#############################################################
##                        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 2006-08-01 Time 16:18:51 PDT -0700


##-------------------------------------------##
## WARNING:                                  ##
## Number of residues unspecified            ##
##-------------------------------------------##


Effective parameters: 
#phil __ON__
scaling.input {
  parameters {
    asu_contents {
      n_residues = None
      n_bases = 12
      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 = "BWS11-I432-1t360.sca"
    obs_labels = None
    calc_labels = None
    unit_cell = 76.748 76.748 76.748 90 90 90
    space_group = "I 4 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: BWS11-I432-1t360.sca:i_obs,sigma
Observation type: xray.amplitude
Type of data: double, size=4282
Type of sigmas: double, size=4282
Number of Miller indices: 4282
Anomalous flag: True
Unit cell: (76.748, 76.748, 76.748, 90, 90, 90)
Space group: I 4 3 2 (No. 211)
Systematic absences: 0
Centric reflections: 613
Resolution range: 22.1552 2.09816
Completeness in resolution range: 0.993273
Completeness with d_max=infinity: 0.992122
Bijvoet pairs: 1828
Lone Bijvoet mates: 13
Anomalous signal: 0.0135

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


Matthews coefficient and Solvent content statistics
----------------------------------------------------------------
| Copies | Solvent content | Matthews Coef. | P(solvent cont.) |
|--------|-----------------|----------------|------------------|
|      1 |      0.513      |      2.524     |       0.993      |
|      2 |      0.026      |      1.262     |       0.007      |
----------------------------------------------------------------
|              Best guess :    1  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 |
----------------------------------------------------------------------------------------
| 22.16 - 5.15 | 100.0%    | 100.0%    | 100.0%    | 99.7%     | 99.0%     | 97.9%     |
|  5.15 - 4.10 | 100.0%    | 100.0%    | 100.0%    | 100.0%    | 100.0%    | 100.0%    |
|  4.10 - 3.58 | 99.7%     | 99.7%     | 99.7%     | 99.0%     | 98.6%     | 98.6%     |
|  3.58 - 3.26 | 99.6%     | 99.3%     | 98.9%     | 98.9%     | 98.2%     | 97.5%     |
|  3.26 - 3.02 | 100.0%    | 100.0%    | 100.0%    | 99.6%     | 99.3%     | 97.8%     |
|  3.02 - 2.85 | 100.0%    | 100.0%    | 100.0%    | 99.0%     | 97.0%     | 96.3%     |
|  2.85 - 2.70 | 98.9%     | 98.2%     | 97.1%     | 95.7%     | 91.4%     | 89.2%     |
|  2.70 - 2.59 | 98.6%     | 98.6%     | 97.9%     | 97.9%     | 96.2%     | 93.7%     |
|  2.59 - 2.49 | 98.0%     | 97.6%     | 97.3%     | 96.3%     | 93.5%     | 87.8%     |
|  2.49 - 2.40 | 98.9%     | 98.9%     | 97.8%     | 97.1%     | 95.2%     | 89.7%     |
|  2.40 - 2.33 | 98.0%     | 97.0%     | 96.3%     | 95.3%     | 91.2%     | 85.8%     |
|  2.33 - 2.26 | 97.0%     | 96.3%     | 95.9%     | 93.7%     | 86.2%     | 77.3%     |
|  2.26 - 2.20 | 97.3%     | 95.0%     | 94.0%     | 91.6%     | 85.9%     | 76.2%     |
|  2.20 - 2.15 | 97.2%     | 95.4%     | 93.2%     | 89.3%     | 77.6%     | 67.6%     |
----------------------------------------------------------------------------------------

  The completeness of data for which I/sig(I)>3.00, exceeds  85% for
  for resolution ranges lower than 2.15A.
  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 BWS11-I432-1t360.sca:i_obs,sigma:
34.35 A**(-2)
Estimated -log of scale factor of BWS11-I432-1t360.sca:i_obs,sigma:
-0.97


Maximum likelihood anisotropic Wilson scaling 
ML estimate of overall B_cart value of BWS11-I432-1t360.sca:i_obs,sigma:
34.35,  0.00,  0.00
       34.35,  0.00
              34.35
Equivalent representation as U_cif: 
 0.44, -0.00, -0.00
        0.44,  0.00
               0.44

