#############################################################
##                        mmtbx.xtriage                    ##
##                                                         ##
##      P.H. Zwart, R.W. Grosse-Kunstleve & P.D. Adams     ##
##                                                         ##
#############################################################
#phil __OFF__
  This cryptic code, together with the tags __ON__ and __OFF__
  allows one to use the log file as an input file for xtriage.
  Try : mmtbx.xtriage  <logfile> to give it a try!

Date 2006-07-20 Time 13:07:43 PDT -0700


##-------------------------------------------##
## WARNING:                                  ##
## Number of residues unspecified            ##
##-------------------------------------------##
##-------------------------------------------##
## Space group defined manually, will ignore
## specification in reflection file: 
## From file :  I 4 3 2
## From input:  I 41 3 2
##-------------------------------------------##


Effective parameters: 
#phil __ON__
scaling.input {
  parameters {
    asu_contents {
      n_residues = None
      n_bases = 8
      n_copies_per_asu = None
    }
    misc_twin_parameters {
      missing_symmetry {
        tanh_location = 0.08
        tanh_slope = 50
      }
      twinning_with_ncs {
        perform_analyses = False
        n_bins = 7
      }
      twin_test_cuts {
        low_resolution = 10
        high_resolution = None
        isigi_cut = 3
        completeness_cut = 0.85
      }
    }
    reporting {
      verbose = 1
      log = "logfile.log"
      ccp4_style_graphs = True
    }
  }
  xray_data {
    file_name = "../I432.sca"
    obs_labels = None
    calc_labels = None
    unit_cell = 76.855 76.855 76.855 90 90 90
    space_group = "I 41 3 2"
    high_resolution = None
    low_resolution = None
    reference {
      data {
        file_name = None
        labels = None
        unit_cell = None
        space_group = None
      }
    }
  }
}
#phil __END__


Symmetry, cell and reflection file content summary

Miller array info: ../I432.sca:i_obs,sigma
Observation type: xray.amplitude
Type of data: double, size=5100
Type of sigmas: double, size=5100
Number of Miller indices: 5100
Anomalous flag: False
Unit cell: (76.855, 76.855, 76.855, 90, 90, 90)
Space group: I 41 3 2 (No. 214)
Systematic absences: 12
Systematic absences not included in following:
Centric reflections: 1003
Resolution range: 31.3759 1.61737
Completeness in resolution range: 0.972477
Completeness with d_max=infinity: 0.972291

##----------------------------------------------------##
##                    Basic statistics                ##
##----------------------------------------------------##


Matthews coefficient and Solvent content statistics
----------------------------------------------------------------
| Copies | Solvent content | Matthews Coef. | P(solvent cont.) |
|--------|-----------------|----------------|------------------|
|      1 |      0.677      |      3.801     |       0.494      |
|      2 |      0.353      |      1.901     |       0.496      |
|      3 |      0.030      |      1.267     |       0.010      |
----------------------------------------------------------------
|              Best guess :    2  copies in the asu            |
----------------------------------------------------------------


Completeness and data strength analyses 

  The following table lists the completeness in various resolution
  ranges, after applying a I/sigI cut. Miller indices for which
  individual I/sigI values are larger than the value specified in
  the top row of the table, are retained, while other intensities
  are discarded. The resulting completeness profiles are an indication
  of the strength of the data.

