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 ### CCP4 6.4: ctruncate            version 1.13.13 : 27/02/14##
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 User: unknown  Run date: 15/ 5/2014 Run time: 03:34:15 


 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.

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USER SUPPLIED INPUT:

hklin 	/dls/i04-1/data/2014/nt5073-16/tmp/BAZ2BA/BAZ2BA-x828/BAZ2BA-x828_1_/xia2-3daii-run/1400120766/xBAZ2BAx8281/scale/nt5073v16_xBAZ2BAx8281_scaled.mtz
hklout 	/dls/i04-1/data/2014/nt5073-16/tmp/BAZ2BA/BAZ2BA-x828/BAZ2BA-x828_1_/xia2-3daii-run/1400120766/xBAZ2BAx8281/scale/SAD_truncated.mtz
colano 	/*/*/[I(+),SIGI(+),I(-),SIGI(-)]
colin 	/*/*/[IMEAN,SIGIMEAN]
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CRYSTAL INFO:

Crystal/dataset names: /xBAZ2BAx8281/SAD
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Ncentric = 1967
Number of centric bins = 60
<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->
Cell parameters:    83.0900    96.7900    57.9500    90.0000    90.0000    90.0000

Number of reflections: 18775

Minimum resolution =  42.665 A
Maximum resolution =   1.900 A
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Environment variable SYMINFO not set ... guessing location of symmetry file. 
 SYMINFO file set to /dls_sw/apps/ccp4/x86_64/6.4.0/8apr2014/ccp4-6.4.0/lib/data/syminfo.lib 
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Spacegroup: C 2 2 21 (number   20)
Pointgroup: PG222

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$TABLE: Intensity Completeness:
$GRAPHS: Completeness v resolution:N:1,2,3,4,5,6:
$$ 1/resol^2 completeness sig1 sig2 sig3 standard$$
$$
  0.002309   0.8286   0.8286   0.8286   0.8286   0.0411
  0.006927   1.0000   1.0000   1.0000   1.0000   0.0263
  0.011544   0.9724   0.9724   0.9724   0.9724   0.0313
  0.016162   1.0000   1.0000   1.0000   1.0000   0.0308
  0.020780   1.0000   0.9890   0.9780   0.9780   0.0548
  0.025397   1.0000   1.0000   1.0000   1.0000   0.0376
  0.030015   1.0000   1.0000   1.0000   0.9856   0.0438
  0.034633   1.0000   0.9901   0.9901   0.9604   0.1101
  0.039250   0.9904   0.9904   0.9809   0.9809   0.0359
  0.043868   0.9918   0.9551   0.9510   0.9510   0.5351
  0.048486   0.9832   0.9748   0.9748   0.9580   0.0543
  0.053103   0.9668   0.9585   0.9585   0.9585   0.0598
  0.057721   1.0000   0.9924   0.9924   0.9924   0.0518
  0.062339   1.0000   0.9922   0.9844   0.9767   0.1129
  0.066956   0.9926   0.9777   0.9703   0.9628   0.0550
  0.071574   1.0000   0.9794   0.9622   0.9622   0.0518
  0.076192   0.9889   0.9705   0.9705   0.9705   0.0432
  0.080809   0.9966   0.9866   0.9799   0.9732   0.0396
  0.085427   1.0000   1.0000   0.9966   0.9866   0.0451
  0.090045   1.0000   1.0000   1.0000   0.9808   0.0412
  0.094662   1.0000   0.9899   0.9732   0.9497   0.0610
  0.099280   0.9941   0.9765   0.9619   0.9501   0.0716
  0.103898   1.0000   0.9803   0.9671   0.9572   0.2523
  0.108515   1.0000   0.9883   0.9854   0.9650   0.1769
  0.113133   0.9853   0.9500   0.9235   0.9088   0.2433
  0.117751   1.0000   0.9815   0.9508   0.9354   0.0965
  0.122368   1.0000   0.9673   0.9401   0.9210   0.1827
  0.126986   1.0000   0.9911   0.9586   0.9408   0.0899
  0.131604   0.9945   0.9671   0.9397   0.9205   0.1235
  0.136221   1.0000   0.9749   0.9694   0.9582   0.0893
  0.140839   1.0000   0.9718   0.9520   0.9209   0.1223
  0.145457   1.0000   0.9630   0.9365   0.9101   0.1373
  0.150074   1.0000   0.9450   0.9110   0.8586   0.1926
  0.154692   0.9974   0.9617   0.9311   0.8878   0.2187
  0.159310   1.0000   0.9492   0.9061   0.8426   0.2343
  0.163928   0.9945   0.9365   0.8867   0.8425   0.2330
  0.168545   0.9718   0.9176   0.8565   0.8212   0.2072
  0.173163   1.0000   0.9181   0.8635   0.8337   0.4977
  0.177781   1.0000   0.9271   0.8643   0.8291   0.3049
  0.182398   1.0000   0.8990   0.8317   0.7596   0.7442
  0.187016   0.9834   0.8955   0.8337   0.7791   0.4880
  0.191634   1.0000   0.8649   0.8009   0.7038   0.3061
  0.196251   0.9928   0.8878   0.8496   0.7900   0.2164
  0.200869   1.0000   0.8330   0.7391   0.6636   0.3341
  0.205487   1.0000   0.8481   0.7804   0.7079   0.5945
  0.210104   1.0000   0.8590   0.7766   0.6811   0.4067
  0.214722   0.9977   0.8974   0.7995   0.7226   0.3615
  0.219340   1.0000   0.8432   0.7591   0.6705   0.4407
  0.223957   0.9956   0.8455   0.7373   0.6468   0.4709
  0.228575   0.9935   0.8186   0.6911   0.5875   0.5477
  0.233193   1.0000   0.8087   0.6743   0.5604   0.4570
  0.237810   0.9919   0.7980   0.6747   0.5576   0.5536
  0.242428   1.0000   0.7829   0.6404   0.5219   1.1272
  0.247046   1.0000   0.7394   0.5880   0.4655   0.8188
  0.251663   1.0000   0.7211   0.5930   0.4628   1.0306
  0.256281   1.0000   0.6701   0.5082   0.3914   1.3399
  0.260899   0.9979   0.6688   0.4969   0.3774   1.2433
  0.265516   1.0000   0.6096   0.4196   0.3215   0.7929
  0.270134   1.0000   0.7422   0.5430   0.3984   0.8685
  0.274752   0.9862   0.5503   0.3688   0.2485   1.0678
$$

<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->

COMPLETENESS ANALYSIS (using intensities):

Using I/sigI > 3 with completeness above 0.85, the estimated useful
Resolution Range of this data is  14.716A to   2.524A
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The high resolution cut-off will be used in gathering the statistics for the dataset, however the full dataset will be output

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TRANSLATIONAL NCS:
No translational NCS detected (with resolution limited to  4.00 A)
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<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->

ANISOTROPY ANALYSIS (using intensities):

Eigenvalues:   1.0798   0.6297   0.6129
Eigenvalue ratios:   1.0000   0.5831   0.5676
Resolution limit in weakest direction =   2.836 A
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Anisotropic U (orthogonal coords):

|   1.0798   0.0000   0.0000 |
|   0.0000   0.6297   0.0000 |
|   0.0000   0.0000   0.6129 |

Anisotropic U scaling (fractional coords):

|   1.564e-04   9.277e-21   5.385e-20 |
|   9.277e-21   6.721e-05   4.725e-20 |
|   5.385e-20   4.725e-20   1.825e-04 |

Anisotropic B scaling (fractional coords):

|   1.235e-02   7.325e-19   4.252e-18 |
|   7.325e-19   5.307e-03   3.730e-18 |
|   4.252e-18   3.730e-18   1.441e-02 |

