Sol_
 Sol_ --- SFCHECK --- /Vers 7.0.11; 03.05.2005/
 Sol_   Memory:   10 Mb     N_atom_max:  40000
 Sol_


Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

  -----------------------------------
 --- MTZ file :bar_wt_ph6_twin-0.3-p32-p3221.mtz

   No  Label                       type

     1  H                               H
     2  K                               H
     3  L                               H
     4  F                               F
     5  SIGF                            Q
     6  FT1                             F
     7  SIGFT1                          Q
     8  FT2                             F
     9  SIGFT2                          Q
    10  FT3                             F
    11  SIGFT3                          Q
  -----------------------------------
Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

 Data line--- LABIN F=FT2 SIGF=SIGFT2

FORMATTED      UNKNOWN file opened on unit  22
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: sfcheck_mtz.cif, Filename: sfcheck_mtz.cif
<!--SUMMARY_END--></FONT></B>

Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

N,hkl,F,sig,stat :    5000     4    1   23         4294.           136.9     o
N,hkl,F,sig,stat :   10000     8    9  -13         5447.           164.3     o
N,hkl,F,sig,stat :   15000    14   10    0         5843.           222.4     o
 --- read file of structure factors. ---
Environment variable SYMINFO not set ... guessing location of symmetry file. 
 SYMINFO file set to /home/briggs/CCP4_REMOTE/ccp4/lib/data/syminfo.lib 
  -->SYSABS:H,K,L,I,SD:         0   0 -16      25600.00  13648.00
  -->SYSABS:H,K,L,I,SD:         0   0 -14       9604.00   6865.88
  -->SYSABS:H,K,L,I,SD:         0   0 -13      43264.00  17110.08
  -->SYSABS:H,K,L,I,SD:         0   0 -11      25600.00  13648.00
  -->SYSABS:H,K,L,I,SD:         0   0 -10      43264.00  17110.08
  -->SYSABS:H,K,L,I,SD:         0   0  -8      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0  -7      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0  -5      25600.00  13648.00
  -->SYSABS:H,K,L,I,SD:         0   0  -4      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0   4      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0   5      25600.00  13648.00
  -->SYSABS:H,K,L,I,SD:         0   0   7      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0   8      15129.00   9741.60
  -->SYSABS:H,K,L,I,SD:         0   0  10      43264.00  17110.08
  -->SYSABS:H,K,L,I,SD:         0   0  11      25600.00  13648.00
  -->SYSABS:H,K,L,I,SD:         0   0  13      43264.00  17110.08
  -->SYSABS:H,K,L,I,SD:         0   0  14       9604.00   6865.88
  -->SYSABS:H,K,L,I,SD:         0   0  16      25600.00  13648.00
 --- Pscale                         ---
 --- Check Patterson for pseudo-translation ---
 --- Twinning test ---
 --- file statistics                ---

  ----------------------------------------------

    --- Crystal ---

  PDB_code : XXXX
  Name : XXXXXXXX    ?
  Date :XX-XXX-XX
  Cell:   59.39  59.39  82.59  90.00  90.00 120.00
  Space group : P 32
  No symmetry operators :    3

  ----------------------------------------------

    --- Structure factors ---

  Resolution /input data/ :  29.69 -  2.19
  Number of reflections :   16129 ( in_file :   17387)
  Number of unacceptable reflections  :       18
  Number of unacceptable reflections as systematycal absent :    18
  Number of reflections with I > sigma(I) :    17369
  Number of reflections with I > 3sigma(I):    17260
  R_stand(I) = <sig(I)>/<I> :    0.068
  Rmerge  : 0.000 (  2480 -->  1240)
  Number of acceptable reflections:   16129
  for resolution :  29.69 -  2.19
  Optical Resolution:   1.60
  Expected Optical Resolution for complete data set:   1.60
    / Optical resolution - expected minimal distance between
              two resolved peaks in the electron density map./
  Resmax_used(opt):  2.37
  Number of max possible refls :   16749 actual :   16129
  Completeness : 96.3 %
  R_stand(F) = <sig(F)>/<F> :0.034
  Boverall /estimated by Patterson/       :   26.47
  Minimal estimated error :  0.0225
  Pseudo-translation is not detected.
  Minimal estimated error :  0.0225

  Perfect twinning test <I^2>/<I>^2 :  1.5840

  Partial Twinning test:
 +k,h,-l
  Polar angles:   89.99   60.00  180.00
  Alpha(twin fraction),Npair,Ior,Tol : 0.322   18130    2 0.000

