          7.16    25  20   0   0.3191  0.2549  0.0000    11.20  12.90   0.00
   6   2          7.16    73  20   0   0.9373  0.2532  0.0000    47.38  12.82   0.00
   7   2          7.16     5  25   0   0.0656  0.3173  0.0000    -5.44  16.06   0.00
   8   2          7.16    20  25   0   0.2549  0.3191  0.0000     5.58  16.15   0.00
   9   2          7.16    58  53   0   0.7451  0.6809  0.0000    23.64  34.46   0.00
  10   2          7.16    73  53   0   0.9344  0.6827  0.0000    34.66  34.55   0.00
  11   2          7.16     5  58   0   0.0627  0.7468  0.0000   -18.16  37.79   0.00
  12   2          7.16    53  58   0   0.6809  0.7451  0.0000    18.02  37.71   0.00
  13   2          7.16    20  73   0   0.2532  0.9373  0.0000   -12.59  47.44   0.00
  14   2          7.16    53  73   0   0.6827  0.9344  0.0000    12.59  47.29   0.00
  15   1         63.75     0  77   0   0.0000  0.9872  0.0000   -28.85  49.96   0.00
  16   1         63.75    77  77   0   0.9872  0.9872  0.0000    28.85  49.96   0.00
  17   3          3.22     8  16   1   0.1026  0.2100  0.0033    -0.14  10.63   0.51
  18   3          3.22     8  70   1   0.1074  0.8926  0.0033   -19.80  45.17   0.51
  19   3          3.22    62  70   1   0.7900  0.8974  0.0033    19.94  45.42   0.51
  20   4          3.90     3   5   2   0.0321  0.0616  0.0092     0.07   3.12   1.44
  21   4          3.90     2  75   2   0.0231  0.9649  0.0092   -26.84  48.84   1.44
  22   4          3.90    73  76   2   0.9393  0.9679  0.0092    26.61  48.99   1.44
  23   5          8.31    41   4   8   0.5256  0.0486  0.0375    29.30   2.46   5.86
  24   6          7.35    16  32   8   0.2051  0.4126  0.0369    -0.07  20.88   5.76
  25   5          8.31    41  37   8   0.5230  0.4770  0.0375    16.62  24.14   5.86
  26   5          8.31    74  37   8   0.9514  0.4744  0.0375    41.74  24.01   5.86
  27   7          7.69    21  42   8   0.2692  0.5390  0.0376    -0.02  27.28   5.88
  28   7          7.69    21  57   8   0.2698  0.7302  0.0376    -5.57  36.96   5.88
  29   7          7.69    36  57   8   0.4610  0.7308  0.0376     5.59  36.99   5.88
  30   6          7.35    16  62   8   0.2075  0.7925  0.0369   -11.03  40.11   5.76
  31   6          7.35    46  62   8   0.5874  0.7949  0.0369    11.10  40.23   5.76
  32   8          3.34    26  52  10   0.3333  0.6667  0.0481     0.00  33.74   7.52
  33   9          3.48    19  46  12   0.2404  0.5941  0.0597    -3.31  30.07   9.32
  34   9          3.48    27  46  12   0.3493  0.5898  0.0597     3.18  29.85   9.32
  35   9          3.48    19  51  12   0.2437  0.6495  0.0597    -4.74  32.87   9.32
  36   9          3.48    32  51  12   0.4102  0.6507  0.0597     4.96  32.93   9.32
  37   9          3.48    27  59  12   0.3505  0.7563  0.0597    -1.62  38.28   9.32
  38   9          3.48    32  59  12   0.4059  0.7596  0.0597     1.53  38.44   9.32
  39  10          3.43     2  26  13   0.0277  0.3311  0.0614    -8.06  16.76   9.58
  40  10          3.43    24  26  13   0.3057  0.3335  0.0614     8.12  16.88   9.58
  41  10          3.43     2  54  13   0.0258  0.6945  0.0614   -18.79  35.15   9.58
  42  10          3.43    52  54  13   0.6665  0.6943  0.0614    18.66  35.14   9.58
  43  10          3.43    24  76  13   0.3055  0.9742  0.0614   -10.62  49.31   9.58
  44  10          3.43    52  76  13   0.6689  0.9723  0.0614    10.68  49.21   9.58
  45  11          3.38    26  52  14   0.3333  0.6667  0.0672     0.00  33.74  10.49
  46  12          3.66    52  26  19   0.6667  0.3333  0.0948    29.22  16.87  14.81
  47  13          3.54    40  10  20   0.5146  0.1284  0.0982    26.32   6.50  15.33
  48  13          3.54    48  10  20   0.6136  0.1332  0.0982    31.97   6.74  15.33
  49  13          3.54    40  30  20   0.5178  0.3845  0.0982    19.03  19.46  15.33
  50  13          3.54    68  30  20   0.8668  0.3864  0.0982    39.37  19.55  15.33
  51  13          3.54    48  38  20   0.6155  0.4822  0.0982    21.88  24.40  15.33
  52  13          3.54    68  38  20   0.8716  0.4854  0.0982    36.76  24.57  15.33
  53  14          3.34    14  28  32   0.1795  0.3541  0.1575     0.14  17.92  24.59
  54  14          3.34    14  64  32   0.1746  0.8254  0.1575   -13.92  41.78  24.59
  55  14          3.34    50  64  32   0.6459  0.8205  0.1575    13.77  41.53  24.59
  56  14          3.34     2  40  36   0.0207  0.5128  0.1759   -13.77  25.95  27.46
  57  14          3.34    38  40  36   0.4921  0.5079  0.1759    13.92  25.71  27.46
  58  14          3.34    38  76  36   0.4872  0.9793  0.1759    -0.14  49.56  27.46
  59  13          3.54     4  16  48   0.0530  0.2001  0.2351    -2.75  10.13  36.72
  60  13          3.54    12  16  48   0.1521  0.2050  0.2351     2.90  10.37  36.72
  61  13          3.54     4  66  48   0.0511  0.8512  0.2351   -21.88  43.08  36.72
  62  13          3.54    62  66  48   0.7950  0.8479  0.2351    21.69  42.91  36.72
  63  13          3.54    12  74  48   0.1488  0.9489  0.2351   -19.03  48.02  36.72