$TABLE: Intensity statistics:
$GRAPHS: Mn(I) v resolution:N:1,2,3,4,5:
: Mn(I/sd) v resolution:N:1,6,7,8,9:
: No. reflections v resolution:N:1,10,11,12,13:
$$ 1/resol^2 Mn(I(d1)) Mn(I(d2)) Mn(I(d3)) Mn(I(ov) Mn(I/sd(d1)) Mn(I/sd(d2)) Mn(I/sd(d3)) Mn(I/sd(ov)) N(d1) N(d2) N(d3) N(ov)$$
$$
  0.002309   1.7983e+03   1.1679e+03   8.8871e+02   1.3566e+03   5.6201e+01   4.5104e+01   5.3921e+01   5.5636e+01       72       64       40      408
  0.006927   1.4707e+03   1.0442e+03   1.3016e+03   1.2895e+03   6.1922e+01   5.6514e+01   5.9836e+01   6.1852e+01       96      120      112      704
  0.011544   8.0358e+02   6.7682e+02   1.3692e+03   9.2107e+02   5.5477e+01   5.3629e+01   6.2357e+01   5.9789e+01      128      128      120      848
  0.016162   2.6131e+02   6.6909e+02   7.8349e+02   6.0955e+02   4.7045e+01   5.2392e+01   4.7988e+01   5.4477e+01      160      160      112      984
  0.020780   2.8483e+02   2.6369e+02   6.2699e+02   4.0778e+02   4.5229e+01   4.6013e+01   5.3508e+01   5.2285e+01      192      168      168     1144
  0.025397   1.2682e+02   2.8338e+02   3.1463e+02   3.5927e+02   3.4720e+01   4.3503e+01   4.3229e+01   4.8835e+01      176      168      152     1200
  0.030015   2.8709e+02   3.5438e+02   5.8269e+02   4.2919e+02   4.4194e+01   4.4736e+01   5.1567e+01   4.9418e+01      176      192      216     1336
  0.034633   2.5892e+02   3.2910e+02   3.9490e+02   3.7490e+02   4.9084e+01   4.5929e+01   4.7894e+01   4.9904e+01      192      192      152     1352
  0.039250   2.4413e+02   4.5527e+02   5.7843e+02   4.8672e+02   4.8256e+01   4.9595e+01   5.2279e+01   5.0765e+01      224      200      208     1408
  0.043868   2.6330e+02   7.6643e+02   4.2769e+02   5.4031e+02   4.7555e+01   4.3673e+01   3.5161e+01   4.3615e+01      208      248      232     1632
  0.048486   4.7149e+02   1.0798e+03   5.0223e+02   6.4208e+02   5.0503e+01   4.8344e+01   4.4242e+01   4.8663e+01      256      232      160     1592
  0.053103   3.1899e+02   6.3841e+02   8.1575e+02   5.2990e+02   4.2728e+01   4.6600e+01   4.8800e+01   4.6563e+01      264      216      256     1656
  0.057721   3.2108e+02   6.6578e+02   4.9177e+02   5.5634e+02   4.1935e+01   4.5519e+01   4.6934e+01   4.8826e+01      232      232      232     1784
  0.062339   3.9556e+02   5.2778e+02   5.4261e+02   4.8520e+02   4.2840e+01   4.3642e+01   4.6794e+01   4.7253e+01      240      256      240     1760
  0.066956   3.8243e+02   6.8585e+02   6.7245e+02   5.3528e+02   4.4006e+01   5.1153e+01   5.3213e+01   4.8335e+01      288      296      264     1912
  0.071574   3.9930e+02   7.0026e+02   6.2798e+02   5.2334e+02   4.7346e+01   4.6547e+01   4.7740e+01   4.6843e+01      272      248      256     1984
  0.076192   3.3097e+02   4.5686e+02   6.2464e+02   4.6157e+02   4.3699e+01   4.8275e+01   4.6028e+01   4.6867e+01      280      304      280     1904
  0.080809   2.4757e+02   4.5250e+02   6.0823e+02   3.8951e+02   3.6444e+01   4.5185e+01   5.2893e+01   4.4271e+01      272      288      264     2112
  0.085427   2.2217e+02   5.3299e+02   4.6719e+02   3.4295e+02   3.8743e+01   4.6285e+01   4.3888e+01   4.2059e+01      312      312      280     2080
  0.090045   1.5350e+02   4.5293e+02   3.0386e+02   2.7687e+02   3.3702e+01   4.5831e+01   4.2128e+01   4.1026e+01      320      296      320     2232
  0.094662   1.4875e+02   3.4532e+02   2.2377e+02   2.1912e+02   3.6677e+01   4.1510e+01   4.0344e+01   3.8383e+01      288      304      256     2112
  0.099280   8.6288e+01   2.4543e+02   2.6586e+02   1.9584e+02   2.5364e+01   3.7592e+01   4.2983e+01   3.5717e+01      336      312      384     2384
  0.103898   9.7824e+01   1.5407e+02   1.4788e+02   1.4793e+02   2.7838e+01   3.2006e+01   3.4891e+01   3.3312e+01      312      336      256     2200
  0.108515   6.0890e+01   1.9701e+02   2.2218e+02   1.4290e+02   2.0996e+01   3.3361e+01   3.9878e+01   3.1047e+01      352      328      344     2432
  0.113133   3.9950e+01   1.5120e+02   1.6688e+02   1.3504e+02   1.6650e+01   2.8929e+01   3.4619e+01   2.9977e+01      304      320      352     2416
  0.117751   6.0467e+01   1.1218e+02   1.9413e+02   1.0745e+02   2.1901e+01   2.5472e+01   3.5693e+01   2.7315e+01      360      344      280     2336
  0.122368   5.2403e+01   9.6960e+01   1.3946e+02   9.7566e+01   2.0520e+01   2.3574e+01   3.4164e+01   2.6512e+01      320      352      392     2624
  0.126986   4.5955e+01   1.3746e+02   1.2220e+02   8.8654e+01   1.9565e+01   2.8492e+01   3.1637e+01   2.5444e+01      360      392      376     2488
  0.131604   4.7372e+01   1.1653e+02   7.7501e+01   8.4732e+01   1.9051e+01   2.5907e+01   2.5261e+01   2.4277e+01      352      328      304     2600
  0.136221   4.4202e+01   1.2230e+02   9.3212e+01   8.0394e+01   1.8228e+01   2.6899e+01   2.9264e+01   2.4221e+01      384      360      376     2616
  0.140839   3.1818e+01   8.0608e+01   6.9704e+01   5.7844e+01   1.4112e+01   2.2663e+01   2.4668e+01   1.9896e+01      368      400      336     2560
  0.145457   2.7942e+01   6.8542e+01   6.0068e+01   5.3994e+01   1.3881e+01   1.8754e+01   2.2376e+01   1.8809e+01      328      360      392     2736
  0.150074   2.3078e+01   6.0359e+01   8.3449e+01   5.1335e+01   1.1235e+01   1.7670e+01   2.5934e+01   1.8423e+01      432      352      384     2792
  0.154692   1.7833e+01   5.3167e+01   4.9989e+01   4.2609e+01   1.0569e+01   1.5465e+01   1.7323e+01   1.4927e+01      376      432      384     2832
  0.159310   1.6897e+01   5.5903e+01   6.0012e+01   4.1689e+01   9.3307e+00   1.4837e+01   1.8130e+01   1.3784e+01      432      352      400     2872
  0.163928   1.6207e+01   6.1337e+01   6.4808e+01   3.9821e+01   8.9150e+00   1.5113e+01   1.8900e+01   1.3278e+01      352      416      336     2672
  0.168545   1.4072e+01   5.8648e+01   6.3024e+01   3.7057e+01   8.2575e+00   1.5907e+01   1.9772e+01   1.3202e+01      432      408      392     3000
  0.173163   1.4567e+01   5.1278e+01   5.9889e+01   3.5559e+01   8.3084e+00   1.5155e+01   1.9734e+01   1.3184e+01      408      448      480     2928
  0.177781   1.1848e+01   5.0223e+01   4.6794e+01   3.0389e+01   7.0388e+00   1.5337e+01   1.6161e+01   1.1712e+01      400      392      368     2936
  0.182398   1.0593e+01   3.6597e+01   3.4505e+01   2.4266e+01   6.2813e+00   1.1909e+01   1.4589e+01   1.0292e+01      432      448      368     3080
  0.187016   7.4913e+00   4.5143e+01   4.6042e+01   2.9027e+01   4.6584e+00   1.3112e+01   1.7575e+01   1.1335e+01      408      376      472     3040
  0.191634   7.7314e+00   4.5126e+01   4.7704e+01   2.6474e+01   4.6018e+00   1.2508e+01   1.6924e+01   1.0032e+01      456      480      432     3080
  0.196251   1.0636e+01   3.7818e+01   4.5401e+01   2.6799e+01   5.2985e+00   1.1057e+01   1.6197e+01   1.0037e+01      392      360      344     3088
  0.200869   6.8804e+00   2.8408e+01   4.2559e+01   2.1083e+01   3.8828e+00   8.3268e+00   1.5365e+01   8.1874e+00      448      456      472     3216
  0.205487   5.9893e+00   2.9023e+01   4.2461e+01   2.2240e+01   3.5287e+00   9.8487e+00   1.5323e+01   8.9225e+00      408      448      496     3136
  0.210104   5.8558e+00   2.8419e+01   4.2995e+01   1.9859e+01   3.6540e+00   8.4856e+00   1.5897e+01   8.1003e+00      480      488      408     3384
  0.214722   7.1258e+00   2.3481e+01   3.4128e+01   1.8929e+01   4.1506e+00   8.5384e+00   1.4463e+01   8.2682e+00      416      456      368     3152
  0.219340   4.7238e+00   2.2687e+01   3.3315e+01   1.6566e+01   3.0619e+00   7.4390e+00   1.3305e+01   7.2413e+00      496      424      496     3280
  0.223957   4.6132e+00   2.3120e+01   3.5773e+01   1.5692e+01   2.8684e+00   7.9737e+00   1.4354e+01   6.9558e+00      448      432      488     3344
  0.228575   2.7026e+00   2.0603e+01   2.7708e+01   1.2871e+01   1.8052e+00   7.4349e+00   1.2636e+01   6.0967e+00      424      488      416     3408
  0.233193   3.5036e+00   1.4861e+01   3.1692e+01   1.2770e+01   2.0714e+00   5.4544e+00   1.2383e+01   5.7957e+00      512      464      448     3232
  0.237810   2.6273e+00   1.4038e+01   2.3747e+01   1.0936e+01   1.7281e+00   5.6909e+00   1.0976e+01   5.3999e+00      448      488      504     3648
  0.242428   2.8556e+00   1.2731e+01   1.8892e+01   9.1971e+00   1.8829e+00   5.6022e+00   9.1469e+00   4.7807e+00      432      440      504     3384
  0.247046   1.8911e+00   1.0492e+01   1.8285e+01   8.5067e+00   1.2611e+00   4.8127e+00   8.3207e+00   4.3066e+00      528      520      416     3336
  0.251663   1.7211e+00   8.1713e+00   1.7552e+01   7.7904e+00   1.1416e+00   4.1201e+00   8.4650e+00   4.1350e+00      464      488      464     3616
  0.256281   1.2065e+00   7.1123e+00   1.5977e+01   6.2549e+00   8.1276e-01   3.7113e+00   8.1027e+00   3.3822e+00      456      504      472     3560
  0.260899   1.4230e+00   7.0339e+00   1.1747e+01   5.6669e+00   9.6486e-01   3.5708e+00   5.9705e+00   3.0916e+00      552      488      496     3584
  0.265516   7.7262e-01   5.0051e+00   1.0615e+01   5.0801e+00   4.1505e-01   2.6492e+00   5.7175e+00   2.7625e+00      440      480      496     3576
  0.270134   2.5423e+00   7.1535e+00   1.1388e+01   6.0496e+00   1.5484e+00   3.4745e+00   5.5691e+00   3.1496e+00      512      536      552     3744
  0.274752   4.5758e-01   3.9101e+00   8.1313e+00   3.5431e+00   2.7707e-01   2.0895e+00   4.3270e+00   1.9628e+00      528      488      472     3744
$$