 --- Partial Twinning Test : H = !I(h1)-I(h2)!/(I(h1)+I(h2)) ---

                    Alpha(twinning fraction) = 1/2 - <H>

  Reflection related to hkl :
 +k,h,-l

       Cumulative distribution of H

    0  0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9  1
    *---+---+---+---+---+---+---+---+---+---+
     !++O.+  .   .   .   .   .   .   .   .   !
     ! ++.+O . + .   .   .   .   .   .   .   !
     !  +++  O   .  +.   .   .   .   .   .   !
 0.10!---++-+--+O--------+-------------------!
     !   .++ +   .O  .   .   .+  .   .   .   !
     !   . + + + .  +O   .   .   . + .   .   !
     !   .  +.+  +   . O .   .   .   .  +.   !
 0.20!-------+-+--+------O-------------------+ alpha=0.4
     !   .   .+ +.  +.   .  O.   .   .   .   +
     !   .   . + .+  .+  .   .O  .   .   .   +
     !   .   .  +. + . + .   .  O+   .   .   +
 0.30!-----------+--+----+--------O+---------+
     !   .   .   .+  +   . + .   .   O+  .   +
     !   .   .   . + .+  .  +.   .   . O+.   +
     !   .   .   .  +.  +.   .+  .   .   O + +
 0.40!---------------+---+------+----------O-+ alpha=0.3
     !   .   .   .   .+  .+  .   +   .   .  O+
     !   .   .   .   . + .  +.   . + .   .  O+
     !   .   .   .   .  +.   +   .   +   .  O+
 0.50!-------------------+----+-------+-----O+
     !   .   .   .   .   .+  . + .   .  +.  O+
     !   .   .   .   .   . + .   +   .   .+ O+
     !   .   .   .   .   .  +.   .+  .   . +O+
 0.60!-----------------------+-----+--------O+ alpha=0.2
     !   .   .   .   .   .   .+  .  +.   .  O+
     !   .   .   .   .   .   . + .   .+  .  O+
     !   .   .   .   .   .   .  +.   . + .  O+
 0.70!---------------------------+------+---O+
     !   .   .   .   .   .   .   .+  .   +  O+
     !   .   .   .   .   .   .   . + .   . +O+
     !   .   .   .   .   .   .   .  +.   .  O+
 0.80!-------------------------------+------O+ alpha=0.1
     !   .   .   .   .   .   .   .   .+  .  O+
     !   .   .   .   .   .   .   .   . + .  O+
     !   .   .   .   .   .   .   .   .  +.  O+
 0.90!-----------------------------------+--O+
     !   .   .   .   .   .   .   .   .   .+ O+
     !   .   .   .   .   .   .   .   .   . +O+
     !   .   .   .   .   .   .   .   .   .  O+
 H  *---+---+---+---+---+---+---+---+---+---* alpha=0
    0  0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9  1


  Anisotropic distribution of Structure Factors:
  Ratio of Eigen values :  0.8569  0.8569  1.0000


  ----------------------------------------------

 --- Create PostScript file         ---
 XXXX
 * Plotfile: sfcheck_XXXX.ps
 Sol_
 Sol_ --- SFCHECK --- /Vers 7.0.11; 03.05.2005/
 Sol_   Memory:   10 Mb     N_atom_max:  40000
 Sol_


Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

  -----------------------------------
 --- MTZ file :bar_wt_ph6_twin-0.3-p32-p3221.mtz

   No  Label                       type

     1  H                               H
     2  K                               H
     3  L                               H
     4  F                               F
     5  SIGF                            Q
     6  FT1                             F
     7  SIGFT1                          Q
     8  FT2                             F
     9  SIGFT2                          Q
    10  FT3                             F
    11  SIGFT3                          Q
  -----------------------------------
Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

 Data line--- LABIN F=F SIGF=SIGF

FORMATTED      UNKNOWN file opened on unit  22
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: sfcheck_mtz.cif, Filename: sfcheck_mtz.cif
<!--SUMMARY_END--></FONT></B>

Dataset id missing from COLUMN records in MTZ header. 
Making default assignments. 
>>>>>> CCP4 library signal mtz:Missing or incomplete dataset information in input file. (Warning)
	 raised in MtzGet <<<<<<

 OPENED INPUT MTZ FILE 
 Logical Name: bar_wt_ph6_twin-0.3-p32-p3221.mtz   Filename: bar_wt_ph6_twin-0.3-p32-p3221.mtz 