  64  13          3.54    62  74  48   0.7999  0.9470  0.2351    19.08  47.93  36.72
  65  12          3.66     0   0  49   0.0000  0.0000  0.2385     0.00   0.00  37.24
  66  11          3.38    26  52  54   0.3333  0.6667  0.2662     0.00  33.74  41.57
  67  10          3.43    28   0  55   0.3610  0.0000  0.2720    21.10   0.00  42.47
  68  10          3.43    50   0  55   0.6390  0.0000  0.2720    37.34   0.00  42.47
  69  10          3.43     0  28  55   0.0000  0.3610  0.2720   -10.55  18.27  42.47
  70  10          3.43    28  28  55   0.3612  0.3591  0.2720    10.62  18.18  42.47
  71  10          3.43     0  50  55   0.0000  0.6390  0.2720   -18.67  32.34  42.47
  72  10          3.43    50  50  55   0.6409  0.6388  0.2720    18.79  32.33  42.47
  73   9          3.48    20  45  56   0.2607  0.5737  0.2736    -1.53  29.04  42.73
  74   9          3.48    25  45  56   0.3162  0.5770  0.2736     1.62  29.20  42.73
  75   9          3.48    20  53  56   0.2565  0.6827  0.2736    -4.96  34.55  42.73
  76   9          3.48    33  53  56   0.4230  0.6838  0.2736     4.74  34.61  42.73
  77   9          3.48    25  58  56   0.3173  0.7435  0.2736    -3.18  37.63  42.73
  78   9          3.48    33  58  56   0.4263  0.7393  0.2736     3.31  37.42  42.73
  79   8          3.34    26  52  58   0.3333  0.6667  0.2852     0.00  33.74  44.54
  80   5          8.31    11  22  60   0.1410  0.2847  0.2958    -0.08  14.41  46.20
  81   6          7.35     6  42  60   0.0793  0.5385  0.2965   -11.10  27.25  46.30
  82   6          7.35    36  42  60   0.4591  0.5409  0.2965    11.03  27.37  46.30
  83   7          7.69    16  47  60   0.2057  0.6026  0.2957    -5.59  30.50  46.18
  84   7          7.69    31  47  60   0.3969  0.6031  0.2957     5.57  30.52  46.18
  85   7          7.69    31  62  60   0.3974  0.7943  0.2957     0.02  40.20  46.18
  86   5          8.31    11  67  60   0.1437  0.8563  0.2958   -16.62  43.34  46.20
  87   5          8.31    56  67  60   0.7153  0.8590  0.2958    16.70  43.47  46.20
  88   6          7.35    36  72  60   0.4615  0.9207  0.2965     0.07  46.60  46.30
  89   4          3.90    50  21  66   0.6346  0.2726  0.3241    29.12  13.80  50.62
  90   4          3.90    50  29  66   0.6436  0.3684  0.3241    26.84  18.65  50.62
  91   4          3.90    57  29  66   0.7282  0.3654  0.3241    31.88  18.49  50.62
  92   3          3.22    44  10  67   0.5641  0.1233  0.3301    29.36   6.24  51.54
  93   3          3.22    44  34  67   0.5592  0.4408  0.3301    19.80  22.31  51.54
  94   3          3.22    68  34  67   0.8767  0.4359  0.3301    38.50  22.06  51.54
  95   2          7.16    32   1  68   0.4117  0.0142  0.3333    23.64   0.72  52.05
  96   2          7.16    47   1  68   0.6011  0.0160  0.3333    34.66   0.81  52.05
  97   2          7.16    27   6  68   0.3476  0.0784  0.3333    18.02   3.97  52.05
  98   2          7.16    57   6  68   0.7293  0.0801  0.3333    40.28   4.05  52.05
  99   2          7.16    27  21  68   0.3493  0.2678  0.3333    12.59  13.55  52.05
 100   2          7.16    72  21  68   0.9199  0.2707  0.3333    45.85  13.70  52.05
 101   1         94.81    52  26  68   0.6667  0.3333  0.3333    29.22  16.87  52.05
 102   2          7.16    32  31  68   0.4134  0.3960  0.3333    12.59  20.04  52.05
 103   2          7.16    77  31  68   0.9872  0.3989  0.3333    46.04  20.19  52.05
 104   2          4.57     0  32  68   0.0000  0.4050  0.3335   -11.83  20.50  52.09
 105   2          4.57     0  46  68   0.0000  0.5950  0.3335   -17.39  30.12  52.09
 106   2          7.16    47  46  68   0.6040  0.5866  0.3333    18.16  29.69  52.05
 107   2          7.16    77  46  68   0.9872  0.5883  0.3333    40.50  29.77  52.05
 108   2          7.16    57  51  68   0.7322  0.6507  0.3333    23.78  32.93  52.05
 109   2          7.16    72  51  68   0.9216  0.6524  0.3333    34.80  33.02  52.05
 110   3          3.22    36  18  69   0.4567  0.2308  0.3366    19.94  11.68  52.56
 111   3          3.22    60  18  69   0.7741  0.2259  0.3366    38.64  11.43  52.56
 112   3          3.22    60  42  69   0.7692  0.5433  0.3366    29.08  27.50  52.56
 113   4          3.90    54  23  70   0.6898  0.2982  0.3425    31.60  15.09  53.49
 114   4          3.90    47  24  70   0.6059  0.3013  0.3425    26.61  15.25  53.49
 115   4          3.90    55  31  70   0.6987  0.3941  0.3425    29.32  19.94  53.49
 116   4          3.90    55  31  70   0.6987  0.3949  0.3425    29.29  19.99  53.49
 117   7          7.69    10   5  76   0.1277  0.0641  0.3710     5.59   3.24  57.93
 118   7          7.69    73   5  76   0.9364  0.0636  0.3710    52.87   3.22  57.93
 119   6          7.35    20  10  76   0.2540  0.1282  0.3702    11.10   6.49  57.81
 120   6          7.35    68  10  76   0.8742  0.1258  0.3702    47.41   6.37  57.81
 121   5          8.31    15  30  76   0.1923  0.3819  0.3708     0.08  19.33  57.91
 122   6          7.35    68  58  76   0.8718  0.7460  0.3702    29.15  37.76  57.81
