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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: 11:08:15 


 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-x839/BAZ2BA-x839_2_/xia2-3daii-run/1400148120/xBAZ2BAx8392/scale/nt5073v16_xBAZ2BAx8392_scaled.mtz
hklout 	/dls/i04-1/data/2014/nt5073-16/tmp/BAZ2BA/BAZ2BA-x839/BAZ2BA-x839_2_/xia2-3daii-run/1400148120/xBAZ2BAx8392/scale/SAD_truncated.mtz
colano 	/*/*/[I(+),SIGI(+),I(-),SIGI(-)]
colin 	/*/*/[IMEAN,SIGIMEAN]
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<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->

CRYSTAL INFO:

Crystal/dataset names: /xBAZ2BAx8392/SAD
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Ncentric = 1686
Number of centric bins = 60
<B><FONT COLOR='#FF0000'><!--SUMMARY_BEGIN-->
Cell parameters:    83.5000    96.7400    57.9700    90.0000    90.0000    90.0000

Number of reflections: 15223

Minimum resolution =  37.139 A
Maximum resolution =   2.040 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:
$$ 1/resol^2 completeness sig1 sig2 sig3 standard$$
$$
  0.002003   0.7553   0.7553   0.7553   0.7553   0.0458
  0.006008   1.0000   1.0000   1.0000   0.9905   0.0413
  0.010013   1.0000   1.0000   0.9840   0.9680   0.0530
  0.014019   1.0000   0.9851   0.9851   0.9701   0.2602
  0.018024   1.0000   0.9856   0.9640   0.9640   0.0719
  0.022030   1.0000   0.9740   0.9610   0.9351   0.0803
  0.026035   1.0000   0.9821   0.9702   0.9643   0.1069
  0.030040   1.0000   0.9888   0.9888   0.9663   0.0710
  0.034046   1.0000   0.9781   0.9781   0.9617   0.2696
  0.038051   1.0000   0.9948   0.9845   0.9741   0.0718
  0.042057   0.8646   0.8385   0.8177   0.8177   0.0854
  0.046062   0.8894   0.8794   0.8693   0.8543   0.0790
  0.050067   1.0000   1.0000   1.0000   1.0000   0.0423
  0.054073   1.0000   0.9706   0.9608   0.9461   0.1706
  0.058078   0.9914   0.9828   0.9784   0.9698   0.0655
  0.062083   0.9956   0.9956   0.9778   0.9733   0.0577
  0.066089   0.9958   0.9790   0.9622   0.9496   0.2943
  0.070094   1.0000   0.9873   0.9703   0.9661   0.3319
  0.074100   0.9958   0.9874   0.9540   0.9456   0.0797
  0.078105   0.9925   0.9888   0.9776   0.9776   0.0629
  0.082110   0.9959   0.9959   0.9877   0.9794   0.0644
  0.086116   0.9962   0.9962   0.9660   0.9547   0.0843
  0.090121   1.0000   0.9888   0.9738   0.9551   0.0899
  0.094126   1.0000   0.9488   0.9370   0.9331   0.1474
  0.098132   1.0000   0.9662   0.9459   0.9392   0.1007
  0.102137   1.0000   0.9824   0.9542   0.9296   0.1158
  0.106143   1.0000   0.9515   0.9328   0.9104   0.4130
  0.110148   1.0000   0.9695   0.9390   0.9017   0.1536
  0.114153   0.9967   0.9700   0.9100   0.8800   0.1578
  0.118159   1.0000   0.9524   0.9184   0.8673   0.1691
  0.122164   1.0000   0.9684   0.9304   0.8956   0.1742
  0.126170   1.0000   0.9619   0.9481   0.9135   0.2391
  0.130175   0.9873   0.9556   0.9238   0.8794   0.1910
  0.134180   1.0000   0.9652   0.9177   0.8829   0.1746
  0.138186   1.0000   0.9596   0.9379   0.8820   0.2130
  0.142191   0.9938   0.9346   0.8910   0.8349   0.3959
  0.146196   1.0000   0.9021   0.8379   0.7829   0.3100
  0.150202   0.9939   0.9049   0.8344   0.7669   0.3490
  0.154207   0.9879   0.8852   0.8369   0.7462   0.5335
  0.158213   0.9859   0.8814   0.7994   0.7203   0.3717
  0.162218   0.9434   0.8239   0.7579   0.6824   0.4723
  0.166223   0.9689   0.8672   0.7853   0.7260   0.3813
  0.170229   1.0000   0.8632   0.7721   0.6638   0.6006
  0.174234   1.0000   0.8895   0.7904   0.6997   0.3799
  0.178240   0.9945   0.8310   0.7064   0.5845   0.5270
  0.182245   1.0000   0.8453   0.6934   0.6160   0.5082
  0.186250   0.9946   0.8474   0.7466   0.6376   0.5162
  0.190256   0.9946   0.8311   0.6948   0.5749   0.6519
  0.194261   1.0000   0.7995   0.6728   0.5805   0.6919
  0.198266   0.9863   0.7830   0.6648   0.5165   0.7551
  0.202272   1.0000   0.8361   0.6667   0.5528   0.5006
  0.206277   0.9950   0.7789   0.6156   0.4824   0.8286
  0.210283   0.9923   0.8005   0.6240   0.4655   0.7751
  0.214288   1.0000   0.8043   0.6327   0.4906   0.7374
  0.218293   0.9838   0.7946   0.5892   0.4162   0.9104
  0.222299   0.9856   0.7273   0.5574   0.4211   0.9415
  0.226304   0.9896   0.7311   0.5614   0.3838   0.8904
  0.230309   0.9848   0.6944   0.4571   0.3081   1.0576
  0.234315   1.0000   0.6955   0.4975   0.3218   0.9751
  0.238320   0.9855   0.7022   0.5036   0.3075   0.7866
$$