N,hkl,F,sig,stat :    5000     3   21    9         2952.           141.0     o
N,hkl,F,sig,stat :   10000     8    6    6         7194.           313.0     o
N,hkl,F,sig,stat :   15000    14    6   -2         2103.           112.0     o
 --- read file of structure factors. ---
Environment variable SYMINFO not set ... guessing location of symmetry file. 
 SYMINFO file set to /home/briggs/CCP4_REMOTE/ccp4/lib/data/syminfo.lib 
  -->SYSABS:H,K,L,I,SD:         0   0 -16      25600.00  17920.00
  -->SYSABS:H,K,L,I,SD:         0   0 -14       9604.00   9016.00
  -->SYSABS:H,K,L,I,SD:         0   0 -13      43264.00  22464.00
  -->SYSABS:H,K,L,I,SD:         0   0 -11      25600.00  17920.00
  -->SYSABS:H,K,L,I,SD:         0   0 -10      43264.00  22464.00
  -->SYSABS:H,K,L,I,SD:         0   0  -8      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0  -7      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0  -5      25600.00  17920.00
  -->SYSABS:H,K,L,I,SD:         0   0  -4      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0   4      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0   5      25600.00  17920.00
  -->SYSABS:H,K,L,I,SD:         0   0   7      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0   8      15129.00  12792.00
  -->SYSABS:H,K,L,I,SD:         0   0  10      43264.00  22464.00
  -->SYSABS:H,K,L,I,SD:         0   0  11      25600.00  17920.00
  -->SYSABS:H,K,L,I,SD:         0   0  13      43264.00  22464.00
  -->SYSABS:H,K,L,I,SD:         0   0  14       9604.00   9016.00
  -->SYSABS:H,K,L,I,SD:         0   0  16      25600.00  17920.00
 --- Pscale                         ---
 --- Check Patterson for pseudo-translation ---
 --- Twinning test ---
 --- file statistics                ---

  ----------------------------------------------

    --- Crystal ---

  PDB_code : XXXX
  Name : XXXXXXXX    ?
  Date :XX-XXX-XX
  Cell:   59.39  59.39  82.59  90.00  90.00 120.00
  Space group : P 32
  No symmetry operators :    3

  ----------------------------------------------

    --- Structure factors ---

  Resolution /input data/ :  29.69 -  2.19
  Number of reflections :   16302 ( in_file :   17560)
  Number of unacceptable reflections  :       18
  Number of unacceptable reflections as systematycal absent :    18
  Number of reflections with I > sigma(I) :    17530
  Number of reflections with I > 3sigma(I):    16843
  R_stand(I) = <sig(I)>/<I> :    0.088
  Rmerge  : 0.000 (  2480 -->  1240)
  Number of acceptable reflections:   16302
  for resolution :  29.69 -  2.19
  Optical Resolution:   1.60
  Expected Optical Resolution for complete data set:   1.60
    / Optical resolution - expected minimal distance between
              two resolved peaks in the electron density map./
  Resmax_used(opt):  2.37
  Number of max possible refls :   16749 actual :   16302
  Completeness : 97.3 %
  R_stand(F) = <sig(F)>/<F> :0.046
  Boverall /estimated by Patterson/       :   26.60
  Minimal estimated error :  0.0309
  Pseudo-translation is not detected.
  Minimal estimated error :  0.0309

  Perfect twinning test <I^2>/<I>^2 :  1.9371

  Partial Twinning test:
 +k,h,-l
  Polar angles:   89.99   60.00  180.00
  Alpha(twin fraction),Npair,Ior,Tol : 0.054   18130    2 0.000

 --- Partial Twinning Test : H = !I(h1)-I(h2)!/(I(h1)+I(h2)) ---

                    Alpha(twinning fraction) = 1/2 - <H>

  Reflection related to hkl :
 +k,h,-l

       Cumulative distribution of H

    0  0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9  1
    *---+---+---+---+---+---+---+---+---+---+
     !+O+.+  .   .   .   .   .   .   .   .   !
     ! ++O+  . + .   .   .   .   .   .   .   !
     !  ++O  +   .  +.   .   .   .   .   .   !
 0.10!---++O+--+---------+-------------------!
     !   .++O+   .+  .   .   .+  .   .   .   !
     !   . + O + .  +.   .   .   . + .   .   !
     !   .  +.O  +   . + .   .   .   .  +.   !
 0.20!-------+-O--+------+-------------------+ alpha=0.4
     !   .   .+ O.  +.   .  +.   .   .   .   +
     !   .   . +O.+  .+  .   .+  .   .   .   +
     !   .   .  +O + . + .   .   +   .   .   +
 0.30!-----------+-O+----+---------+---------+
     !   .   .   .+O +   . + .   .   .+  .   +
     !   .   .   . +O.+  .  +.   .   .  +.   +
     !   .   .   .  +O  +.   .+  .   .   . + +
 0.40!---------------+O--+------+------------+ alpha=0.3
     !   .   .   .   .+O .+  .   +   .   .   +
     !   .   .   .   . +O.  +.   . + .   .   +
     !   .   .   .   .  +O   +   .   +   .   +
 0.50!-------------------+O---+-------+------+
     !   .   .   .   .   .+O . + .   .  +.   +
     !   .   .   .   .   . +O.   +   .   .+  +
     !   .   .   .   .   .  +O   .+  .   . + +
 0.60!-----------------------+O----+---------+ alpha=0.2
     !   .   .   .   .   .   .O  .  +.   .   +
     !   .   .   .   .   .   . O .   .+  .   +
     !   .   .   .   .   .   .  O.   . + .   +
 0.70!---------------------------O------+----+
     !   .   .   .   .   .   .   .O  .   +   +
     !   .   .   .   .   .   .   . O .   . + +
     !   .   .   .   .   .   .   .  O.   .  ++
 0.80!-------------------------------O-------+ alpha=0.1
     !   .   .   .   .   .   .   .   .O  .   +
     !   .   .   .   .   .   .   .   . O .   +
     !   .   .   .   .   .   .   .   .  O.   +
 0.90!----------------------------------O+---+
     !   .   .   .   .   .   .   .   .   O+  +
     !   .   .   .   .   .   .   .   .   .O+ +
     !   .   .   .   .   .   .   .   .   . O++
 H  *---+---+---+---+---+---+---+---+---+---* alpha=0
    0  0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9  1