 123   5          8.31    15  63  76   0.1896  0.8104  0.3708   -12.60  41.01  57.91
 124   5          8.31    48  63  76   0.6181  0.8077  0.3708    12.52  40.88  57.91
 125   7          7.69    73  68  76   0.9359  0.8723  0.3710    29.20  44.15  57.93
 126   8          3.34     0   0  78   0.0000  0.0000  0.3815     0.00   0.00  59.57
 127   9          3.48     1   7  80   0.0171  0.0897  0.3930    -1.62   4.54  61.38
 128   9          3.48     6   7  80   0.0726  0.0929  0.3930     1.53   4.70  61.38
 129   9          3.48     1  72  80   0.0160  0.9232  0.3930   -26.04  46.72  61.38
 130   9          3.48    71  72  80   0.9071  0.9274  0.3930    25.91  46.94  61.38
 131   9          3.48     6  77  80   0.0768  0.9872  0.3930   -24.36  49.96  61.38
 132   9          3.48    71  77  80   0.9103  0.9872  0.3930    24.36  49.96  61.38
 133  10          3.43    26   2  81   0.3332  0.0277  0.3947    18.66   1.40  61.64
 134  10          3.43    54   2  81   0.6925  0.0279  0.3947    39.65   1.41  61.64
 135  10          3.43    26  24  81   0.3356  0.3057  0.3947    10.68  15.47  61.64
 136  10          3.43    76  24  81   0.9721  0.3075  0.3947    47.83  15.56  61.64
 137  10          3.43    54  52  81   0.6943  0.6644  0.3947    21.16  33.63  61.64
 138  10          3.43    76  52  81   0.9723  0.6668  0.3947    37.34  33.75  61.64
 139  11          3.38     0   0  82   0.0000  0.0000  0.4005     0.00   0.00  62.54
 140  12          3.66    26  52  87   0.3333  0.6667  0.4282     0.00  33.74  66.86
 141  13          3.54    14  36  88   0.1812  0.4617  0.4315    -2.90  23.37  67.39
 142  13          3.54    22  36  88   0.2803  0.4666  0.4315     2.75  23.61  67.39
 143  13          3.54    14  56  88   0.1845  0.7178  0.4315   -10.19  36.33  67.39
 144  13          3.54    42  56  88   0.5334  0.7197  0.4315    10.15  36.43  67.39
 145  13          3.54    22  64  88   0.2822  0.8155  0.4315    -7.34  41.27  67.39
 146  13          3.54    42  64  88   0.5383  0.8188  0.4315     7.54  41.44  67.39
 147  14          3.34    24  12 100   0.3126  0.1538  0.4908    13.77   7.79  76.64
 148  14          3.34    66  12 100   0.8412  0.1588  0.4908    44.52   8.03  76.64
 149  14          3.34    66  54 100   0.8462  0.6874  0.4908    29.36  34.79  76.64
 150  14          3.34    12  24 104   0.1538  0.3126  0.5092    -0.14  15.82  79.52
 151  14          3.34    12  66 104   0.1588  0.8412  0.5092   -15.30  42.58  79.52
 152  14          3.34    54  66 104   0.6874  0.8462  0.5092    15.45  42.83  79.52
 153  13          3.54    36  14 116   0.4617  0.1812  0.5685    21.69   9.17  88.77
 154  13          3.54    56  14 116   0.7178  0.1845  0.5685    36.56   9.34  88.77
 155  13          3.54    36  22 116   0.4666  0.2803  0.5685    19.08  14.19  88.77
 156  13          3.54    64  22 116   0.8155  0.2822  0.5685    39.41  14.28  88.77
 157  13          3.54    56  42 116   0.7197  0.5334  0.5685    26.47  27.00  88.77
 158  13          3.54    64  42 116   0.8188  0.5383  0.5685    32.12  27.25  88.77
 159  12          3.66    52  26 117   0.6667  0.3333  0.5718    29.22  16.87  89.30
 160  11          3.38     0   0 122   0.0000  0.0000  0.5995     0.00   0.00  93.62
 161  10          3.43     2  26 123   0.0277  0.3332  0.6053    -8.12  16.86  94.53
 162  10          3.43    24  26 123   0.3057  0.3356  0.6053     8.06  16.98  94.53
 163  10          3.43     2  54 123   0.0279  0.6925  0.6053   -18.60  35.05  94.53
 164  10          3.43    52  54 123   0.6644  0.6943  0.6053    18.54  35.14  94.53
 165  10          3.43    24  76 123   0.3075  0.9721  0.6053   -10.43  49.20  94.53
 166  10          3.43    52  76 123   0.6668  0.9723  0.6053    10.56  49.21  94.53
 167   9          3.48     7   1 124   0.0897  0.0171  0.6070     4.74   0.87  94.78
 168   9          3.48    72   1 124   0.9232  0.0160  0.6070    53.48   0.81  94.78
 169   9          3.48     7   6 124   0.0929  0.0726  0.6070     3.31   3.67  94.78
 170   9          3.48    77   6 124   0.9872  0.0768  0.6070    55.45   3.89  94.78
 171   9          3.48    72  71 124   0.9274  0.9071  0.6070    27.69  45.91  94.78
 172   9          3.48    77  71 124   0.9872  0.9103  0.6070    31.09  46.07  94.78
 173   8          3.34     0   0 126   0.0000  0.0000  0.6185     0.00   0.00  96.59
 174   7          7.69     5  10 128   0.0641  0.1277  0.6290     0.02   6.46  98.23
 175   5          8.31    30  15 128   0.3819  0.1923  0.6292    16.70   9.73  98.25
 176   5          8.31    63  15 128   0.8104  0.1896  0.6292    41.82   9.60  98.25
 177   6          7.35    10  20 128   0.1282  0.2540  0.6298     0.07  12.86  98.35
 178   5          8.31    63  48 128   0.8077  0.6181  0.6292    29.14  31.28  98.25
 179   6          7.35    10  68 128   0.1258  0.8742  0.6298   -18.19  44.24  98.35
 180   6          7.35    58  68 128   0.7460  0.8718  0.6298    18.12  44.12  98.35
 181   7          7.69     5  73 128   0.0636  0.9364  0.6290   -23.65  47.39  98.23
 182   7          7.69    68  73 128   0.8723  0.9359  0.6290    23.63  47.37  98.23