ML estimate of  -log of scale factor of BWS11-I432-1t360.sca:i_obs,sigma:
-0.97
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:         - 22.1554 [ 0/5 ] 0.000
bin  1: 22.1554 - 10.4569 [34/34] 1.000
bin  2: 10.4569 -  8.4504 [33/33] 1.000
bin  3:  8.4504 -  7.4282 [33/33] 1.000
bin  4:  7.4282 -  6.7703 [32/32] 1.000
bin  5:  6.7703 -  6.2970 [32/32] 1.000
bin  6:  6.2970 -  5.9332 [31/31] 1.000
bin  7:  5.9332 -  5.6412 [31/31] 1.000
bin  8:  5.6412 -  5.3994 [34/34] 1.000
bin  9:  5.3994 -  5.1943 [32/32] 1.000
bin 10:  5.1943 -  5.0172 [34/34] 1.000
unused:  5.0172 -         [ 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      : 1.23
      ( rms deviation   : 1.06 )
  mean bin completeness : 1.00
     ( rms deviation   : 0.01 )

 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  |   2.06  |   1.00 |     1.000     |
|    3.669  |   2.67  |   0.99 |     0.750     |
|    3.441  |   0.67  |   1.00 |     0.530     |
|    2.671  |   1.35  |   1.00 |     0.170     |
|    2.249  |   0.21  |   0.98 |     0.390     |
------------------------------------------------

 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 




Analyses of anomalous differences

  Table of measurability as a function of resolution

  The measurability is defined as the fraction of 
  Bijvoet related intensity differences for which 
  |delta_I|/sigma_delta_I > 3.0
  min[I(+)/sigma_I(+), I(-)/sigma_I(-)] > 3.0 
  holds. 
  The measurability provides an intuitive feeling
  of the quality of the data, as it is related to the 
  number of reliable Bijvoet differences.
  When the data is processed properly and the standard 
  deviations have been estimated accurately, values larger
  than 0.05 are encouraging. 

unused:         - 22.1565 [  0/5  ]
bin  1: 22.1565 -  4.5089 [434/434]  0.1316
bin  2:  4.5089 -  3.5838 [445/446]  0.0939
bin  3:  3.5838 -  3.1322 [423/424]  0.0618
bin  4:  3.1322 -  2.8464 [427/427]  0.0707
bin  5:  2.8464 -  2.6428 [421/422]  0.0489
bin  6:  2.6428 -  2.4872 [433/438]  0.0518
bin  7:  2.4872 -  2.3628 [418/421]  0.0162
bin  8:  2.3628 -  2.2600 [411/417]  0.0165
bin  9:  2.2600 -  2.1731 [435/441]  0.0103
bin 10:  2.1731 -  2.0982 [435/441]  0.0154
unused:  2.0982 -         [  0/0  ]

 The anomalous signal seems to extend to about 3.2 A
 (or to 2.1 A, from a more optimistic point of view)
 The quoted resolution limits can be used as a guideline
 to decide where to cut the resolution for phenix.hyss


Basic analyses completed

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



Using data between 10.00 to 2.15 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  : 562
Number of acentrics : 3379

 Largest patterson peak with length larger then 15 Angstrom 

 Frac. coord.        :   0.127    0.127    0.127
 Distance to origin  :  16.845
 Height (origin=100) :   6.956
 p_value(height)     :   5.081e-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  5.081e-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    :1.987   (untwinned: 2.000; perfect twin 1.500)
   <F>^2/<F^2>    :0.791   (untwinned: 0.785; perfect twin 0.885)
   <|E^2 - 1|>    :0.722   (untwinned: 0.736; perfect twin 0.541)


Centric reflections 
   <I^2>/<I>^2    :3.019   (untwinned: 3.000; perfect twin 2.000)
   <F>^2/<F^2>    :0.639   (untwinned: 0.637; perfect twin 0.785)
   <|E^2 - 1|>    :0.978   (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 |   0.085 |    0.095 |  0.219 |   0.248 |
| 0.2 |   0.184 |    0.181 |  0.326 |   0.345 |
| 0.3 |   0.266 |    0.259 |  0.406 |   0.419 |
| 0.4 |   0.326 |    0.330 |  0.466 |   0.474 |
| 0.5 |   0.391 |    0.394 |  0.516 |   0.520 |
| 0.6 |   0.452 |    0.451 |  0.552 |   0.561 |
| 0.7 |   0.502 |    0.503 |  0.601 |   0.597 |
| 0.8 |   0.557 |    0.551 |  0.626 |   0.629 |
| 0.9 |   0.601 |    0.593 |  0.651 |   0.657 |
| 1.0 |   0.641 |    0.632 |  0.671 |   0.683 |
-----------------------------------------------
| Maximum deviation acentric      :  0.010    |
| Maximum deviation centric       :  0.029    |
|                                             |
| <NZ(obs)-NZ(twinned)>_acentric  : +0.001    |
| <NZ(obs)-NZ(twinned)>_centric   : -0.009    |
-----------------------------------------------