----------------------------------------------------------------------------------------
| Res. Range   | I/sigI>1  | I/sigI>2  | I/sigI>3  | I/sigI>5  | I/sigI>10 | I/sigI>15 |
----------------------------------------------------------------------------------------
| 38.44 - 3.99 | 100.7%    | 100.7%    | 100.7%    | 99.3%     | 95.5%     | 92.3%     |
|  3.99 - 3.17 | 100.0%    | 99.2%     | 98.6%     | 97.3%     | 94.8%     | 91.8%     |
|  3.17 - 2.77 | 100.0%    | 99.7%     | 99.2%     | 98.0%     | 96.3%     | 92.9%     |
|  2.77 - 2.51 | 98.0%     | 97.2%     | 96.4%     | 96.1%     | 89.9%     | 83.2%     |
|  2.51 - 2.33 | 98.3%     | 97.4%     | 97.1%     | 95.4%     | 90.7%     | 84.9%     |
|  2.33 - 2.20 | 98.5%     | 96.2%     | 94.4%     | 93.0%     | 86.5%     | 76.9%     |
|  2.20 - 2.09 | 96.6%     | 93.4%     | 92.2%     | 88.8%     | 77.9%     | 68.4%     |
|  2.09 - 1.99 | 97.7%     | 94.8%     | 92.4%     | 86.9%     | 75.3%     | 65.1%     |
|  1.99 - 1.92 | 94.8%     | 89.0%     | 83.8%     | 77.7%     | 61.8%     | 47.4%     |
|  1.92 - 1.85 | 94.0%     | 89.3%     | 85.1%     | 75.8%     | 57.9%     | 47.2%     |
|  1.85 - 1.79 | 89.8%     | 85.4%     | 77.2%     | 67.5%     | 45.9%     | 27.8%     |
|  1.79 - 1.74 | 90.9%     | 83.0%     | 76.4%     | 61.5%     | 38.8%     | 23.9%     |
|  1.74 - 1.70 | 91.4%     | 82.5%     | 77.5%     | 61.2%     | 35.2%     | 22.2%     |
|  1.70 - 1.65 | 84.0%     | 71.2%     | 60.2%     | 46.5%     | 23.8%     | 16.0%     |
----------------------------------------------------------------------------------------

  The completeness of data for which I/sig(I)>3.00, exceeds  85% for
  for resolution ranges lower than 1.85A.
  The data is cut at this resolution for the potential twin tests 
  and intensity statistics.


Maximum likelihood isotropic Wilson scaling 
ML estimate of overall B value of ../I432.sca:i_obs,sigma:
27.55 A**(-2)
Estimated -log of scale factor of ../I432.sca:i_obs,sigma:
-1.24


Maximum likelihood anisotropic Wilson scaling 
ML estimate of overall B_cart value of ../I432.sca:i_obs,sigma:
27.55,  0.00,  0.00
       27.55,  0.00
              27.55
Equivalent representation as U_cif: 
 0.35, -0.00, -0.00
        0.35,  0.00
               0.35

ML estimate of  -log of scale factor of ../I432.sca:i_obs,sigma:
-1.24
Correcting for anisotropy in the data

Some basic intensity statistics follow.



Low resolution completeness analyses 

 The following table shows the completeness
 of the data to 5 Angstrom.
unused:         - 38.4286 [ 0/1 ] 0.000
bin  1: 38.4286 - 10.7079 [28/28] 1.000
bin  2: 10.7079 -  8.5297 [23/23] 1.000
bin  3:  8.5297 -  7.4605 [24/23] 1.043
bin  4:  7.4605 -  6.7824 [20/20] 1.000
bin  5:  6.7824 -  6.2985 [22/22] 1.000
bin  6:  6.2985 -  5.9286 [21/21] 1.000
bin  7:  5.9286 -  5.6327 [21/21] 1.000
bin  8:  5.6327 -  5.3881 [19/18] 1.056
bin  9:  5.3881 -  5.1812 [20/20] 1.000
bin 10:  5.1812 -  5.0028 [22/22] 1.000
unused:  5.0028 -         [ 0/0 ]



Mean intensity analyses 
 Analyses of the mean intensity. 
 Inspired by: Morris et al. (2004). J. Synch. Rad.11, 56-59.
 The following resolution shells are worrisome: 
------------------------------------------------
| d_spacing | z_score | compl. | <Iobs>/<Iexp> |
------------------------------------------------
     None
------------------------------------------------

Possible outliers 
  Inspired by: Read, Acta Cryst. (1999). D55, 1759-1764

 Acentric reflections:

            None 

 Centric reflections:

            None 


Ice ring related problems

 The following statistics were obtained from ice-ring 
 insensitive resolution ranges 
  mean bin z_score      : 1.44
      ( rms deviation   : 0.90 )
  mean bin completeness : 0.98
     ( rms deviation   : 0.05 )

 The following table shows the z-scores 
 and completeness in ice-ring sensitive areas.
 Large z-scores and high completeness in these 
 resolution ranges might be a reason to re-assess
 your data processsing if ice rings were present.