TWINNING ANALYSIS:


Data has been truncated at   2.52 A resolution
Anisotropy correction has been applied before calculating twinning tests


L test for twinning: (Padilla and Yeates Acta Cryst. D59 1124 (2003))
L statistic =  0.490  (untwinned 0.5 perfect twin 0.375)
Data has used to   2.52 A resolution


$TABLE: L test for twinning:
$GRAPHS: cumulative distribution function for |L|:0|1x0|1:1,2,3,4:
$$ |L| Observed Expected_untwinned Expected_twinned $$
$$
0.000000 0.000000 0.000000 0.000000
0.050000 0.056799 0.050000 0.074938
0.100000 0.107260 0.100000 0.149500
0.150000 0.157406 0.150000 0.223312
0.200000 0.208094 0.200000 0.296000
0.250000 0.258085 0.250000 0.367188
0.300000 0.307762 0.300000 0.436500
0.350000 0.360203 0.350000 0.503562
0.400000 0.409392 0.400000 0.568000
0.450000 0.460917 0.450000 0.629437
0.500000 0.512265 0.500000 0.687500
0.550000 0.563523 0.550000 0.741812
0.600000 0.614572 0.600000 0.792000
0.650000 0.663928 0.650000 0.837688
0.700000 0.712939 0.700000 0.878500
0.750000 0.761706 0.750000 0.914062
0.800000 0.810265 0.800000 0.944000
0.850000 0.859228 0.850000 0.967937
0.900000 0.907817 0.900000 0.985500
0.950000 0.955620 0.950000 0.996313
1.000000 1.000000 1.000000 1.000000
$$

$TABLE: Acentric moments of I:
$GRAPHS: 2nd moment of I 2.020 (Expected value = 2, Perfect Twin = 1.5):0|0.277x0|5:1,2:
: 3rd & 4th moments of I (Expected values = 6, 24, Perfect twin = 3, 7.5):0|0.277x0|2:1,3,4:
$$ 1/resol^2 <I**2> <I**3> <I**4> $$
$$
  0.004618   1.771346   4.434868  13.960709
  0.013853   1.922791   5.230269  17.731426
  0.023088   2.090817   6.639906  28.142697
  0.032323   1.849587   4.706049  14.210078
  0.041559   1.975289   5.843347  22.763861
  0.050794   2.141830   6.794906  26.851565
  0.060029   1.967456   5.518220  18.734536
  0.069264   1.796329   4.771238  17.227452
  0.078500   2.098245   6.828676  29.543431
  0.087735   1.947419   5.468731  19.168054
  0.096970   1.957181   5.513217  19.394741
  0.106205   2.039216   6.134216  23.741581
  0.115441   2.000893   5.871477  21.822148
  0.124676   2.128323   7.225837  33.718105
  0.133911   1.971307   5.544571  18.898213
  0.143146   2.210102   7.690329  35.659604
  0.152382   2.256603   8.190277  40.216137
  0.161617   2.158120   7.734895  37.954861
  0.170852   2.243217   7.305323  29.354152
  0.180087   2.038386   6.021506  22.802459
  0.189323   2.250491   7.810923  35.921607
  0.198558   2.650135  11.598271  67.580359
  0.207793   2.539098  10.690497  58.669078
  0.217028   2.621528  11.843443  75.166012
  0.226264   2.621196  11.424483  66.265731
  0.235499   2.291640   7.790717  33.173439
  0.244734   2.676249  11.331921  62.887752
  0.253970   2.705480  10.505375  49.967094
  0.263205   2.645889  10.881473  60.094481
  0.272440   3.166826  14.192570  85.218746
$$

$TABLE: Centric moments of I:
$GRAPHS: 2nd moment of I 0.701 (Expected = 3, Perfect Twin = 2):0|0.277x0|5:1,2:
: 3rd & 4th moments of I (Expected = 15, 105, Perfect Twin = 6, 24):0|0.277x0|4:1,3,4:
$$ 1/resol^2 <I**2> <I**3> <I**4> $$
$$
  0.004618   0.613144   1.127731   2.367067
  0.013853   0.610496   0.932332   1.602063
  0.023088   0.955115   2.347968   6.709654
  0.032323   0.672867   1.484385   4.164574
  0.041559   0.564063   0.846246   1.476522
  0.050794   0.564554   0.945622   1.903368
  0.060029   0.700560   1.280129   2.710848
  0.069264   0.661446   1.213229   2.695632
  0.078500   0.601651   1.189851   3.010706
  0.087735   0.535805   0.917907   1.938058
  0.096970   0.583010   1.127073   2.675118
  0.106205   1.192872   4.089412  17.808567
  0.115441   0.713292   1.609994   4.393557
  0.124676   0.744335   1.590257   3.982052
  0.133911   0.600320   1.053452   2.242017
  0.143146   0.762945   2.064515   6.749372
  0.152382   0.911676   2.801344  10.575569
  0.161617   0.661499   1.130065   2.229146
  0.170852   0.683634   1.435746   3.639319
  0.180087   0.817233   1.833481   4.866019
  0.189323   0.883095   2.663821   9.627023
  0.198558   0.818623   1.770614   4.497501
  0.207793   0.646279   1.245907   2.754778
  0.217028   0.911523   2.093682   5.769964
  0.226264   1.377394   4.592209  16.893109
  0.235499   0.677051   1.422546   3.415960
  0.244734   1.024780   3.019833  11.499305
  0.253970   0.853474   1.875661   4.673011
  0.263205   0.953371   2.545447   8.588764
  0.272440   1.276775   4.156321  16.552276
$$


Mean acentric moments I from input data:

  <I^2>/<I>^2 =  2.020 (Expected =  2.000, Perfect Twin =  1.500)
  <I^3>/<I>^3 =  6.106 (Expected value =  6.000, Perfect Twin =  3.000)
  <I^4>/<I>^4 = 24.054 (Expected value = 24.000, Perfect Twin =  7.500)


Mean acentric moments I from anisotropically corrected data:

  <I^2>/<I>^2 =  1.917 (Expected =  2.000, Perfect Twin =  1.500)
  <I^3>/<I>^3 =  5.350 (Expected value =  6.000, Perfect Twin =  3.000)
  <I^4>/<I>^4 = 19.344 (Expected value = 24.000, Perfect Twin =  7.500)