 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|   :0.487  (untwinned: 0.500; perfect twin: 0.375)
  Mean  L^2  :0.319  (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 : 1.987
  - <F>^2/<F^2> : 0.791
  - <|E^2-1|>   : 0.722
  - 
, <L^2>: 0.487, 0.319
       Multivariate Z score L-test: 0.187 
       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   : 6.956
   (correpsonding p value : 5.081e-01)


The largest off-origin peak in the Patterson function is 6.96% 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:
$$
1/resol^2   <I>_smooth_approximation   <I>_via_binning   <I>_expected   $$ 
$$
0.010149   78426.289608   66178.228637   144781.687353
0.014149   80280.789876   63602.413354   149614.929104
0.018149   81292.537370   134769.077004   135851.097255
0.022149   83657.189876   61189.465040   127799.891675
0.026149   91468.034853   43488.133925   146717.916432
0.030149   106529.978864   83287.605918   174882.006836
0.034149   127194.754863   136132.942361   191467.827539
0.038149   150083.277669   153871.392478   195386.006554
0.042149   172112.001501   168902.325538   198154.117002
0.046149   191320.947431   175225.340009   208711.647243
0.050149   206648.794676   247846.505125   226740.374652
0.054149   217509.879973   228831.559604   245756.264759
0.058149   223768.523296   256600.470311   259554.205898
0.062149   226087.884025   176491.108275   266279.777748
0.066149   226215.973900   186312.073412   268395.159764
0.070149   226779.724460   280392.039450   269983.145154
0.074149   230485.242517   249013.279692   273798.579913
0.078149   239011.505002   173246.804654   279748.824197
0.082149   252103.411357   294077.616103   285189.047890
0.086149   267317.525876   253754.011547   286422.707194
0.090149   280597.599455   227246.495531   280437.993468
0.094149   287501.961707   347866.590002   266095.539070
0.098149   284633.649630   380495.491237   244427.945868
0.102149   270746.268576   262348.026420   218144.283916
0.106149   247133.565791   216833.001901   190692.307530
0.110149   217191.265844   239505.586968   165283.889606
0.114149   185347.350779   149393.044045   144188.220095
0.118149   155772.083113   154587.699530   128429.149075
0.122149   131326.224345   142208.477684   117864.878665
0.126149   113078.677032   98660.780376   111526.004904
0.130149   100483.484950   82234.909783   108053.652504
0.134149   92051.151330   88782.100211   106100.257437
0.138149   86180.859299   79071.170040   104606.967901
0.142149   81799.803390   85031.707242   102929.160907
0.146149   78582.786808   73288.239804   100827.751814
0.150149   76737.828711   91110.502587   98370.661831
0.154149   76544.659806   62898.193690   95795.919994
0.158149   77931.322521   62229.795215   93380.384123
0.162149   80325.174335   93193.559009   91342.789592
0.166149   82844.379092   81194.463088   89793.003766
0.170149   84693.873160   82781.462542   88725.300856
0.174149   85509.131691   87405.015286   88044.300562
0.178149   85429.557735   96984.661723   87608.234061
0.182149   84870.001126   82489.905242   87274.547572
0.186149   84180.143570   80332.490012   86936.140417
0.190149   83470.781929   80922.757014   86541.322148
0.194149   82735.161870   87622.503365   86095.629359
0.198149   82076.825231   88134.216545   85648.038093
0.202149   81668.759994   68415.197581   85267.222710
0.206149   81359.327705   88859.806175   85015.016767
0.210149   80568.676780   96677.949248   84924.067972
0.214149   79345.576369   55900.119283   84985.048269
0.218149   79556.747841   80506.893538   85146.113410
0.222149   81809.327992   89223.827366   85324.206504
0.227155   83269.835307   83317.400304   85427.771281
$$