------------------------------------------------
| d_spacing | z_score | compl. | Rel. Ice int. |
------------------------------------------------
|    3.897  |   1.71  |   1.00 |     1.000     |
|    3.669  |   0.96  |   1.00 |     0.750     |
|    3.441  |   0.85  |   1.00 |     0.530     |
|    2.671  |   2.04  |   0.98 |     0.170     |
|    2.249  |   1.28  |   0.98 |     0.390     |
|    2.072  |   1.71  |   0.98 |     0.300     |
|    1.948  |   2.97  |   0.98 |     0.040     |
|    1.918  |   1.35  |   0.95 |     0.180     |
|    1.883  |   0.21  |   0.97 |     0.030     |
|    1.721  |   0.45  |   0.98 |     0.020     |
------------------------------------------------

 Abnormalities in mean intensity or completeness at
 resolution ranges with a relative ice ring intensity
 lower then 0.10 will be ignored.

 No ice ring related problems detected.
 If ice rings were present, the data does not look
 worse at ice ring related d_spacings as compared
 to the rest of the data set 




Basic analyses completed

##----------------------------------------------------##
##                   Twinning Analyses                ##
##----------------------------------------------------##



Using data between 10.00 to 1.85 Angstrom.

Determining possible twin laws.

  0 merohedral twin operators found
  0 pseudo-merohedral twin operators found
In total,   0 twin operator were found


Number of centrics  : 759
Number of acentrics : 2715

 Largest patterson peak with length larger then 15 Angstrom 

 Frac. coord.        :   0.127    0.127    0.127
 Distance to origin  :  16.879
 Height (origin=100) :   6.893
 p_value(height)     :   5.203e-01

   The reported p_value has the following meaning: 
     The probability that a peak of the specified height 
     or larger is found in a Patterson function of a 
     macro molecule that does not have any translational
     pseudo symmetry is equal to  5.203e-01 
     p_values smaller then 0.05 might indicate 
     weak translation pseudo symmetry, or the self vector of 
     a large anomalous scatterer such as Hg, whereas values 
     smaller then 1e-3 are a very strong indication for 
     the presence of translational pseudo symmetry.



Wilson ratio and moments 

Acentric reflections 
   <I^2>/<I>^2    :1.965   (untwinned: 2.000; perfect twin 1.500)
   <F>^2/<F^2>    :0.790   (untwinned: 0.785; perfect twin 0.885)
   <|E^2 - 1|>    :0.720   (untwinned: 0.736; perfect twin 0.541)


Centric reflections 
   <I^2>/<I>^2    :2.960   (untwinned: 3.000; perfect twin 2.000)
   <F>^2/<F^2>    :0.650   (untwinned: 0.637; perfect twin 0.785)
   <|E^2 - 1|>    :0.965   (untwinned: 0.968; perfect twin 0.736)



NZ test (0<=z<1) to detect twinning and possible translational NCS


-----------------------------------------------
|  Z  | Nac_obs | Nac_theo | Nc_obs | Nc_theo |
-----------------------------------------------
| 0.0 |   0.000 |    0.000 |  0.000 |   0.000 |
| 0.1 |   0.089 |    0.095 |  0.211 |   0.248 |
| 0.2 |   0.189 |    0.181 |  0.320 |   0.345 |
| 0.3 |   0.262 |    0.259 |  0.398 |   0.419 |
| 0.4 |   0.329 |    0.330 |  0.449 |   0.474 |
| 0.5 |   0.392 |    0.394 |  0.499 |   0.520 |
| 0.6 |   0.458 |    0.451 |  0.539 |   0.561 |
| 0.7 |   0.504 |    0.503 |  0.585 |   0.597 |
| 0.8 |   0.558 |    0.551 |  0.619 |   0.629 |
| 0.9 |   0.596 |    0.593 |  0.648 |   0.657 |
| 1.0 |   0.640 |    0.632 |  0.669 |   0.683 |
-----------------------------------------------
| Maximum deviation acentric      :  0.008    |
| Maximum deviation centric       :  0.037    |
|                                             |
| <NZ(obs)-NZ(twinned)>_acentric  : +0.002    |
| <NZ(obs)-NZ(twinned)>_centric   : -0.018    |
-----------------------------------------------


 L test for acentric data

 using difference vectors (dh,dk,dl) of the form: 
(2hp,2kp,2lp)
  where hp, kp, and lp are random signed integers such that 
  2 <= |dh| + |dk| + |dl| <= 8 

  Mean |L|   :0.484  (untwinned: 0.500; perfect twin: 0.375)
  Mean  L^2  :0.320  (untwinned: 0.333; perfect twin: 0.200)

  The distribution of |L| values indicates a twin fraction of
  0.00. Note that this estimate is not as reliable as obtained
  via a Britton plot or H-test if twin laws are available. 