 183   4          3.90    24  47 134   0.3013  0.6051  0.6575    -0.07  30.62 102.67
 184   4          3.90    23  47 134   0.3013  0.6059  0.6575    -0.10  30.67 102.67
 185   4          3.90    23  54 134   0.2982  0.6898  0.6575    -2.73  34.91 102.67
 186   4          3.90    31  55 134   0.3949  0.6987  0.6575     2.66  35.36 102.67
 187   3          3.22    18  36 135   0.2308  0.4567  0.6634     0.14  23.11 103.60
 188   3          3.22    18  60 135   0.2259  0.7741  0.6634    -9.42  39.18 103.60
 189   3          3.22    42  60 135   0.5433  0.7692  0.6634     9.28  38.93 103.60
 190   2          4.57    32   0 136   0.4050  0.0000  0.6665    23.67   0.00 104.07
 191   2          4.57    46   0 136   0.5950  0.0000  0.6665    34.78   0.00 104.07
 192   2          7.16     6  27 136   0.0784  0.3476  0.6667    -5.58  17.59 104.11
 193   2          7.16    21  27 136   0.2678  0.3493  0.6667     5.44  17.68 104.11
 194   2          7.16     1  32 136   0.0142  0.4117  0.6667   -11.20  20.84 104.11
 195   2          7.16    31  32 136   0.3960  0.4134  0.6667    11.06  20.92 104.11
 196   2          7.16     1  47 136   0.0160  0.6011  0.6667   -16.63  30.42 104.11
 197   2          7.16    46  47 136   0.5866  0.6040  0.6667    16.63  30.57 104.11
 198   1         94.81    26  52 136   0.3333  0.6667  0.6667     0.00  33.74 104.11
 199   2          7.16     6  57 136   0.0801  0.7293  0.6667   -16.63  36.91 104.11
 200   2          7.16    51  57 136   0.6507  0.7322  0.6667    16.63  37.06 104.11
 201   2          7.16    21  72 136   0.2707  0.9199  0.6667   -11.06  46.56 104.11
 202   2          7.16    51  72 136   0.6524  0.9216  0.6667    11.20  46.64 104.11
 203   2          7.16    31  77 136   0.3989  0.9872  0.6667    -5.53  49.96 104.11
 204   2          7.16    46  77 136   0.5883  0.9872  0.6667     5.53  49.96 104.11
 205   3          3.22    10  44 137   0.1233  0.5641  0.6699    -9.28  28.55 104.62
 206   3          3.22    34  44 137   0.4408  0.5592  0.6699     9.42  28.30 104.62
 207   3          3.22    34  68 137   0.4359  0.8767  0.6699    -0.14  44.37 104.62
 208   4          3.90    28  49 138   0.3564  0.6316  0.6759     2.38  31.97 105.54
 209   4          3.90    21  50 138   0.2726  0.6346  0.6759    -2.61  32.12 105.54
 210   4          3.90    29  50 138   0.3684  0.6436  0.6759     2.73  32.57 105.54
 211   4          3.90    29  57 138   0.3654  0.7282  0.6759     0.07  36.86 105.54
 212   6          7.35    42   6 144   0.5385  0.0793  0.7035    29.15   4.01 109.86
 213   5          8.31    22  11 144   0.2847  0.1410  0.7042    12.52   7.14 109.97
 214   5          8.31    67  11 144   0.8563  0.1437  0.7042    45.84   7.27 109.97
 215   7          7.69    47  16 144   0.6026  0.2057  0.7043    29.20  10.41 109.98
 216   7          7.69    47  31 144   0.6031  0.3969  0.7043    23.65  20.09 109.98
 217   7          7.69    62  31 144   0.7943  0.3974  0.7043    34.81  20.11 109.98
 218   6          7.35    42  36 144   0.5409  0.4591  0.7035    18.19  23.24 109.86
 219   6          7.35    72  36 144   0.9207  0.4615  0.7035    40.32  23.36 109.86
 220   5          8.31    67  56 144   0.8590  0.7153  0.7042    29.30  36.20 109.97
 221   8          3.34    52  26 146   0.6667  0.3333  0.7148    29.22  16.87 111.62
 222   9          3.48    45  20 148   0.5737  0.2607  0.7264    25.91  13.20 113.43
 223   9          3.48    53  20 148   0.6827  0.2565  0.7264    32.40  12.98 113.43
 224   9          3.48    45  25 148   0.5770  0.3162  0.7264    24.48  16.00 113.43
 225   9          3.48    58  25 148   0.7435  0.3173  0.7264    34.18  16.06 113.43
 226   9          3.48    53  33 148   0.6838  0.4230  0.7264    27.60  21.41 113.43
 227   9          3.48    58  33 148   0.7393  0.4263  0.7264    30.75  21.57 113.43
 228  10          3.43    28   0 149   0.3610  0.0000  0.7280    21.10   0.00 113.69
 229  10          3.43    50   0 149   0.6390  0.0000  0.7280    37.34   0.00 113.69
 230  10          3.43     0  28 149   0.0000  0.3610  0.7280   -10.55  18.27 113.69
 231  10          3.43    28  28 149   0.3591  0.3612  0.7280    10.43  18.28 113.69
 232  10          3.43     0  50 149   0.0000  0.6390  0.7280   -18.67  32.34 113.69
 233  10          3.43    50  50 149   0.6388  0.6409  0.7280    18.61  32.44 113.69
 234  11          3.38    52  26 150   0.6667  0.3333  0.7338    29.22  16.87 114.59
 235  12          3.66     0   0 155   0.0000  0.0000  0.7615     0.00   0.00 118.92
 236  13          3.54    16   4 156   0.2001  0.0530  0.7649    10.15   2.68 119.44
 237  13          3.54    66   4 156   0.8512  0.0511  0.7649    48.25   2.59 119.44
 238  13          3.54    16  12 156   0.2050  0.1521  0.7649     7.54   7.70 119.44
 239  13          3.54    74  12 156   0.9489  0.1488  0.7649    51.10   7.53 119.44
 240  13          3.54    66  62 156   0.8479  0.7950  0.7649    26.32  40.24 119.44
 241  13          3.54    74  62 156   0.9470  0.7999  0.7649    31.97  40.48 119.44