  Anisotropic distribution of Structure Factors:
  Ratio of Eigen values :  0.8591  0.8591  1.0000


  ----------------------------------------------

 --- Create PostScript file         ---
 XXXX
 * Plotfile: sfcheck_XXXX.ps
 Sol_
 Sol_ --- SFCHECK --- /Vers 7.0.11; 03.05.2005/
 Sol_   Memory:   10 Mb     N_atom_max:  40000
 Sol_



 OPENED INPUT MTZ FILE 
 Logical Name: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz   Filename: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz 

  -----------------------------------
 --- MTZ file :/home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz

   No  Label                       type

     1  H                               H
     2  K                               H
     3  L                               H
     4  FNAT                            F
     5  SIGFNAT                         Q
     6  FreeR_flag                      I
     7  FHG2                            F
     8  SDFHG2                          Q
     9  FHG2DEL                         D
    10  SDFHG2DEL                       Q
    11  FPTNCD25                        F
    12  SIGFPTNCD25                     Q
    13  DELFPTNCD25                     D
    14  SIGDELFPTNCD25                  Q
    15  FIOD25                          F
    16  SIGFIOD25                       Q
    17  DELFIOD25                       D
    18  SIGDELFIOD25                    Q
  -----------------------------------

 OPENED INPUT MTZ FILE 
 Logical Name: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz   Filename: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz 

 Data line--- LABIN F=FNAT SIGF=SIGFNAT FREE=FreeR_flag

FORMATTED      UNKNOWN file opened on unit  22
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Logical name: sfcheck_mtz.cif, Filename: sfcheck_mtz.cif
<!--SUMMARY_END--></FONT></B>


 OPENED INPUT MTZ FILE 
 Logical Name: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz   Filename: /home/briggs/CCP4_REMOTE/ccp4/examples/rnase/rnase25.mtz 

N,hkl,F,sig,stat :    5000    13   13    0         432.7           8.368     o
 --- read file of structure factors. ---
Environment variable SYMINFO not set ... guessing location of symmetry file. 
 SYMINFO file set to /home/briggs/CCP4_REMOTE/ccp4/lib/data/syminfo.lib 
 --- Pscale                         ---
 --- Check Patterson for pseudo-translation ---
 --- file statistics                ---

  ----------------------------------------------

    --- Crystal ---

  PDB_code : XXXX
  Name : XXXXXXXX    ?
  Date :XX-XXX-XX
  Cell:   64.90  78.32  38.79  90.00  90.00  90.00
  Space group : P 21 21 21
  No symmetry operators :    4

  ----------------------------------------------

    --- Structure factors ---

  Resolution /input data/ :  49.97 -  2.50
  Number of reflections :    7217 ( in_file :    7217)
  Number of reflections with I > sigma(I) :     7164
  Number of reflections with I > 3sigma(I):     7030
  R_stand(I) = <sig(I)>/<I> :    0.030
  Number of acceptable reflections:    7217
  for resolution :  49.97 -  2.50
  Optical Resolution:   1.79
  Expected Optical Resolution for complete data set:   1.79
    / Optical resolution - expected minimal distance between
              two resolved peaks in the electron density map./
  Resmax_used(opt):  2.84
  Number of max possible refls :    7278 actual :    7217
  Completeness : 99.2 %
  R_stand(F) = <sig(F)>/<F> :0.017
  Boverall /estimated by Patterson/       :   31.56
  Minimal estimated error :  0.0182
  Pseudo-translation is not detected.
  Minimal estimated error :  0.0182

  Perfect twinning test <I^2>/<I>^2 :  1.9810


  Anisotropic distribution of Structure Factors:
  Ratio of Eigen values :  0.7014  1.0000  0.8282


  ----------------------------------------------

 --- Create PostScript file         ---
 XXXX
 * Plotfile: sfcheck_XXXX.ps