-------------------------------------------------------------------------------
Twinning and intensity statistics summary (acentric data):

Statistics independent of twin laws
  - <I^2>/<I>^2 : 1.965
  - <F>^2/<F^2> : 0.790
  - <|E^2-1|>   : 0.720
  - 
, <L^2>: 0.484, 0.320
       Multivariate Z score L-test: 3.457 
       The multivariate Z score is a quality measure of the given
       spread in intensities. Good to reasonable data is expected
       to have a Z score lower than 3.5. 
       Large values can indicate twinning, but small values do not
       neccesarily exclude it. 


No (pseudo)merohedral twin laws were found.


Patterson analyses
  - Largest peak height   : 6.893
   (correpsonding p value : 5.203e-01)


The largest off-origin peak in the Patterson function is 6.89% of the 
height of the origin peak. No significant pseudotranslation is detected.

The results of the L-test indicate that the intensity statistics
behave as expected. No twinning is suspected.

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


$TABLE: Intensity plots:
$GRAPHS
:Intensity plots 
:A:1,2,3,4:
$$
1/resol^2   <I>_smooth_approximation   <I>_via_binning   <I>_expected   $$ 
$$
0.010126   139486.941851   117568.075670   192996.301041
0.014126   136025.717372   113228.358325   199509.867698
0.018126   141244.389142   220704.187872   181271.030606
0.022126   152617.126951   98548.255670   170355.880346
0.026126   166400.834188   80713.284418   195411.551485
0.030126   184223.036468   132327.794576   232991.705252
0.034126   208268.754493   217487.339531   255223.371172
0.038126   237786.113460   247516.002081   260505.462294
0.042126   269031.143367   258049.616175   264160.932855
0.046126   297221.935942   270787.970814   278168.449830
0.050126   318691.864497   383025.932771   302170.996357
0.054126   332145.751431   368530.548635   327545.323009
0.058126   338743.092028   412612.774697   345995.410467
0.062126   341284.618098   255957.535990   355011.147987
0.066126   343004.064747   255552.617042   357851.134331
0.070126   346443.223314   454843.633896   359958.977623
0.074126   352727.974521   369036.947062   365025.916833
0.078126   361364.912823   310001.690071   372950.922724
0.082126   370508.950331   411617.245330   380222.125574
0.086126   377544.742969   321067.568545   381911.932623
0.090126   379784.814129   355277.584081   373993.933150
0.094126   375103.344865   460224.116483   354932.539726
0.098126   362376.862343   531183.074631   326089.182207
0.102126   341670.301804   269132.275813   291066.514633
0.106126   314171.305277   335253.434367   254459.805345
0.110126   281925.021514   294502.945058   220556.457898
0.114126   247450.179269   207648.678648   192390.851016
0.118126   213324.388304   214077.135370   171337.652133
0.122126   181816.060106   165478.734400   157215.564057
0.126126   154617.917070   126726.705751   148736.686319
0.130126   132709.352058   103992.818686   144090.506926
0.134126   116347.892640   96011.621250   141478.958863
0.138126   105168.246162   107109.219753   139487.396292
0.142126   98353.516810   98640.356814   137253.078396
0.146126   94837.971406   92932.145826   134454.450282
0.150126   93503.357456   103119.653336   131180.250076
0.154126   93339.277830   79932.826346   127747.086860
0.158126   93549.942811   71437.534915   124524.229994
0.162126   93602.129624   100645.339386   121804.016458
0.166126   93220.130798   92623.330861   119733.834156
0.170126   92341.283065   98183.070152   118306.856828
0.174126   91049.564063   89471.840882   117396.437668
0.178126   89504.750932   110567.759430   116813.725338
0.182126   87881.444998   80759.221583   116368.500448
0.186126   86327.020613   73855.612388   115917.596228
0.190126   84941.583053   91856.435837   115391.644213
0.194126   83777.584649   74400.494189   114797.629100
0.198126   82852.836716   92631.449750   114200.604953
0.202126   82168.835048   65707.436125   113692.089538
0.206126   81726.680153   97958.231439   113354.672488
0.210126   81535.065536   81489.290510   113232.167228
0.214126   81608.132252   63544.959098   113312.471610
0.218126   81954.567041   98112.649818   113526.752358
0.222126   82562.275552   79137.175255   113764.436009
0.226126   83384.588710   74905.888680   113899.672081
0.230126   84333.871134   67859.817196   113822.256157
0.234126   85286.602271   85440.649346   113465.037264
0.238126   86100.898157   95882.325853   112820.782270
0.242126   86643.763850   99142.408989   111944.095451
0.246126   86822.025990   98226.396782   110937.673765
0.250126   86608.799605   97205.775586   109926.049800
0.254126   86057.193716   99222.526052   109023.118526
0.258126   85295.068850   59326.483839   108301.409697
0.262126   84498.828823   73341.369838   107770.846134
0.266126   83849.721244   63582.018562   107372.649388
0.270126   83481.739300   84240.384646   106990.583024
0.274126   83434.501993   83275.505583   106477.652139
0.278126   83626.013785   99512.272377   105692.643415
0.282126   83857.924852   100750.578978   104538.360770
0.286126   83859.521335   89428.783330   102992.687289
0.290126   83366.866417   80845.275937   101124.879089
0.294126   82222.092397   77654.048285   99092.516580
0.298126   80467.591609   76159.401140   97118.655925
0.302126   78404.101465   77262.018062   95453.042524
0.306126   76583.588610   63749.113776   94324.823013
0.310126   75719.446677   58836.368851   93896.234555
0.314126   76517.698667   77388.050214   94226.802393
0.318126   79460.438197   70196.556984   95255.610495
0.322126   84599.967025   93110.606756   96805.631855
0.326126   91439.267916   97661.298534   98609.666523
0.330126   98970.551888   124736.737252   100353.071584
0.334126   105909.547861   94517.110493   101725.094688
0.338126   111096.649932   110680.346039   102468.944587
0.342126   113947.325021   96890.298349   102421.089268
0.346126   114751.697399   138450.490690   101532.573410
0.350126   114595.554030   95094.512627   99868.890840
0.354126   114764.796108   145439.035881   97589.333392
0.358126   115756.843904   138040.843744   94910.836534
0.362126   116450.569456   75776.490835   92064.297951
0.366126   114419.104671   96631.462760   89252.554844
0.370126   108319.349167   142691.519187   86618.447140
0.374126   101667.302226   97083.089125   84228.869768
0.378126   101983.264651   67383.647240   82077.008496
0.382278   95144.786853   93899.591976   80028.127871
$$