Twin fraction estimates excluding operators
  Twin fraction estimate from L-test:  0.039
  Twin fraction estimate from moments: 0.044

Twin fraction estimates by operator

  No operators found

<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->
TWINNING SUMMARY

Twinning fraction from H-test:   0.00
L-statistic from L-Test:         0.49

   Relation between L statistics and twinning fraction:
      Twinning fraction = 0.000  L statistics = 0.500:
      Twinning fraction = 0.100  L statistics = 0.440:
      Twinning fraction = 0.500  L statistics = 0.375:
NO Twinning detected

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

Analysis of mean intensity by parity for reflection classes

For each class, Mn(I/sig(I)) is given for even and odd parity with respect to the condition,
eg group 1: h even & odd; group 7 h+k+l even & odd; group 8 h+k=2n & h+l=2n & k+l=2n or not

 Range    Min_S    Dmax    Nref     1           2           3           4           5           6           7           8
                                    h           k           l          h+k         h+l         k+l        h+k+l    h+k,h+l,k+l
     1   0.00131  27.65      39 43.6 55.2   43.6 55.2   44.1 53.9   48.3  0.0   45.1 51.7   45.1 51.7   44.1 53.9   45.1 51.7
     2   0.00393  15.96      46 47.2 65.4   47.2 65.4   50.5 61.8   55.1  0.0   53.9 56.3   53.9 56.3   50.5 61.8   53.9 56.3
     3   0.00654  12.36      52 52.7 66.1   52.7 66.1   55.7 62.9   59.1  0.0   61.4 56.5   61.4 56.5   55.7 62.9   61.4 56.5
     4   0.00916  10.45      57 51.6 66.2   51.6 66.2   55.8 59.3   57.5  0.0   54.5 60.5   54.5 60.5   55.8 59.3   54.5 60.5
     5   0.01178   9.22      62 51.7 59.1   51.7 59.1   55.0 55.5   55.2  0.0   54.2 56.1   54.2 56.1   55.0 55.5   54.2 56.1
     6   0.01439   8.34      73 49.2 56.7   49.2 56.7   49.1 55.7   52.5  0.0   52.0 53.0   52.0 53.0   49.1 55.7   52.0 53.0
     7   0.01701   7.67      69 53.2 50.9   53.2 50.9   49.7 54.7   52.0  0.0   50.9 52.9   50.9 52.9   49.7 54.7   50.9 52.9
     8   0.01963   7.14      86 44.5 52.1   44.5 52.1   47.0 48.9   47.8  0.0   46.2 50.1   46.2 50.1   47.0 48.9   46.2 50.1
     9   0.02224   6.71      76 47.8 44.7   47.8 44.7   46.4 46.3   46.3  0.0   44.6 47.8   44.6 47.8   46.4 46.3   44.6 47.8
    10   0.02486   6.34      92 48.4 47.1   48.4 47.1   45.9 49.7   47.7  0.0   48.6 46.8   48.6 46.8   45.9 49.7   48.6 46.8
    11   0.02748   6.03      89 41.5 50.8   41.5 50.8   46.8 44.3   45.6  0.0   44.7 46.4   44.7 46.4   46.8 44.3   44.7 46.4
    12   0.03009   5.76     102 44.9 51.9   44.9 51.9   45.5 51.6   48.1  0.0   43.9 52.3   43.9 52.3   45.5 51.6   43.9 52.3
    13   0.03271   5.53      88 45.3 50.7   45.3 50.7   46.8 49.3   48.0  0.0   48.5 47.4   48.5 47.4   46.8 49.3   48.5 47.4
    14   0.03533   5.32     109 45.0 52.7   45.0 52.7   48.4 48.7   48.5  0.0   49.1 48.1   49.1 48.1   48.4 48.7   49.1 48.1
    15   0.03794   5.13     105 45.1 53.9   45.1 53.9   45.1 53.1   49.1  0.0   47.6 50.8   47.6 50.8   45.1 53.1   47.6 50.8
    16   0.04056   4.97     102 41.7 46.4   41.7 46.4   40.5 48.1   44.1  0.0   45.2 43.0   45.2 43.0   40.5 48.1   45.2 43.0
    17   0.04318   4.81     116 41.8 41.1   41.8 41.1   41.2 41.8   41.5  0.0   41.7 41.3   41.7 41.3   41.2 41.8   41.7 41.3
    18   0.04579   4.67     102 41.9 47.7   41.9 47.7   43.7 46.2   44.7  0.0   42.2 47.3   42.2 47.3   43.7 46.2   42.2 47.3
    19   0.04841   4.55     119 48.7 49.7   48.7 49.7   48.5 49.9   49.2  0.0   48.3 50.2   48.3 50.2   48.5 49.9   48.3 50.2
    20   0.05103   4.43     115 49.0 43.7   49.0 43.7   47.5 45.4   46.5  0.0   48.3 44.9   48.3 44.9   47.5 45.4   48.3 44.9
    21   0.05364   4.32     121 42.4 50.1   42.4 50.1   45.2 47.1   46.1  0.0   47.7 44.6   47.7 44.6   45.2 47.1   47.7 44.6
    22   0.05626   4.22     127 43.2 50.1   43.2 50.1   45.8 46.7   46.2  0.0   46.7 45.7   46.7 45.7   45.8 46.7   46.7 45.7
    23   0.05888   4.12     130 46.1 49.9   46.1 49.9   47.9 48.3   48.1  0.0   50.2 46.3   50.2 46.3   47.9 48.3   50.2 46.3
    24   0.06149   4.03     127 43.0 46.4   43.0 46.4   41.0 48.2   44.5  0.0   41.3 48.4   41.3 48.4   41.0 48.2   41.3 48.4
    25   0.06411   3.95     130 47.1 48.0   47.1 48.0   47.7 47.3   47.5  0.0   45.8 49.1   45.8 49.1   47.7 47.3   45.8 49.1
    26   0.06673   3.87     134 45.1 49.0   45.1 49.0   44.7 49.8   47.0  0.0   46.8 47.2   46.8 47.2   44.7 49.8   46.8 47.2
    27   0.06934   3.80     139 44.7 49.9   44.7 49.9   44.9 49.7   47.3  0.0   48.1 46.6   48.1 46.6   44.9 49.7   48.1 46.6
    28   0.07196   3.73     145 43.8 44.9   43.8 44.9   41.2 47.5   44.3  0.0   40.0 48.8   40.0 48.8   41.2 47.5   40.0 48.8
    29   0.07458   3.66     126 45.0 47.3   45.0 47.3   45.5 46.8   46.2  0.0   45.8 46.5   45.8 46.5   45.5 46.8   45.8 46.5
    30   0.07719   3.60     149 42.4 44.9   42.4 44.9   41.0 46.6   43.7  0.0   44.2 43.0   44.2 43.0   41.0 46.6   44.2 43.0
    31   0.07981   3.54     145 40.7 45.7   40.7 45.7   41.9 44.4   43.1  0.0   45.9 40.0   45.9 40.0   41.9 44.4   45.9 40.0
    32   0.08243   3.48     146 40.5 41.8   40.5 41.8   39.3 43.4   41.2  0.0   40.2 42.0   40.2 42.0   39.3 43.4   40.2 42.0
    33   0.08504   3.43     151 41.9 41.6   41.9 41.6   41.1 42.4   41.8  0.0   42.9 40.7   42.9 40.7   41.1 42.4   42.9 40.7
    34   0.08766   3.38     157 39.5 39.6   39.5 39.6   39.8 39.3   39.5  0.0   40.0 39.2   40.0 39.2   39.8 39.3   40.0 39.2
    35   0.09028   3.33     156 41.0 40.6   41.0 40.6   39.6 42.1   40.8  0.0   43.0 38.1   43.0 38.1   39.6 42.1   43.0 38.1
    36   0.09289   3.28     147 38.1 36.1   38.1 36.1   35.2 39.2   37.2  0.0   37.5 36.9   37.5 36.9   35.2 39.2   37.5 36.9
    37   0.09551   3.24     157 37.9 36.7   37.9 36.7   36.6 38.0   37.3  0.0   36.4 38.1   36.4 38.1   36.6 38.0   36.4 38.1
    38   0.09813   3.19     169 34.8 33.6   34.8 33.6   33.9 34.6   34.2  0.0   35.2 33.3   35.2 33.3   33.9 34.6   35.2 33.3
    39   0.10074   3.15     164 34.6 32.0   34.6 32.0   33.0 33.9   33.4  0.0   35.9 30.6   35.9 30.6   33.0 33.9   35.9 30.6
    40   0.10336   3.11     153 31.3 33.2   31.3 33.2   31.1 33.3   32.2  0.0   33.6 30.5   33.6 30.5   31.1 33.3   33.6 30.5
    41   0.10598   3.07     161 30.0 32.0   30.0 32.0   30.1 31.9   31.0  0.0   32.4 29.9   32.4 29.9   30.1 31.9   32.4 29.9
    42   0.10859   3.03     180 31.0 29.0   31.0 29.0   29.8 30.2   30.0  0.0   30.7 29.3   30.7 29.3   29.8 30.2   30.7 29.3
    43   0.11121   3.00     170 26.9 31.9   26.9 31.9   32.3 26.3   29.2  0.0   31.9 26.6   31.9 26.6   32.3 26.3   31.9 26.6
    44   0.11383   2.96     177 29.6 29.7   29.6 29.7   28.8 30.5   29.6  0.0   29.0 30.3   29.0 30.3   28.8 30.5   29.0 30.3
    45   0.11644   2.93     156 23.1 29.4   23.1 29.4   24.4 27.8   26.1  0.0   24.5 27.9   24.5 27.9   24.4 27.8   24.5 27.9
    46   0.11906   2.90     185 25.2 28.5   25.2 28.5   25.9 27.9   26.8  0.0   27.8 25.8   27.8 25.8   25.9 27.9   27.8 25.8
    47   0.12168   2.87     186 25.9 24.6   25.9 24.6   25.5 25.0   25.3  0.0   26.5 24.0   26.5 24.0   25.5 25.0   26.5 24.0
    48   0.12429   2.84     173 26.2 26.2   26.2 26.2   26.8 25.6   26.2  0.0   24.8 27.6   24.8 27.6   26.8 25.6   24.8 27.6
    49   0.12691   2.81     181 23.3 24.9   23.3 24.9   26.6 21.1   24.0  0.0   24.1 24.0   24.1 24.0   26.6 21.1   24.1 24.0
    50   0.12953   2.78     180 24.2 23.8   24.2 23.8   24.4 23.5   24.0  0.0   22.2 26.2   22.2 26.2   24.4 23.5   22.2 26.2
    51   0.13214   2.75     201 22.5 24.4   22.5 24.4   21.2 25.5   23.5  0.0   25.2 21.8   25.2 21.8   21.2 25.5   25.2 21.8
    52   0.13476   2.72     159 24.2 24.1   24.2 24.1   23.5 24.8   24.2  0.0   24.8 23.6   24.8 23.6   23.5 24.8   24.8 23.6
    53   0.13738   2.70     200 21.9 22.1   21.9 22.1   23.9 20.0   22.0  0.0   23.9 20.3   23.9 20.3   23.9 20.0   23.9 20.3
    54   0.13999   2.67     184 20.7 17.9   20.7 17.9   18.1 20.8   19.4  0.0   19.1 19.7   19.1 19.7   18.1 20.8   19.1 19.7
    55   0.14261   2.65     205 19.0 18.6   19.0 18.6   17.6 20.0   18.8  0.0   18.6 19.0   18.6 19.0   17.6 20.0   18.6 19.0
    56   0.14523   2.62     178 16.8 19.1   16.8 19.1   17.8 18.1   18.0  0.0   17.6 18.3   17.6 18.3   17.8 18.1   17.6 18.3
    57   0.14784   2.60     212 18.8 18.7   18.8 18.7   18.4 19.1   18.7  0.0   20.6 17.0   20.6 17.0   18.4 19.1   20.6 17.0
    58   0.15046   2.58     184 15.7 16.7   15.7 16.7   17.2 15.2   16.2  0.0   15.7 16.6   15.7 16.6   17.2 15.2   15.7 16.6
    59   0.15308   2.56     188 15.1 14.5   15.1 14.5   15.4 14.1   14.8  0.0   15.7 13.9   15.7 13.9   15.4 14.1   15.7 13.9
    60   0.15569   2.53     113 12.4 17.5   12.4 17.5   14.5 14.8   14.7  0.0   16.9 11.8   16.9 11.8   14.5 14.8   16.9 11.8