 242  14          3.34    40   2 168   0.5128  0.0207  0.8241    29.36   1.05 128.70
 243  14          3.34    40  38 168   0.5079  0.4921  0.8241    15.30  24.91 128.70
 244  14          3.34    76  38 168   0.9793  0.4872  0.8241    42.99  24.66 128.70
 245  14          3.34    28  14 172   0.3541  0.1795  0.8425    15.45   9.08 131.57
 246  14          3.34    64  14 172   0.8254  0.1746  0.8425    43.14   8.84 131.57
 247  14          3.34    64  50 172   0.8205  0.6459  0.8425    29.08  32.69 131.57
 248  13          3.54    10  40 184   0.1284  0.5146  0.9018    -7.54  26.04 140.83
 249  13          3.54    30  40 184   0.3845  0.5178  0.9018     7.34  26.21 140.83
 250  13          3.54    10  48 184   0.1332  0.6136  0.9018   -10.14  31.06 140.83
 251  13          3.54    38  48 184   0.4822  0.6155  0.9018    10.19  31.15 140.83
 252  13          3.54    30  68 184   0.3864  0.8668  0.9018    -2.75  43.87 140.83
 253  13          3.54    38  68 184   0.4854  0.8716  0.9018     2.90  44.12 140.83
 254  12          3.66    26  52 185   0.3333  0.6667  0.9052     0.00  33.74 141.35
 255  11          3.38    52  26 190   0.6667  0.3333  0.9328    29.22  16.87 145.67
 256  10          3.43    26   2 191   0.3311  0.0277  0.9386    18.54   1.40 146.58
 257  10          3.43    54   2 191   0.6945  0.0258  0.9386    39.84   1.31 146.58
 258  10          3.43    26  24 191   0.3335  0.3057  0.9386    10.56  15.47 146.58
 259  10          3.43    76  24 191   0.9742  0.3055  0.9386    48.01  15.46 146.58
 260  10          3.43    54  52 191   0.6943  0.6665  0.9386    21.10  33.73 146.58
 261  10          3.43    76  52 191   0.9723  0.6689  0.9386    37.28  33.85 146.58
 262   9          3.48    46  19 192   0.5941  0.2404  0.9403    27.69  12.17 146.84
 263   9          3.48    51  19 192   0.6495  0.2437  0.9403    30.84  12.33 146.84
 264   9          3.48    46  27 192   0.5898  0.3493  0.9403    24.26  17.68 146.84
 265   9          3.48    59  27 192   0.7563  0.3505  0.9403    33.96  17.74 146.84
 266   9          3.48    51  32 192   0.6507  0.4102  0.9403    26.04  20.76 146.84
 267   9          3.48    59  32 192   0.7596  0.4059  0.9403    32.53  20.55 146.84
 268   8          3.34    52  26 194   0.6667  0.3333  0.9519    29.22  16.87 148.64
 269   6          7.35    32  16 196   0.4126  0.2051  0.9631    18.12  10.38 150.40
 270   6          7.35    62  16 196   0.7925  0.2075  0.9631    40.25  10.50 150.40
 271   7          7.69    42  21 196   0.5390  0.2692  0.9624    23.63  13.63 150.28
 272   7          7.69    57  21 196   0.7302  0.2698  0.9624    34.79  13.65 150.28
 273   7          7.69    57  36 196   0.7308  0.4610  0.9624    29.24  23.33 150.28
 274   5          8.31     4  41 196   0.0486  0.5256  0.9625   -12.52  26.60 150.30
 275   5          8.31    37  41 196   0.4770  0.5230  0.9625    12.60  26.47 150.30
 276   6          7.35    62  46 196   0.7949  0.5874  0.9631    29.29  29.73 150.40
 277   5          8.31    37  74 196   0.4744  0.9514  0.9625    -0.08  48.15 150.30
 278   4          3.90    75   2 202   0.9649  0.0231  0.9908    55.72   1.17 154.72
 279   4          3.90     5   3 202   0.0616  0.0321  0.9908     2.66   1.62 154.72
 280   4          3.90    75  73 202   0.9679  0.9384  0.9908    29.15  47.50 154.72
 281   4          3.90    76  73 202   0.9679  0.9393  0.9908    29.12  47.54 154.72
 282   1         66.00     0   0 203   0.0000  0.0000  0.9951     0.00   0.00 155.40
 283   1         42.92    77   0 203   0.9872  0.0000  0.9951    57.69   0.00 155.40
 284   2          4.61    25   5 203   0.3175  0.0658  0.9951    16.63   3.33 155.40
 285   2          4.61    58   5 203   0.7466  0.0623  0.9951    41.81   3.15 155.40
 286   3          3.22    16   8 203   0.2100  0.1026  0.9951     9.28   5.19 155.40
 287   3          3.22    70   8 203   0.8926  0.1074  0.9951    49.02   5.44 155.40
 288   2          4.61    25  20 203   0.3187  0.2547  0.9951    11.18  12.89 155.40
 289   2          4.61    73  20 203   0.9377  0.2534  0.9951    47.40  12.82 155.40
 290   2          4.63     5  25 203   0.0667  0.3163  0.9951    -5.35  16.01 155.40
 291   2          4.63    20  25 203   0.2539  0.3200  0.9951     5.48  16.20 155.40
 292   2          4.61    58  53 203   0.7453  0.6813  0.9951    23.65  34.48 155.40
 293   2          4.61    73  53 203   0.9342  0.6825  0.9951    34.65  34.54 155.40
 294   2          4.63     5  58 203   0.0636  0.7478  0.9951   -18.13  37.85 155.40
 295   2          4.63    53  58 203   0.6800  0.7461  0.9951    17.94  37.76 155.40
 296   3          3.22    70  62 203   0.8974  0.7900  0.9951    29.36  39.98 155.40
 297   2          4.63    20  73 203   0.2522  0.9364  0.9951   -12.62  47.39 155.40
 298   2          4.63    53  73 203   0.6837  0.9333  0.9951    12.68  47.24 155.40
 299   1         42.92     0  77 203   0.0000  0.9872  0.9951   -28.85  49.96 155.40
 300   1         42.92    77  77 203   0.9872  0.9872  0.9951    28.85  49.96 155.40