$TABLE: Z scores and completeness:
$GRAPHS
:Data sanity and completeness check 
:A:1,2,3:
$$
1/resol^2   Z_score   Completeness   $$ 
$$
0.010126   1.444519   1.000000
0.014126   1.769032   1.000000
0.018126   0.703647   1.043478
0.022126   1.974923   1.000000
0.026126   3.400536   1.000000
0.030126   2.327492   1.000000
0.034126   0.711331   1.033333
0.038126   0.220397   1.000000
0.042126   0.099647   1.000000
0.046126   0.118234   1.000000
0.050126   1.074370   1.000000
0.054126   0.538512   1.032258
0.058126   0.834229   1.000000
0.062126   1.676151   1.000000
0.066126   1.712174   1.000000
0.070126   1.115916   1.000000
0.074126   0.051248   1.000000
0.078126   0.955891   1.000000
0.082126   0.391104   1.025000
0.086126   0.852280   1.000000
0.090126   0.245431   1.000000
0.094126   1.208814   1.000000
0.098126   2.156730   1.000000
0.102126   0.382651   1.000000
0.106126   1.245218   1.000000
0.110126   1.462858   1.000000
0.114126   0.395173   1.024390
0.118126   1.176146   1.000000
0.122126   0.299909   1.000000
0.126126   1.029311   1.000000
0.130126   2.071559   1.000000
0.134126   2.461756   1.000000
0.138126   1.632834   1.000000
0.142126   2.042849   0.980392
0.146126   2.303226   1.000000
0.150126   1.462991   0.958333
0.154126   3.176560   1.016667
0.158126   3.473904   0.976744
0.162126   1.235399   1.000000
0.166126   1.686836   0.983333
0.170126   1.155992   1.000000
0.174126   1.671870   1.000000
0.178126   0.329014   1.000000
0.182126   2.254171   1.000000
0.186126   2.728053   1.000000
0.190126   1.440747   1.000000
0.194126   2.667714   0.964286
0.198126   1.284625   0.981818
0.202126   3.352035   1.000000
0.206126   0.926014   0.984848
0.210126   1.996064   1.000000
0.214126   3.374240   0.967742
0.218126   0.873030   0.984615
0.222126   2.103065   0.983871
0.226126   2.342150   0.981132
0.230126   3.059904   1.000000
0.234126   1.705155   0.984127
0.238126   1.007261   0.984615
0.242126   0.698292   1.000000
0.246126   0.794030   0.985915
0.250126   0.788087   1.000000
0.254126   0.600009   0.985075
0.258126   3.609419   0.967742
0.262126   2.370968   0.973333
0.266126   2.966972   0.983607
0.270126   1.412375   0.973333
0.274126   1.349324   0.948276
0.278126   0.356315   0.962025
0.282126   0.211394   0.970149
0.286126   0.811963   0.969697
0.290126   1.301037   0.984615
0.294126   1.492365   0.962500
0.298126   1.469280   0.985507
0.302126   1.284229   0.985507
0.306126   2.327548   0.957746
0.310126   2.651937   0.924242
0.314126   1.174195   0.962500
0.318126   1.723745   0.958904
0.322126   0.223253   0.960526
0.326126   0.053451   0.955882
0.330126   1.238564   1.000000
0.334126   0.400977   0.954545
0.338126   0.453872   0.976471
0.342126   0.309189   0.955224
0.346126   1.871146   0.955056
0.350126   0.284141   0.985915
0.354126   2.244797   0.957746
0.358126   2.213049   0.939759
0.362126   1.111008   0.871795
0.366126   0.461042   0.935897
0.370126   2.829344   0.939024
0.374126   0.755209   0.893939
0.378126   1.013137   0.840580
0.382278   0.764163   0.714286
$$