$TABLE: Z scores and completeness:
$GRAPHS
:Data sanity and completeness check 
:A:1,2,3:
$$
1/resol^2   Z_score   Completeness   $$ 
$$
0.010149   2.184596   1.000000
0.014149   2.581691   1.000000
0.018149   0.031799   1.000000
0.022149   2.714706   1.000000
0.026149   4.360160   1.000000
0.030149   3.300165   1.000000
0.034149   1.659783   1.000000
0.038149   1.156483   1.000000
0.042149   0.769707   1.000000
0.046149   0.888949   1.000000
0.050149   0.478564   1.000000
0.054149   0.398226   1.000000
0.058149   0.065347   1.000000
0.062149   2.306768   1.000000
0.066149   2.061022   1.000000
0.070149   0.218345   1.000000
0.074149   0.557331   0.985294
0.078149   2.672531   0.985714
0.082149   0.177096   1.000000
0.086149   0.666816   1.000000
0.090149   1.114616   1.000000
0.094149   1.490716   1.000000
0.098149   2.243068   1.000000
0.102149   1.008655   1.000000
0.106149   0.725641   1.000000
0.110149   2.198299   1.000000
0.114149   0.225558   1.000000
0.118149   1.210687   1.000000
0.122149   1.318117   1.000000
0.126149   0.912939   1.000000
0.130149   2.041068   0.988889
0.134149   1.258849   1.000000
0.138149   2.036334   1.000000
0.142149   1.346995   1.000000
0.146149   2.295010   0.978723
0.150149   0.556628   1.000000
0.154149   3.102394   0.989011
0.158149   3.051819   0.979167
0.162149   0.150642   1.000000
0.166149   0.765078   0.972222
0.170149   0.499025   1.000000
0.174149   0.051375   1.000000
0.178149   0.696815   0.989130
0.182149   0.402817   0.990991
0.186149   0.560518   1.000000
0.190149   0.475567   1.000000
0.194149   0.126115   0.962264
0.198149   0.207270   0.981132
0.202149   1.562908   0.990099
0.206149   0.326303   0.991667
0.210149   0.860518   0.977273
0.214149   2.742774   0.973913
0.218149   0.380515   1.000000
0.222149   0.304525   0.991379
0.227155   0.162547   0.979167
$$


$TABLE: Measurability of Anomalous signal:
$GRAPHS
:Anomalous measurability 
:N:1,2,3:
$$
1/resol^2   Observed_anomalous_measurability   smooth_approximation   $$ 
$$
0.004037   0.000000   0.024358
0.008037   0.166667   0.077503
0.012037   0.000000   0.114743
0.016037   0.181818   0.139209
0.020037   0.166667   0.153585
0.024037   0.153846   0.160154
0.028037   0.214286   0.160840
0.032037   0.176471   0.157247
0.036037   0.000000   0.150698
0.040037   0.166667   0.142264
0.044037   0.142857   0.132801
0.048037   0.100000   0.122978
0.052037   0.166667   0.113299
0.056037   0.222222   0.104132
0.060037   0.040000   0.095729
0.064037   0.083333   0.088245
0.068037   0.038462   0.081756
0.072037   0.103448   0.076277
0.076037   0.035714   0.071773
0.080037   0.080000   0.068173
0.084037   0.088235   0.065379
0.088037   0.000000   0.063277
0.092037   0.035714   0.061746
0.096037   0.062500   0.060659
0.100037   0.090909   0.059894
0.104037   0.096774   0.059335
0.108037   0.057143   0.058875
0.112037   0.057143   0.058420
0.116037   0.088235   0.057890
0.120037   0.078947   0.057217
0.124037   0.028571   0.056349
0.128037   0.031250   0.055248
0.132037   0.024390   0.053887
0.136037   0.095238   0.052253
0.140037   0.029412   0.050341
0.144037   0.022727   0.048158
0.148037   0.000000   0.045718
0.152037   0.073171   0.043040
0.156037   0.139535   0.040151
0.160037   0.022222   0.037080
0.164037   0.027027   0.033864
0.168037   0.024390   0.030541
0.172037   0.023810   0.027158
0.176037   0.000000   0.023768
0.180037   0.000000   0.020432
0.184037   0.000000   0.017226
0.188037   0.000000   0.014243
0.192037   0.046512   0.011597
0.196037   0.020000   0.009434
0.200037   0.022727   0.007936
0.204037   0.025000   0.007332
0.208037   0.000000   0.007911
0.212037   0.000000   0.010029
0.216037   0.021277   0.014130
0.220037   0.000000   0.020760
0.224037   0.017544   0.030583
0.228037   0.062500   0.044403
$$