 There are   300 peaks higher than the threshold      3.09829 (   4.00000 *sigma)

 These peaks are sorted into descending order of height, the top 100 are selected for output
 The number of symmertry related peaks rejected for being too close to the map edge is   21
 Peaks related by symmetry are assigned the same site number

  Order No. Site Height/Rms    Grid      Fractional coordinates   Orthogonal coordinates

     1  198    1  122.40    26  52 136   0.3333  0.6667  0.6667     0.00  33.74 104.11
     2  101    1  122.40    52  26  68   0.6667  0.3333  0.3333    29.22  16.87  52.05
     3   26    5   10.73    74  37   8   0.9514  0.4744  0.0375    41.74  24.01   5.86
     4   80    5   10.73    11  22  60   0.1410  0.2847  0.2958    -0.08  14.41  46.20
     5   86    5   10.73    11  67  60   0.1437  0.8563  0.2958   -16.62  43.34  46.20
     6   87    5   10.73    56  67  60   0.7153  0.8590  0.2958    16.70  43.47  46.20
     7  124    5   10.73    48  63  76   0.6181  0.8077  0.3708    12.52  40.88  57.91
     8  178    5   10.73    63  48 128   0.8077  0.6181  0.6292    29.14  31.28  98.25
     9  213    5   10.73    22  11 144   0.2847  0.1410  0.7042    12.52   7.14 109.97
    10  214    5   10.73    67  11 144   0.8563  0.1437  0.7042    45.84   7.27 109.97
    11  275    5   10.73    37  41 196   0.4770  0.5230  0.9625    12.60  26.47 150.30
    12   23    5   10.73    41   4   8   0.5256  0.0486  0.0375    29.30   2.46   5.86
    13   25    5   10.73    41  37   8   0.5230  0.4770  0.0375    16.62  24.14   5.86
    14  121    5   10.73    15  30  76   0.1923  0.3819  0.3708     0.08  19.33  57.91
    15  176    5   10.73    63  15 128   0.8104  0.1896  0.6292    41.82   9.60  98.25
    16  123    5   10.73    15  63  76   0.1896  0.8104  0.3708   -12.60  41.01  57.91
    17  175    5   10.73    30  15 128   0.3819  0.1923  0.6292    16.70   9.73  98.25
    18  220    5   10.73    67  56 144   0.8590  0.7153  0.7042    29.30  36.20 109.97
    19  274    5   10.73     4  41 196   0.0486  0.5256  0.9625   -12.52  26.60 150.30
    20  277    5   10.73    37  74 196   0.4744  0.9514  0.9625    -0.08  48.15 150.30
    21   27    7    9.92    21  42   8   0.2692  0.5390  0.0376    -0.02  27.28   5.88
    22   85    7    9.92    31  62  60   0.3974  0.7943  0.2957     0.02  40.20  46.18
    23   28    7    9.92    21  57   8   0.2698  0.7302  0.0376    -5.57  36.96   5.88
    24   29    7    9.92    36  57   8   0.4610  0.7308  0.0376     5.59  36.99   5.88
    25   83    7    9.92    16  47  60   0.2057  0.6026  0.2957    -5.59  30.50  46.18
    26  215    7    9.92    47  16 144   0.6026  0.2057  0.7043    29.20  10.41 109.98
    27  216    7    9.92    47  31 144   0.6031  0.3969  0.7043    23.65  20.09 109.98
    28  217    7    9.92    62  31 144   0.7943  0.3974  0.7043    34.81  20.11 109.98
    29   84    7    9.92    31  47  60   0.3969  0.6031  0.2957     5.57  30.52  46.18
    30  272    7    9.92    57  21 196   0.7302  0.2698  0.9624    34.79  13.65 150.28
    31  271    7    9.92    42  21 196   0.5390  0.2692  0.9624    23.63  13.63 150.28
    32  117    7    9.92    10   5  76   0.1277  0.0641  0.3710     5.59   3.24  57.93
    33  118    7    9.92    73   5  76   0.9364  0.0636  0.3710    52.87   3.22  57.93
    34  125    7    9.92    73  68  76   0.9359  0.8723  0.3710    29.20  44.15  57.93
    35  174    7    9.92     5  10 128   0.0641  0.1277  0.6290     0.02   6.46  98.23
    36  181    7    9.92     5  73 128   0.0636  0.9364  0.6290   -23.65  47.39  98.23
    37  182    7    9.92    68  73 128   0.8723  0.9359  0.6290    23.63  47.37  98.23
    38  273    7    9.92    57  36 196   0.7308  0.4610  0.9624    29.24  23.33 150.28
    39   82    6    9.49    36  42  60   0.4591  0.5409  0.2965    11.03  27.37  46.30
    40  276    6    9.49    62  46 196   0.7949  0.5874  0.9631    29.29  29.73 150.40
    41  120    6    9.49    68  10  76   0.8742  0.1258  0.3702    47.41   6.37  57.81
    42  122    6    9.49    68  58  76   0.8718  0.7460  0.3702    29.15  37.76  57.81
    43  177    6    9.49    10  20 128   0.1282  0.2540  0.6298     0.07  12.86  98.35
    44  179    6    9.49    10  68 128   0.1258  0.8742  0.6298   -18.19  44.24  98.35
    45  180    6    9.49    58  68 128   0.7460  0.8718  0.6298    18.12  44.12  98.35
    46   30    6    9.49    16  62   8   0.2075  0.7925  0.0369   -11.03  40.11   5.76
    47  218    6    9.49    42  36 144   0.5409  0.4591  0.7035    18.19  23.24 109.86
    48   81    6    9.49     6  42  60   0.0793  0.5385  0.2965   -11.10  27.25  46.30
    49  119    6    9.49    20  10  76   0.2540  0.1282  0.3702    11.10   6.49  57.81
    50   31    6    9.49    46  62   8   0.5874  0.7949  0.0369    11.10  40.23   5.76
    51  212    6    9.49    42   6 144   0.5385  0.0793  0.7035    29.15   4.01 109.86
    52  219    6    9.49    72  36 144   0.9207  0.4615  0.7035    40.32  23.36 109.86
    53  270    6    9.49    62  16 196   0.7925  0.2075  0.9631    40.25  10.50 150.40
    54   88    6    9.49    36  72  60   0.4615  0.9207  0.2965     0.07  46.60  46.30
    55  269    6    9.49    32  16 196   0.4126  0.2051  0.9631    18.12  10.38 150.40
    56   24    6    9.49    16  32   8   0.2051  0.4126  0.0369    -0.07  20.88   5.76
    57  102    2    9.25    32  31  68   0.4134  0.3960  0.3333    12.59  20.04  52.05
    58  195    2    9.25    31  32 136   0.3960  0.4134  0.6667    11.06  20.92 104.11
    59    6    2    9.25    73  20   0   0.9373  0.2532  0.0000    47.38  12.82   0.00
    60    8    2    9.25    20  25   0   0.2549  0.3191  0.0000     5.58  16.15   0.00
    61    9    2    9.25    58  53   0   0.7451  0.6809  0.0000    23.64  34.46   0.00
    62   95    2    9.25    32   1  68   0.4117  0.0142  0.3333    23.64   0.72  52.05
    63   99    2    9.25    27  21  68   0.3493  0.2678  0.3333    12.59  13.55  52.05
    64  106    2    9.25    47  46  68   0.6040  0.5866  0.3333    18.16  29.69  52.05
    65  107    2    9.25    77  46  68   0.9872  0.5883  0.3333    40.50  29.77  52.05
    66   12    2    9.25    53  58   0   0.6809  0.7451  0.0000    18.02  37.71   0.00
    67   13    2    9.25    20  73   0   0.2532  0.9373  0.0000   -12.59  47.44   0.00
    68    5    2    9.25    25  20   0   0.3191  0.2549  0.0000    11.20  12.90   0.00
    69  196    2    9.25     1  47 136   0.0160  0.6011  0.6667   -16.63  30.42 104.11
    70  197    2    9.25    46  47 136   0.5866  0.6040  0.6667    16.63  30.57 104.11
    71   14    2    9.25    53  73   0   0.6827  0.9344  0.0000    12.59  47.29   0.00
    72  204    2    9.25    46  77 136   0.5883  0.9872  0.6667     5.53  49.96 104.11
    73   98    2    9.25    57   6  68   0.7293  0.0801  0.3333    40.28   4.05  52.05
    74  100    2    9.25    72  21  68   0.9199  0.2707  0.3333    45.85  13.70  52.05
    75  103    2    9.25    77  31  68   0.9872  0.3989  0.3333    46.04  20.19  52.05
    76    4    2    9.25    58   5   0   0.7468  0.0627  0.0000    41.81   3.17   0.00
    77  193    2    9.25    21  27 136   0.2678  0.3493  0.6667     5.44  17.68 104.11
    78  194    2    9.25     1  32 136   0.0142  0.4117  0.6667   -11.20  20.84 104.11
    79  200    2    9.25    51  57 136   0.6507  0.7322  0.6667    16.63  37.06 104.11
    80  201    2    9.25    21  72 136   0.2707  0.9199  0.6667   -11.06  46.56 104.11
    81  203    2    9.25    31  77 136   0.3989  0.9872  0.6667    -5.53  49.96 104.11
    82   96    2    9.25    47   1  68   0.6011  0.0160  0.3333    34.66   0.81  52.05
    83   97    2    9.25    27   6  68   0.3476  0.0784  0.3333    18.02   3.97  52.05
    84   10    2    9.25    73  53   0   0.9344  0.6827  0.0000    34.66  34.55   0.00
    85  108    2    9.25    57  51  68   0.7322  0.6507  0.3333    23.78  32.93  52.05
    86   11    2    9.25     5  58   0   0.0627  0.7468  0.0000   -18.16  37.79   0.00
    87    7    2    9.25     5  25   0   0.0656  0.3173  0.0000    -5.44  16.06   0.00
    88  192    2    9.25     6  27 136   0.0784  0.3476  0.6667    -5.58  17.59 104.11
    89  199    2    9.25     6  57 136   0.0801  0.7293  0.6667   -16.63  36.91 104.11
    90  202    2    9.25    51  72 136   0.6524  0.9216  0.6667    11.20  46.64 104.11
    91  109    2    9.25    72  51  68   0.9216  0.6524  0.3333    34.80  33.02  52.05
    92  294    2    5.97     5  58 203   0.0636  0.7478  0.9951   -18.13  37.85 155.40
    93  290    2    5.97     5  25 203   0.0667  0.3163  0.9951    -5.35  16.01 155.40
    94  298    2    5.97    53  73 203   0.6837  0.9333  0.9951    12.68  47.24 155.40
    95  295    2    5.97    53  58 203   0.6800  0.7461  0.9951    17.94  37.76 155.40
    96  291    2    5.97    20  25 203   0.2539  0.3200  0.9951     5.48  16.20 155.40
    97  297    2    5.97    20  73 203   0.2522  0.9364  0.9951   -12.62  47.39 155.40
    98  288    2    5.95    25  20 203   0.3187  0.2547  0.9951    11.18  12.89 155.40
    99  292    2    5.95    58  53 203   0.7453  0.6813  0.9951    23.65  34.48 155.40
   100  289    2    5.95    73  20 203   0.9377  0.2534  0.9951    47.40  12.82 155.40