$TABLE: <I/sigma_I>:
$GRAPHS
:Signal to noise 
:N:1,2:
$$
1/resol^2   <I/sigma_I>;_Signal_to_noise   $$ 
$$
0.002677   100.119265
0.006677   130.330544
0.010677   100.629233
0.014677   81.551672
0.018677   104.286939
0.022677   82.919324
0.026677   72.217201
0.030677   78.749577
0.034677   87.309094
0.038677   79.827579
0.042677   98.439650
0.046677   79.676368
0.050677   74.361627
0.054677   80.470598
0.058677   73.483400
0.062677   70.925360
0.066677   57.732659
0.070677   78.074102
0.074677   57.048482
0.078677   71.611804
0.082677   57.633122
0.086677   58.391210
0.090677   58.440041
0.094677   49.615898
0.098677   68.919943
0.102677   47.544067
0.106677   55.727351
0.110677   56.882859
0.114677   56.959134
0.118677   61.242879
0.122677   49.794371
0.126677   50.036965
0.130677   38.369990
0.134677   39.791978
0.138677   58.006801
0.142677   50.987594
0.146677   49.003569
0.150677   50.704841
0.154677   39.704595
0.158677   47.461776
0.162677   44.807397
0.166677   49.841328
0.170677   39.251838
0.174677   41.479758
0.178677   40.842305
0.182677   43.138525
0.186677   39.035203
0.190677   38.134674
0.194677   33.156944
0.198677   37.091144
0.202677   30.465878
0.206677   40.842787
0.210677   28.497202
0.214677   31.086103
0.218677   27.019047
0.222677   32.122461
0.226677   30.368960
0.230677   22.601454
0.234677   27.575071
0.238677   28.272892
0.242677   30.392652
0.246677   24.724809
0.250677   29.712422
0.254677   24.141025
0.258677   15.914275
0.262677   17.683204
0.266677   16.141395
0.270677   17.865978
0.274677   16.957327
0.278677   19.451720
0.282677   20.334790
0.286677   16.994760
0.290677   15.728409
0.294677   13.032995
0.298677   14.375370
0.302677   11.406810
0.306677   10.250726
0.310677   8.610924
0.314677   10.754188
0.318677   9.488349
0.322677   12.102290
0.326677   11.183583
0.330677   11.516245
0.334677   10.684580
0.338677   9.209658
0.342677   8.639623
0.346677   11.166413
0.350677   9.423787
0.354677   8.899806
0.358677   9.466241
0.362677   4.861685
0.366677   5.980443
0.370677   7.936254
0.374677   4.203600
0.378677   2.909683
0.382677   3.003947
$$