Totals:                    8145 34.1 35.9   34.1 35.9   34.3 35.6   34.9  0.0   35.1 34.8   35.1 34.8   34.3 35.6   35.1 34.8

<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->

ICE RINGS:

Possible Ice Rings

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

Ice Ring Summary:
 reso mean_I mean_Sigma Estimated_I Zscore Completeness Ave_Completeness
  3.89 531.78     8.99       510.35     2.38   1.00   1.00  
  3.67 479.77     8.47       436.46     5.12   0.99   1.00  
  3.44 347.38     6.43       340.74     1.03   1.00   1.00  
  2.67 62.80      2.37       64.36      -0.66  1.00   1.00  
  2.25 26.22      2.29       23.39      1.24   1.00   1.00  
  2.08 13.12      1.82       12.88      0.14   1.00   1.00  
  1.95 5.29       1.62       5.12       0.11   1.00   1.00  
  1.92 6.20       1.78       4.29       1.07   1.00   1.00  

<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->


WILSON SCALING:
Estimated number of residues = 169

Results Wilson plot:
Computed using Popov & Bourenkov, Acta D (2003) D59, 1145
B = 29.862 intercept =  6.947 siga =  0.555 sigb =  0.064
scale factor on intensity =  1039.9990

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

$TABLE: Wilson plot:
$GRAPHS: Wilson plot - estimated B factor =  29.9 :A:1,2,3:
$$ 1/resol^2 ln(I/I_th) Best $$
$$
   0.00963   -7.02832   -7.02451 
   0.02172   -7.85304   -7.74427 
   0.03117   -7.80474   -7.77189 
   0.03945   -7.59059   -7.44349 
   0.04697   -7.32549   -7.23546 
   0.05404   -7.36077   -7.22780 
   0.06066   -7.42776   -7.32207 
   0.06694   -7.33352   -7.42569 
   0.07297   -7.32403   -7.53143 
   0.07883   -7.46372   -7.64686 
   0.08443   -7.67085   -7.76723 
   0.08987   -7.83464   -7.90749 
   0.09512   -8.03203   -8.05976 
   0.10023   -8.24857   -8.20163 
   0.10531   -8.36699   -8.32951 
   0.11020   -8.46939   -8.44796 
   0.11502   -8.53403   -8.56645 
   0.11987   -8.67050   -8.68452 
   0.12435   -8.80580   -8.78574 
   0.12903   -8.82435   -8.88622 
   0.13340   -8.83268   -8.97009 
   0.13786   -8.92980   -9.04319 
   0.14220   -9.17423   -9.10826 
   0.14645   -9.24029   -9.17018 
   0.15060   -9.30634   -9.23590 
   0.15496   -9.41674   -9.30772 
   0.15893   -9.40811   -9.36297 
   0.16301   -9.45945   -9.41113 
   0.16711   -9.45347   -9.46527 
   0.17107   -9.51263   -9.51125 
   0.17502   -9.56685   -9.55453 
   0.17889   -9.70598   -9.59582 
   0.18268   -9.90585   -9.63662 
   0.18659   -9.69598   -9.67981 
   0.19033   -9.65944   -9.71825 
   0.19412   -9.78306   -9.75748 
   0.19777   -9.75173   -9.79654 
   0.20141   -9.92748   -9.84691 
   0.20522   -9.85402   -9.89361 
   0.20869   -9.91293   -9.94355 
   0.21220   -9.97146   -9.99387 
   0.21589   -9.99216  -10.05162 
   0.21937  -10.14698  -10.10074 
   0.22286  -10.11341  -10.14155 
   0.22637  -10.26804  -10.18546 
   0.22971  -10.29488  -10.23818 
   0.23321  -10.34191  -10.30803 
   0.23669  -10.40087  -10.37421 
   0.23990  -10.53297  -10.43001 
   0.24326  -10.65376  -10.48742 
   0.24660  -10.68706  -10.54973 
   0.25007  -10.65977  -10.61801 
   0.25326  -10.84525  -10.68247 
   0.25641  -10.97480  -10.74777 
   0.25961  -11.04789  -10.81423 
   0.26293  -11.07129  -10.88219 
   0.26620  -11.12997  -10.95525 
   0.26930  -10.97421  -11.02517 
   0.27248  -10.99179  -11.09438 
   0.27553  -11.70614  -11.15766 
$$

epsilon 8.000000 != weight 4.000000
<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->

INTENSITY TO AMPLITUDE CONVERSION:

Calculation using Wilson prior
0 intensities have been rejected as unphysical
<!--SUMMARY_END--></FONT></B>