 PEAKMAX:   Normal Termination of PEAKMAX
 Times: User:       0.1s System:    0.0s Elapsed:    0:00





1###############################################################
 ###############################################################
 ###############################################################
 ### CCP4 4.2: N_PLUTO            version 4.2       : 06/08/02##
 ###############################################################
 User: mgwt  Run date: 12/ 6/03  Run time:14:07:27


 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.



                              PLUTO
                              =====

  (Q)QOPEN: file opened on unit  1      Status: READONLY

 Logical Name: MAPIN      Filename: /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map



  File name for input map file on unit   1 : /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map
                               file size = 4968448  ;  logical name MAPIN


           Number of columns, rows, sections ...............   78   78  204
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0   77    0   77    0  203
           Grid sampling on x, y, z ........................   78   78  204
           Cell dimensions .................................  58.44070  58.44070 156.16071  90.00000  90.00000 120.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -7.51018
           Maximum density .................................    94.80994
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.77457
           Space-group .....................................  166
           Number of titles ................................    1

 Titles :
           anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)      

 Data Line---- TITLE Z = 0 to 0                                                                                    
 Data Line---- MAP     SCALE 2.0                                                                                   
 Data Line---- CONTOURS     SIG     1.0 TO 20.0 BY 0.5                                                             

  (Q)QOPEN: file opened on unit  1      Status: READONLY

 Logical Name: MAPIN      Filename: /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map



  File name for input map file on unit   3 : /y/people/mgwt/work/hg_a_1to84_h32_patterson1.map
                               file size = 4968448  ;  logical name MAPIN


           Number of columns, rows, sections ...............   78   78  204
           Map mode ........................................    2
           Start and stop points on columns, rows, sections     0   77    0   77    0  203
           Grid sampling on x, y, z ........................   78   78  204
           Cell dimensions .................................  58.44070  58.44070 156.16071  90.00000  90.00000 120.00000
           Fast, medium, slow axes .........................    Y    X    Z
           Minimum density .................................    -7.51018
           Maximum density .................................    94.80994
           Mean density ....................................     0.00000
           Rms deviation from mean density .................     0.77457
           Space-group .....................................  166
           Number of titles ................................    1