$TABLE: <I/sigma_I>:
$GRAPHS
:Signal to noise 
:N:1,2:
$$
1/resol^2   <I/sigma_I>;_Signal_to_noise   $$ 
$$
0.004037   100.684562
0.008037   107.980647
0.012037   107.088543
0.016037   106.870742
0.020037   106.577459
0.024037   113.058386
0.028037   108.957255
0.032037   112.583383
0.036037   105.870432
0.040037   115.255374
0.044037   108.102712
0.048037   114.986823
0.052037   108.020088
0.056037   79.363124
0.060037   87.263941
0.064037   91.991328
0.068037   85.012433
0.072037   91.638669
0.076037   85.460965
0.080037   93.158060
0.084037   83.211540
0.088037   63.733338
0.092037   68.342597
0.096037   67.586137
0.100037   66.072593
0.104037   66.845573
0.108037   68.978342
0.112037   62.835469
0.116037   64.867573
0.120037   63.751782
0.124037   60.151762
0.128037   53.868885
0.132037   49.567240
0.136037   50.946369
0.140037   55.326488
0.144037   46.954444
0.148037   56.062622
0.152037   47.814778
0.156037   49.710638
0.160037   52.463532
0.164037   48.760533
0.168037   46.831230
0.172037   48.357416
0.176037   43.832667
0.180037   42.485578
0.184037   40.926092
0.188037   39.296998
0.192037   39.374507
0.196037   37.328889
0.200037   37.813686
0.204037   30.001083
0.208037   34.603569
0.212037   31.081290
0.216037   27.483558
0.220037   26.947917
0.224037   29.691984
0.228037   20.406721
$$


$TABLE: NZ test:
$GRAPHS
:NZ test, acentric and centric data 
:A:1,2,3,4,5:
$$
z   Acentric_observed   Acentric_untwinned   Centric_observed   Centric_untwinned   $$ 
$$
0.000000   0.000000   0.000000   0.000000   0.000000
0.100000   0.085232   0.095200   0.218861   0.248100
0.200000   0.184374   0.181300   0.325623   0.345300
0.300000   0.266055   0.259200   0.405694   0.418700
0.400000   0.326428   0.329700   0.466192   0.473800
0.500000   0.390648   0.393500   0.516014   0.520500
0.600000   0.451613   0.451200   0.551601   0.561400
0.700000   0.502220   0.503400   0.601423   0.597200
0.800000   0.556970   0.550700   0.626335   0.628900
0.900000   0.601065   0.593400   0.651246   0.657200
1.000000   0.641018   0.632100   0.670819   0.683300
$$


$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   0.000000   0.000000   0.000000
0.020000   0.030214   0.020000   0.029996
0.040000   0.052321   0.040000   0.059968
0.060000   0.076271   0.060000   0.089892
0.080000   0.091378   0.080000   0.119744
0.100000   0.112380   0.100000   0.149500
0.120000   0.131172   0.120000   0.179136
0.140000   0.150700   0.140000   0.208628
0.160000   0.168755   0.160000   0.237952
0.180000   0.187178   0.180000   0.267084
0.200000   0.203758   0.200000   0.296000
0.220000   0.225497   0.220000   0.324676
0.240000   0.242815   0.240000   0.353088
0.260000   0.267133   0.260000   0.381212
0.280000   0.291083   0.280000   0.409024
0.300000   0.311349   0.300000   0.436500
0.320000   0.334562   0.320000   0.463616
0.340000   0.352985   0.340000   0.490348
0.360000   0.367723   0.360000   0.516672
0.380000   0.388357   0.380000   0.542564
0.400000   0.408254   0.400000   0.568000
0.420000   0.421887   0.420000   0.592956
0.440000   0.448784   0.440000   0.617408
0.460000   0.470523   0.460000   0.641332
0.480000   0.489683   0.480000   0.664704
0.500000   0.511054   0.500000   0.687500
0.520000   0.529108   0.520000   0.709696
0.540000   0.550111   0.540000   0.731268
0.560000   0.568902   0.560000   0.752192
0.580000   0.588799   0.580000   0.772444
0.600000   0.611643   0.600000   0.792000
0.620000   0.630803   0.620000   0.810836
0.640000   0.654753   0.640000   0.828928
0.660000   0.678335   0.660000   0.846252
0.680000   0.702284   0.680000   0.862784
0.700000   0.722181   0.700000   0.878500
0.720000   0.741710   0.720000   0.893376
0.740000   0.758659   0.740000   0.907388
0.760000   0.784083   0.760000   0.920512
0.780000   0.802506   0.780000   0.932724
0.800000   0.827192   0.800000   0.944000
0.820000   0.845247   0.820000   0.954316
0.840000   0.860354   0.840000   0.963648
0.860000   0.880251   0.860000   0.971972
0.880000   0.901621   0.880000   0.979264
0.900000   0.918202   0.900000   0.985500
0.920000   0.936625   0.920000   0.990656
0.940000   0.949521   0.940000   0.994708
0.960000   0.966470   0.960000   0.997632
0.980000   0.983788   0.980000   0.999404
$$