$TABLE: NZ test:
$GRAPHS
:NZ test, acentric and centric data 
:A:1,2,3,4,5:
$$
z   Acentric_observed   Acentric_untwinned   Centric_observed   Centric_untwinned   $$ 
$$
0.000000   0.000000   0.000000   0.000000   0.000000
0.100000   0.088766   0.095200   0.210804   0.248100
0.200000   0.189319   0.181300   0.320158   0.345300
0.300000   0.261878   0.259200   0.397892   0.418700
0.400000   0.328545   0.329700   0.449275   0.473800
0.500000   0.391529   0.393500   0.499341   0.520500
0.600000   0.458195   0.451200   0.538867   0.561400
0.700000   0.503867   0.503400   0.584980   0.597200
0.800000   0.557643   0.550700   0.619236   0.628900
0.900000   0.596317   0.593400   0.648221   0.657200
1.000000   0.640147   0.632100   0.669302   0.683300
$$


$TABLE: L test,acentric data:
$GRAPHS
:L test, acentric data 
:A:1,2,3,4:
$$
|l|   Observed   Acentric_theory   Acentric_theory,_perfect_twin   $$ 
$$
0.000000   0.010494   0.000000   0.000000
0.020000   0.033231   0.020000   0.029996
0.040000   0.053782   0.040000   0.059968
0.060000   0.075208   0.060000   0.089892
0.080000   0.098819   0.080000   0.119744
0.100000   0.118059   0.100000   0.149500
0.120000   0.137735   0.120000   0.179136
0.140000   0.158286   0.140000   0.208628
0.160000   0.186270   0.160000   0.237952
0.180000   0.206384   0.180000   0.267084
0.200000   0.223437   0.200000   0.296000
0.220000   0.240490   0.220000   0.324676
0.240000   0.262790   0.240000   0.353088
0.260000   0.282029   0.260000   0.381212
0.280000   0.299519   0.280000   0.409024
0.300000   0.319195   0.300000   0.436500
0.320000   0.341058   0.320000   0.463616
0.340000   0.362484   0.340000   0.490348
0.360000   0.378662   0.360000   0.516672
0.380000   0.393091   0.380000   0.542564
0.400000   0.418889   0.400000   0.568000
0.420000   0.438566   0.420000   0.592956
0.440000   0.457805   0.440000   0.617408
0.460000   0.480542   0.460000   0.641332
0.480000   0.502842   0.480000   0.664704
0.500000   0.522956   0.500000   0.687500
0.520000   0.545693   0.520000   0.709696
0.540000   0.563620   0.540000   0.731268
0.560000   0.582860   0.560000   0.752192
0.580000   0.605597   0.580000   0.772444
0.600000   0.623962   0.600000   0.792000
0.620000   0.642326   0.620000   0.810836
0.640000   0.662440   0.640000   0.828928
0.660000   0.676869   0.660000   0.846252
0.680000   0.695234   0.680000   0.862784
0.700000   0.711412   0.700000   0.878500
0.720000   0.730652   0.720000   0.893376
0.740000   0.749016   0.740000   0.907388
0.760000   0.767818   0.760000   0.920512
0.780000   0.788806   0.780000   0.932724
0.800000   0.811544   0.800000   0.944000
0.820000   0.828159   0.820000   0.954316
0.840000   0.840402   0.840000   0.963648
0.860000   0.860516   0.860000   0.971972
0.880000   0.882816   0.880000   0.979264
0.900000   0.902492   0.900000   0.985500
0.920000   0.924355   0.920000   0.990656
0.940000   0.944906   0.940000   0.994708
0.960000   0.964582   0.960000   0.997632
0.980000   0.982073   0.980000   0.999404
$$