 Titles :
           anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)      


 Title from map    1 : anomalous patterson for domain Hg H32 exclude batch 74 (tutorial step 137)
 1st section number and limits on u & v :     0     0    77     0    77

 Contour levels for map number     1

            0.775     1.162     1.549     1.936     2.324     2.711     3.098     3.486     3.873     4.260     4.647     5.035
            5.422     5.809     6.197     6.584     6.971     7.358     7.746     8.133     8.520     8.908     9.295     9.682
           10.069    10.457    10.844    11.231    11.619    12.006    12.393    12.780    13.168    13.555    13.942    14.330

           14.717    15.104    15.491

  Axis   Sampling interval
  Fast    Y           78
  Medium  X           78
  Section Z          204

 Matrix to convert uvw to plotter axes:
              58.44070   -29.22035     0.00000
               0.00000   -50.61113     0.00000
               0.00000     0.00000   156.16071

 Orientation matrix for atoms :
              -0.50000     0.86603     0.00000
              -0.86603    -0.50000     0.00000
               0.00000     0.00000     1.00000

 Data Line---- sections     0 0 1                                                                                  
  First_Section,Last_Section,Sections_in_Group  0.  0.  1.
 Data Line---- GRID 0.1 0.1 0.0 0.0                                                                                
 Data Line---- SIZE 0 CHAR 3.0                                                                                     
 MAP_XYZ_limits,MAP_UVW_limits Map range
   78   78  204
   0  77   0  77   0 203
   0.00000   0.99510   0.99510
  Symmetry operations:  X,Y,Z
  Symmetry operations:  -Y,X-Y,Z
  Symmetry operations:  Y-X,-X,Z
  Symmetry operations:  Y,X,-Z
  Symmetry operations:  X-Y,-Y,-Z
  Symmetry operations:  -X,Y-X,-Z
  Symmetry operations:  -X,-Y,-Z
  Symmetry operations:  Y,Y-X,-Z
  Symmetry operations:  X-Y,X,-Z
  Symmetry operations:  -Y,-X,Z
  Symmetry operations:  Y-X,Y,Z
  Symmetry operations:  X,X-Y,Z
  Symmetry operations:  2/3+X,1/3+Y,1/3+Z
  Symmetry operations:  2/3-Y,1/3+X-Y,1/3+Z
  Symmetry operations:  2/3+Y-X,1/3-X,1/3+Z
  Symmetry operations:  2/3+Y,1/3+X,1/3-Z
  Symmetry operations:  2/3+X-Y,1/3-Y,1/3-Z
  Symmetry operations:  2/3-X,1/3+Y-X,1/3-Z
  Symmetry operations:  2/3-X,1/3-Y,1/3-Z
  Symmetry operations:  2/3+Y,1/3+Y-X,1/3-Z
  Symmetry operations:  2/3+X-Y,1/3+X,1/3-Z
  Symmetry operations:  2/3-Y,1/3-X,1/3+Z
  Symmetry operations:  2/3+Y-X,1/3+Y,1/3+Z
  Symmetry operations:  2/3+X,1/3+X-Y,1/3+Z
  Symmetry operations:  1/3+X,2/3+Y,2/3+Z
  Symmetry operations:  1/3-Y,2/3+X-Y,2/3+Z
  Symmetry operations:  1/3+Y-X,2/3-X,2/3+Z
  Symmetry operations:  1/3+Y,2/3+X,2/3-Z
  Symmetry operations:  1/3+X-Y,2/3-Y,2/3-Z
  Symmetry operations:  1/3-X,2/3+Y-X,2/3-Z
  Symmetry operations:  1/3-X,2/3-Y,2/3-Z
  Symmetry operations:  1/3+Y,2/3+Y-X,2/3-Z
  Symmetry operations:  1/3+X-Y,2/3+X,2/3-Z
  Symmetry operations:  1/3-Y,2/3-X,2/3+Z
  Symmetry operations:  1/3+Y-X,2/3+Y,2/3+Z
  Symmetry operations:  1/3+X,2/3+X-Y,2/3+Z
  line 5547 NDIM1(1),NFirst_Section,NLast_Section,NSEC1 0 0 0 204
  line 5550 NDIM1(1),NFirst_Section,NLast_Section,NSEC1 0 0 0 204
 Data Line---- SIZE 0 CHAR 3.0                                                                                     
 Data Line---- PLOT                                                                                                
 Drawing_Size         =   327.0000
 Picture_Scale        =     2.0000
 Charcter_Size        =     3.0000
 Perspective_Distance =   600.0000
 ***Begin Plotting***
 View Rotation Matrix
            -0.50000   0.86603   0.00000
            -0.86603  -0.50000   0.00000
             0.00000   0.00000   1.00000
 Total number of atoms to be plotted =     0
 ***Length of plotted X side =    86.69 Angstroms
                                 173.37 mm.
                Scale Factor =   2.0000 mm/A
        Perspective Distance =    10000.0 mm

  (Q)QOPEN: file opened on unit  2      Status: UNKNOWN

 Logical Name: PLOT      Filename: /y/people/mgwt/TEST/2003test_16_1.plt


  Lpaper_Setting 0
 pltmapaxes

  58.44070 -29.22035   0.00000
   0.00000 -50.61113   0.00000
   0.00000   0.00000 156.16071
  xxp yyp zzp -28.8457394  49.9622765 -0.765493691
 LStereo_Flag,Lperspective_Flag 0 0
  Invert_Map_Flag,mu,mv,lh,lv 1 2 1 2 1
 *** Completed Drawing no.  1 - Copy no.  1 - Trace no.  1
 Data Line---- END                                                                                                 
  END PLOT: Picture number     1

 N_PLUTO:   Normal Termination of npluto
 Times: User:       0.0s System:    0.0s Elapsed:    0:00
#CCP4I TERMINATION STATUS 1 #CCP4I TERMINATION TIME 12 Jun 2003 14:07:27 #CCP4I TERMINATION OUTPUT_FILES /y/people/mgwt/TEST/2003test_16_peaks.ha 2003test /y/people/mgwt/TEST/2003test_16_1.plt 2003test #CCP4I MESSAGE Task completed successfully