$TABLE: Cumulative intensity distribution:
$GRAPHS: Cumulative intensity distribution (Acentric and centric):N:1,2,3,4,5,6:
$$ Z Acent_theor Acent_twin Acent_obser Cent_theor Cent_obser $$
$$
   0.00000  0.00000  0.00000  0.04392  0.00000  0.08913
   0.04000  0.03921  0.00303  0.07135  0.15852  0.17320
   0.08000  0.07688  0.01151  0.10308  0.22270  0.22834
   0.12000  0.11308  0.02458  0.13680  0.27097  0.27469
   0.16000  0.14786  0.04148  0.16987  0.31084  0.31001
   0.20000  0.18127  0.06155  0.20360  0.34528  0.34143
   0.24000  0.21337  0.08420  0.23282  0.37579  0.37965
   0.28000  0.24422  0.10891  0.26370  0.40330  0.40734
   0.32000  0.27385  0.13524  0.29437  0.42839  0.42731
   0.36000  0.30232  0.16279  0.32373  0.45149  0.44709
   0.40000  0.32968  0.19121  0.35066  0.47291  0.47370
   0.44000  0.35596  0.22021  0.37919  0.49288  0.49838
   0.48000  0.38122  0.24953  0.40593  0.51158  0.51631
   0.52000  0.40548  0.27895  0.43243  0.52916  0.53742
   0.56000  0.42879  0.30829  0.45755  0.54574  0.54851
   0.60000  0.45119  0.33737  0.48152  0.56142  0.56655
   0.64000  0.47271  0.36607  0.50483  0.57629  0.57827
   0.68000  0.49338  0.39428  0.52529  0.59041  0.59174
   0.72000  0.51325  0.42190  0.54553  0.60386  0.60340
   0.76000  0.53233  0.44885  0.56412  0.61667  0.61651
   0.80000  0.55067  0.47507  0.58166  0.62891  0.62587
   0.84000  0.56829  0.50052  0.59961  0.64060  0.63850
   0.88000  0.58522  0.52516  0.61735  0.65180  0.65072
   0.92000  0.60148  0.54896  0.63379  0.66253  0.66282
   0.96000  0.61711  0.57191  0.64951  0.67281  0.67549
   1.00000  0.63212  0.59399  0.66355  0.68269  0.68589
   1.04000  0.64655  0.61521  0.67875  0.69218  0.69485
   1.08000  0.66040  0.63557  0.69172  0.70130  0.70307
   1.12000  0.67372  0.65507  0.70496  0.71008  0.71234
   1.16000  0.68651  0.67373  0.71778  0.71853  0.72274
   1.20000  0.69881  0.69156  0.72952  0.72668  0.73060
   1.24000  0.71062  0.70857  0.74195  0.73453  0.74037
   1.28000  0.72196  0.72480  0.75347  0.74210  0.74698
   1.32000  0.73286  0.74025  0.76378  0.74941  0.75135
   1.36000  0.74334  0.75495  0.77389  0.75646  0.75810
   1.40000  0.75340  0.76892  0.78330  0.76328  0.76108
   1.44000  0.76307  0.78220  0.79429  0.76986  0.77107
   1.48000  0.77236  0.79480  0.80308  0.77623  0.77867
   1.52000  0.78129  0.80675  0.81203  0.78238  0.78227
   1.56000  0.78986  0.81807  0.81849  0.78833  0.78451
   1.60000  0.79810  0.82880  0.82545  0.79410  0.78931
   1.64000  0.80602  0.83895  0.83452  0.79967  0.79759
   1.68000  0.81363  0.84855  0.84098  0.80508  0.80205
   1.72000  0.82093  0.85763  0.84850  0.81031  0.80690
   1.76000  0.82796  0.86621  0.85608  0.81538  0.80945
   1.80000  0.83470  0.87431  0.86211  0.82029  0.81256
   1.84000  0.84118  0.88196  0.86890  0.82505  0.81796
   1.88000  0.84741  0.88917  0.87453  0.82967  0.81986
   1.92000  0.85339  0.89597  0.87918  0.83414  0.82250
   1.96000  0.85914  0.90238  0.88428  0.83849  0.82635
   2.00000  0.86466  0.90842  0.88984  0.84270  0.83049
$$

Estimated limits of anomalous signal
      Wang limit (deltaI/I) > 0.6% : 1.9 A 
      anomalous limit (deltaI/sig) > 1.3 : -nan A 
      measurability limit (Nanon/Nov) > 5% : -nan A 
  These calculations are performed using scaled and merged data.  More accurate estimates of the limit of the anomalous signal can be obtained using scaled and unmerged data in the half dataset correlation calculation of aimless. 

$TABLE: Intensity anomalous analysis:
$GRAPHS: Mn(dI) v resolution:N:1,2:
: Mn(dI/sigdI) v resolution:N:1,3:
: Mn(dI/I) v resolution:N:1,4:
: Mesurability v resolution:N:1,5:
$$ 1/resol^2 Mn(dI) Mn(dI/sigdI)) Mn(dI/I) measurability$$
$$
  0.002309   1.5911e+01   2.7406e-01   1.2465e-02   1.7647e-02
  0.006927   1.6611e+01   4.9185e-01   1.9097e-02   1.4815e-02
  0.011544   1.2122e+01   4.3484e-01   1.6724e-02   6.4935e-03
  0.016162   8.0492e+00   4.6964e-01   1.4653e-02   5.9880e-03
  0.020780   5.9519e+00   4.9460e-01   1.8524e-02   1.0989e-02
  0.025397   5.2858e+00   5.4647e-01   1.2420e-02   5.1546e-03
  0.030015   8.7368e+00   6.1606e-01   2.2228e-02   5.1020e-03
  0.034633   7.3033e+00   5.6061e-01   2.0075e-02   4.4248e-03
  0.039250   1.5128e+01   9.1729e-01   2.7348e-02   8.9686e-03
  0.043868   1.8131e+01   1.1743e+00   3.1761e-02   8.6580e-03
  0.048486   2.7490e+01   1.1110e+00   4.3599e-02   4.0161e-03
  0.053103   1.1417e+01   7.7932e-01   2.0471e-02   0.0000e+00
  0.057721   1.1543e+01   6.2169e-01   2.1306e-02   3.7879e-03
  0.062339   1.0747e+01   7.1023e-01   2.1994e-02   3.7594e-03
  0.066956   1.5349e+01   1.0314e+00   2.7254e-02   7.2993e-03
  0.071574   1.2466e+01   6.8541e-01   2.3639e-02   1.8248e-02
  0.076192   9.8078e+00   7.4999e-01   2.1238e-02   6.7114e-03
  0.080809   8.6172e+00   6.1373e-01   2.5902e-02   3.4130e-03
  0.085427   8.0247e+00   6.4279e-01   2.5909e-02   1.3115e-02
  0.090045   7.7833e+00   7.4917e-01   3.0303e-02   9.7403e-03
  0.094662   5.2882e+00   6.2151e-01   2.4645e-02   3.1847e-03
  0.099280   6.2061e+00   7.6669e-01   3.6384e-02   3.0581e-03
  0.103898   4.5185e+00   6.0252e-01   2.9572e-02   3.3113e-03
  0.108515   4.8352e+00   7.0579e-01   3.4735e-02   2.9412e-03
  0.113133   4.2185e+00   6.6087e-01   3.3330e-02   2.8818e-03
  0.117751   5.3080e+00   8.9643e-01   4.8501e-02   0.0000e+00
  0.122368   3.5915e+00   6.3854e-01   3.8280e-02   0.0000e+00
  0.126986   3.4560e+00   6.4096e-01   3.7756e-02   2.9070e-03
  0.131604   3.8139e+00   7.2594e-01   4.5349e-02   0.0000e+00
  0.136221   3.2759e+00   6.4857e-01   4.5307e-02   2.7473e-03
  0.140839   3.3360e+00   7.2936e-01   6.1582e-02   2.6525e-03
  0.145457   3.0656e+00   6.6791e-01   5.7427e-02   2.5840e-03
  0.150074   2.7326e+00   6.0865e-01   6.2269e-02   0.0000e+00
  0.154692   3.5070e+00   7.6066e-01   8.2668e-02   0.0000e+00
  0.159310   3.6462e+00   7.3018e-01   8.0231e-02   5.3050e-03
  0.163928   3.8595e+00   8.2993e-01   1.0226e-01   2.4814e-03
  0.168545   3.1992e+00   7.3701e-01   8.9296e-02   2.4938e-03
  0.173163   3.7514e+00   8.7871e-01   1.0808e-01   5.0125e-03
  0.177781   2.9917e+00   7.1496e-01   1.1749e-01   2.3641e-03
  0.182398   2.6862e+00   6.6882e-01   1.1340e-01   0.0000e+00
  0.187016   2.8652e+00   6.4454e-01   1.0305e-01   0.0000e+00
  0.191634   3.1663e+00   7.0640e-01   1.1812e-01   4.8077e-03
  0.196251   3.9977e+00   8.5957e-01   1.6083e-01   2.3697e-03
  0.200869   2.7450e+00   6.5467e-01   1.1768e-01   0.0000e+00
  0.205487   2.7010e+00   6.6338e-01   1.1761e-01   4.2827e-03
  0.210104   2.9410e+00   7.3804e-01   1.5047e-01   0.0000e+00
  0.214722   2.7380e+00   6.9233e-01   1.4525e-01   2.2321e-03
  0.219340   2.7958e+00   7.0452e-01   1.6154e-01   0.0000e+00
  0.223957   2.8944e+00   7.4766e-01   1.9882e-01   0.0000e+00
  0.228575   2.5205e+00   6.6901e-01   1.9258e-01   0.0000e+00
  0.233193   2.8113e+00   7.6713e-01   1.8251e-01   0.0000e+00
  0.237810   2.4695e+00   6.9131e-01   2.4647e-01   0.0000e+00
  0.242428   2.4113e+00   6.9009e-01   2.7611e-01   2.0921e-03
  0.247046   2.5130e+00   7.2394e-01   3.0560e-01   0.0000e+00
  0.251663   2.3361e+00   6.7907e-01   3.5311e-01   0.0000e+00
  0.256281   2.4948e+00   7.4016e-01   4.3023e-01   0.0000e+00
  0.260899   2.4909e+00   7.4242e-01   4.2365e-01   0.0000e+00
  0.265516   2.3660e+00   6.5994e-01   4.7775e-01   0.0000e+00
  0.270134   2.5008e+00   6.8706e-01   4.2367e-01   1.9881e-03
  0.274752   2.4275e+00   7.3699e-01   1.0374e+00   0.0000e+00
$$

<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->
Estimated Optical Resolution: 1.7
<!--SUMMARY_END--></FONT></B>
$TABLE: Phil plot:
$GRAPHS: Phil plot - normalised values:A:1,2,3,4:
: Phil plot - vs sigma:A:1,5,6,7:
$$ Value Io/Sigma I/Sigma F/Sigma**0.5 Io/sigIo I/sigI F/sigF$$
$$
  -5.00000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.92500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.85000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.77500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.70000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.62500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.55000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.47500    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.40000    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.32500    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.25000    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.17500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.10000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.02500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.95000    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.87500    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.80000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.72500    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.65000    1.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.57500    1.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.50000    1.00000    0.00000    0.00000    0.50000    0.00000    0.00000
  -3.42500    0.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -3.35000    3.00001    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.27500    4.50000    0.00000    0.00000    1.00000    0.00000    0.00000
  -3.20000    2.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -3.12500    1.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -3.05000    2.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.97500    2.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.90000    1.00000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.82500    0.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.75000    1.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.67500    1.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.60000    0.50000    0.00000    0.00000    1.50000    0.00000    0.00000
  -2.52500    1.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.45000    2.50000    0.00000    0.00000    2.50000    0.00000    0.00000
  -2.37500    2.50000    0.00000    0.00000    4.00000    0.00000    0.00000
  -2.30000    2.50000    0.00000    0.00000    2.50000    0.00000    0.00000
  -2.22500    3.00000    0.00000    0.00000    2.00000    0.00000    0.00000
  -2.15000    2.00000    0.00000    0.00000    3.00000    0.00000    0.00000
  -2.07500    2.00000    0.00000    0.00000    4.00000    0.00000    0.00000
  -2.00000    5.50000    0.00000    0.00000    5.00000    0.00000    0.00000
  -1.92500    5.50000    0.00000    0.00000    6.00000    0.00000    0.00000
  -1.85000    2.50000    0.00000    0.00000    9.00000    0.00000    0.00000
  -1.77500    3.50000    0.00000    0.00000   12.50000    0.00000    0.00000
  -1.70000    6.50000    0.00000    0.00000   14.00000    0.00000    0.00000
  -1.62500    7.00000    0.00000    0.00000   14.00000    0.00000    0.00000
  -1.55000    7.50000    0.00000    0.00000   10.00000    0.00000    0.00000
  -1.47500    8.00000    0.00000    0.00000    9.50000    0.00000    0.00000
  -1.40000    6.50000    0.00000    0.00000   13.50000    0.00000    0.00000
  -1.32500    6.00000    0.00000    0.00000   21.99999    0.00000    0.00000
  -1.25000    7.50000    0.00000    0.00000   24.50000    0.00000    0.00000
  -1.17500   10.00000    0.00000    0.00000   22.50000    0.00000    0.00000
  -1.10000    8.50000    0.00000    0.00000   25.50000    0.00000    0.00000
  -1.02500    7.00000    0.00000    0.00000   30.50000    0.00000    0.00000
  -0.95000   10.50000    0.00000    0.00000   40.50000    0.00000    0.00000
  -0.87500   12.50000    0.00000    0.00000   37.00000    0.00000    0.00000
  -0.80000   15.50000    0.00000    0.00000   34.50000    0.00000    0.00000
  -0.72500   21.00000    0.00000    0.00000   40.00000    0.00000    0.00000
  -0.65000   22.00000    0.00000    0.00000   38.50000    0.00000    0.00000
  -0.57500   26.50000    0.00000    0.00000   42.00000    0.00000    0.00000
  -0.50000   27.50000    0.00000    0.00000   47.00000    0.00000    0.00000
  -0.42500   32.00000    0.00000    0.00000   49.50000    0.00000    0.00000
  -0.35000   45.50000    0.00000    0.00000   51.50000    0.00000    0.00000
  -0.27500   67.00000    0.00000    0.00000   58.50000    0.00000    0.00000
  -0.20000   99.50000    0.00000    0.00000   60.50000    0.00000    0.00000
  -0.12500  133.50000    0.00000    0.00000   65.00000    0.00000    0.00000
  -0.05000  263.00000   72.00000    0.00000   75.00000    0.00000    0.00000
   0.02500  485.50000  387.00000   27.50000   69.50000    0.00000    0.00000
   0.10000  604.50000  693.50000  111.00000   75.00000    0.00000    0.00000
   0.17500  612.50000  728.00000  221.50000   79.00000    0.00000    0.00000
   0.25000  595.50000  711.50000  365.00000   72.00000    0.00000    0.00000
   0.32500  582.50000  717.00000  514.49998   78.50000    0.00000    0.00000
   0.40000  559.50000  655.49999  631.50001   81.00000    0.00000    0.00000
   0.47500  543.00000  622.50000  717.50000   87.00000    0.00000    0.00000
   0.55000  525.99999  603.99999  793.50001   93.50000    0.00000    0.00000
   0.62500  507.00000  576.50000  833.00000   85.50000    0.00000    0.00000
   0.70000  497.00001  567.50001  856.99999   88.00000    6.00000    0.00000
   0.77500  482.50000  529.00001  886.00000   91.00000   49.99998    0.00000
   0.85000  481.50000  508.00000  922.50002   90.00000   87.00000    0.00000
   0.92500  455.99999  510.00000  950.00000   88.00000   78.50000    0.00000
   1.00000  440.50000  483.00000  928.00000   93.00000   67.50000    0.00000
   1.07500  430.49998  451.00000  881.49995   95.49999  155.50012    0.00000
   1.15000  423.00000  441.50001  826.50001   89.00000  303.99996    0.00000
   1.22500  394.99998  394.99998  777.99998   90.00000  360.50000    0.00000
   1.30000  352.50001  359.00000  750.00000   93.99999  351.00001    2.50000
   1.37500  333.00000  347.50000  724.50000   92.00000  311.50000   39.00000
   1.45000  319.50000  336.00000  685.49998   90.50001  263.99998   75.00000
   1.52500  306.50001  322.00001  629.00003   95.50000  234.50001   68.50001
   1.60000  301.50000  311.00000  561.49999   94.50000  215.00000   55.50000
   1.67500  304.50000  306.50001  513.50003   92.50000  186.00003   38.00002
   1.75000  299.50000  290.50000  478.50000   90.50000  167.50000   26.00000
   1.82500  277.49997  274.49999  434.99996   89.50000  160.99999   22.99999
   1.90000  260.50000  268.00000  374.50002   90.50000  139.00001   19.00000
   1.97500  254.49999  256.99999  329.49999   92.00000  119.50000   67.50003
   2.05000  238.50001  238.00001  301.00001   91.00000  115.00000  175.49992
   2.12500  224.50000  225.00000  261.00000   89.00000  120.00000  240.50000
   2.20000  216.50000  227.00001  221.99999   80.99999  114.99999  243.50000
   2.27500  224.00002  233.50000  200.49997   69.49999   99.49998  242.50000
   2.35000  214.00005  209.50006  182.50002   72.99998   89.00001  224.00005
   2.42500  199.50000  197.99999  149.50003   79.50000   93.49999  189.00002
   2.50000  199.00000  191.50000  110.50000   83.50000   94.00000  170.00000
   2.57500  181.49998  167.99999   95.50000   83.49999   85.50000  159.99999
   2.65000  171.00001  164.50001   86.99998   78.00000   88.00001  143.99997
   2.72500  165.00002  167.00000   70.50003   77.00000   80.00003  132.00001
   2.80000  173.49998  166.00000   63.00000   77.00000   68.50000  131.00000
   2.87500  175.00000  156.50000   60.00000   77.50000   74.50000  114.50000
   2.95000  152.49999  141.99999   43.49999   76.00000   83.00001   96.00000
   3.02500  125.99995  121.49996   29.99999   71.49999   80.49998   90.99999
   3.10000  112.99998  122.49996   25.00001   74.99998   78.49999   89.49999
   3.17500  131.49999  142.49999   24.00000   85.00000   74.50001   87.50001
   3.25000  137.00000  135.00000   20.00000   80.00000   70.00000   84.50000
   3.32500  133.00000  124.50000   15.50000   75.50000   65.99999   78.49999
   3.40000  119.99996  115.49997   14.50000   66.99997   62.50001   71.00000
   3.47500  114.49998  106.50000    8.50001   60.49999   70.99999   61.00003
   3.55000  111.50002  108.50000    7.50000   63.50000   67.50001   58.99999
   3.62500  109.00000  102.50000    8.00000   66.00000   65.50000   64.00000
   3.70000  102.49998   85.99999    7.00000   78.50001   65.99999   60.50000
   3.77500   79.49998   78.00001    6.99999   72.99997   57.49999   61.50000
   3.85000   86.49997   90.49997    4.50000   59.00000   57.49999   58.00001
   3.92500   95.00001   89.00002    3.50000   61.00000   58.50000   56.99999
   4.00000   80.50000   76.00000    3.00000   68.50000   57.50000   56.50000
   4.07500   80.49995   75.00000    3.99999   64.00005   62.49998   47.50002
   4.15000   84.99999   77.50001    2.99999   61.00002   62.99999   44.00000
   4.22500   77.50001   78.50000    1.50000   58.50002   59.50000   44.00000
   4.30000   72.99999   73.99998    2.00000   60.00005   60.50001   43.50000
   4.37500   69.50000   66.00000    1.00000   68.50000   56.00000   47.50000
   4.45000   63.50002   60.00001    0.99999   62.50002   53.99998   46.50002
   4.52500   52.99998   52.99998    1.50000   54.49999   50.49998   44.00001
   4.60000   55.99998   55.49998    0.50000   50.50000   53.49997   43.00001
   4.67500   61.49998   59.49998    1.00001   52.50001   55.99996   39.50000
   4.75000   54.50000   55.00000    1.50000   53.50000   52.50000   41.00000
   4.82500   49.00001   53.50001    0.50000   52.00000   55.00001   45.99998
   4.90000   48.00000   54.00001    0.00000   50.50000   51.50000   43.49999
   4.97500   52.99999   52.50001    1.00000   53.49999   47.50001   36.00001
   5.05000   53.99998   42.49997    0.99999   55.49999   49.50002   30.99998
   5.12500   44.50000   37.50000    0.00000   50.50000   50.00000   31.50000
   5.20000   40.49999   43.99997    0.00000   53.49997   50.99997   35.99999
   5.27500   45.50001   42.99998    0.00000   47.49997   52.99999   32.99999
   5.35000   48.50000   40.99999    0.50000   48.49997   55.49999   35.49998
   5.42500   48.50000   42.99999    1.00000   61.00000   61.50000   43.00001
   5.50000   41.00000   37.00000    0.50000   58.00000   54.50000   39.50000
   5.57500   34.99999   38.99997    0.00000   53.50001   37.50005   34.50000
   5.65000   40.00001   42.49999    0.50000   44.49998   35.00002   37.00001
   5.72500   38.00002   32.00002    1.00000   38.99999   44.99999   39.50000
   5.80000   30.49999   30.00003    0.50000   44.00002   49.50001   37.49999
   5.87500   30.50000   28.50000    0.00000   53.50000   52.50000   35.00000
   5.95000   25.00004   24.99998    0.00000   54.50003   53.50000   33.00001
   6.02500   21.00001   26.99999    0.00000   46.49999   47.49999   31.00000
   6.10000   29.49999   25.50000    0.00000   49.99998   43.99999   34.49999
   6.17500   28.49997   25.50000    0.00000   48.99996   40.99997   35.99998
   6.25000   21.50000   23.50000    0.00000   44.50000   36.00000   31.50000
   6.32500   20.00001   23.49999    0.00000   43.50002   37.99999   27.00002
   6.40000   24.50001   22.99999    0.00000   43.00001   42.50001   28.00001
   6.47500   24.50001   18.50001    0.00000   41.00001   46.00000   32.00000
   6.55000   20.50001   16.00000    0.00000   43.00004   46.50000   33.50001
   6.62500   19.00000   16.50000    0.00000   43.00000   43.00000   36.00000
   6.70000   17.99999   18.49999    0.00000   34.50001   44.49998   32.50002
   6.77500   20.00000   19.50000    0.00000   44.50003   51.50001   27.00000
   6.85000   17.50001   19.50000    0.00000   56.00000   46.50002   31.99998
   6.92500   18.50002   17.99999    0.00000   47.99996   35.99998   36.49999
   7.00000   20.50000   16.50000    0.00000   40.00000   38.00000   27.50000
   7.07500   18.50000   17.99999    0.50000   41.99999   44.49999   27.49996
   7.15000   19.50000   17.50000    0.50000   43.50000   46.50000   31.99999
   7.22500   18.00001   13.50001    0.00000   39.50001   44.50001   25.50001
   7.30000   12.49999   11.00000    0.00000   49.50007   47.50003   24.50001
   7.37500   10.50000   11.50000    0.00000   51.00000   44.00000   30.00000
   7.45000   11.50000   12.99999    0.00000   40.49999   35.50000   28.50002
   7.52500   13.00000   10.99999    0.00000   42.50000   36.00000   28.00001
   7.60000   11.00001    7.50000    0.00000   37.50001   36.50000   26.50001
   7.67500   11.50002   10.00002    0.00000   34.00001   33.99998   23.50001
   7.75000   11.50000   12.00000    0.00000   35.50000   30.00000   29.00000
   7.82500   13.99997   13.49999    0.00000   34.50000   32.99998   32.00000
   7.90000   15.49999   17.50000    0.00000   35.00000   40.00001   31.00000
   7.97500   13.49999   15.00001    0.00000   37.99999   44.50000   28.50000
   8.05000   11.99998    9.49999    0.00000   40.50000   39.99997   25.49999
   8.12500    9.00000    8.00000    0.00000   39.50000   30.50000   27.00000
   8.20000   11.99999    9.49999    0.00000   35.00002   35.99995   30.99999
   8.27500   12.00002   10.50001    0.00000   36.49995   39.50006   29.50003
   8.35000    8.49998    7.99998    0.00000   36.99996   35.50002   28.50002
   8.42500    9.00001   10.00002    0.00000   37.50002   35.49999   30.00000
   8.50000   11.00000   13.50000    0.00000   35.50000   35.50000   27.50000
   8.57500   10.00001   10.00002    0.00000   28.50000   34.50001   23.00001
   8.65000    7.50002    5.00002    0.00000   28.99999   36.99995   21.99999
   8.72500    4.49998    4.00001    0.00000   40.00010   38.99997   28.50006
   8.80000    6.50002    6.50001    0.00000   44.49997   35.50000   26.99996
   8.87500    9.50000    8.50000    0.00000   39.00000   33.00000   23.00000
   8.95000    6.00002    7.00001    0.00000   33.50003   35.49998   26.50000
   9.02500    5.49997    5.00000    0.00000   29.99998   38.00002   28.99998
   9.10000    6.99999    4.49999    0.00000   37.50006   39.00003   27.99997
   9.17500    6.00000    5.00001    0.00000   40.99999   39.49999   25.50000
   9.25000    5.00000    4.50000    0.00000   40.50000   39.50000   23.00000
   9.32500    4.99999    3.99999    0.00000   40.00001   36.50003   23.99998
   9.40000    4.50002    4.50001    0.00000   37.50001   29.50002   25.50003
   9.47500    2.49999    4.00000    0.00000   34.99998   30.50003   25.00002
   9.55000    5.00002    2.99999    0.00000   33.00000   36.50002   24.99999
   9.62500    5.50000    2.50000    0.00000   31.50000   37.00000   24.00000
   9.70000    3.50000    4.49999    0.00000   32.49999   36.49999   25.00000
   9.77500    4.99999    6.00000    0.00000   34.50001   33.50006   22.50003
   9.85000    4.99999    4.99999    0.00000   35.50002   32.00004   20.50001
   9.92500    4.00000    2.99999    0.00000   38.00001   34.99999   25.50002
$$


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