<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  15.801A to   2.671A
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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:   0.5157   0.9370   0.5122
Eigenvalue ratios:   0.5504   1.0000   0.5466
Resolution limit in weakest direction =   3.020 A
<!--SUMMARY_END--></FONT></B>


Anisotropic U (orthogonal coords):

|   0.9370   0.0000   0.0000 |
|   0.0000   0.5122   0.0000 |
|   0.0000   0.0000   0.5157 |

Anisotropic U scaling (fractional coords):

|   1.344e-04   9.034e-21   4.989e-20 |
|   9.034e-21   5.473e-05   6.237e-20 |
|   4.989e-20   6.237e-20   1.535e-04 |

Anisotropic B scaling (fractional coords):

|   1.061e-02   7.133e-19   3.939e-18 |
|   7.133e-19   4.321e-03   4.924e-18 |
|   3.939e-18   4.924e-18   1.212e-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:
$$ 1/resol^2 Mn(I(d1)) Mn(I(d2)) Mn(I(d3)) Mn(I(ov) Mn(I/sd(d1)) Mn(I/sd(d2)) Mn(I/sd(d3)) Mn(I/sd(ov)) N(d1) N(d2) N(d3) N(ov)$$
$$
  0.002003   1.2149e+02   2.7122e+02   1.8225e+02   1.7640e+02   4.0706e+01   4.6616e+01   3.3759e+01   4.3251e+01       40       56       48      336
  0.006008   2.3542e+02   1.7490e+02   1.4865e+02   1.8604e+02   4.3043e+01   4.4552e+01   4.0117e+01   4.7965e+01       80       88      104      560
  0.010013   1.9321e+02   1.7461e+02   1.3851e+02   1.6246e+02   4.8250e+01   4.5599e+01   4.5545e+01   4.7732e+01      104      104      112      720
  0.014019   1.6585e+02   6.0763e+01   1.1085e+02   1.0312e+02   4.7273e+01   3.3501e+01   4.2008e+01   4.2043e+01      104      136      128      808
  0.018024   1.1566e+02   6.0425e+01   6.0578e+01   8.1890e+01   3.5648e+01   3.6825e+01   3.3575e+01   3.8413e+01      128      128      128      880
  0.022030   5.5435e+01   2.4267e+01   3.2419e+01   5.4048e+01   3.1799e+01   2.5147e+01   2.6454e+01   3.4112e+01      120      160      144      992
  0.026035   5.0214e+01   1.9031e+01   4.6723e+01   5.6771e+01   2.6725e+01   2.0118e+01   2.9912e+01   3.2087e+01      152      152      168     1096
  0.030040   8.9929e+01   4.4107e+01   5.7695e+01   6.2741e+01   3.6356e+01   3.0229e+01   3.4131e+01   3.3880e+01      192      168      136     1136
  0.034046   6.6296e+01   4.2153e+01   5.5033e+01   5.9228e+01   3.3041e+01   3.3412e+01   3.2988e+01   3.3953e+01      120      176      200     1216
  0.038051   7.8289e+01   4.0595e+01   5.3231e+01   6.9536e+01   3.3859e+01   3.3617e+01   2.9714e+01   3.5179e+01      232      184      176     1288
  0.042057   6.4683e+01   3.8080e+01   1.0261e+02   8.3773e+01   2.1629e+01   3.1641e+01   3.1122e+01   3.2612e+01      112      184      112     1184
  0.046062   6.0240e+01   5.8857e+01   1.4229e+02   8.3938e+01   2.3142e+01   3.4051e+01   2.5465e+01   3.0104e+01      176      216      168     1208
  0.050067   1.1619e+02   7.6147e+01   1.2925e+02   9.8837e+01   3.4028e+01   3.7279e+01   3.2825e+01   3.4633e+01      176      192      224     1520
  0.054073   1.0005e+02   5.1770e+01   1.0891e+02   8.4575e+01   3.0408e+01   3.1161e+01   3.3869e+01   3.1630e+01      224      224      208     1448
  0.058078   8.2651e+01   5.3960e+01   1.0224e+02   8.7684e+01   2.9757e+01   2.6767e+01   3.3550e+01   3.3047e+01      192      216      208     1544
  0.062083   6.8973e+01   7.8564e+01   7.5406e+01   7.5678e+01   2.8941e+01   3.3570e+01   2.8750e+01   3.1264e+01      208      216      224     1544
  0.066089   1.1222e+02   6.4903e+01   1.2277e+02   9.1268e+01   3.5585e+01   2.9972e+01   3.9926e+01   3.2577e+01      248      240      232     1672
  0.070094   1.0339e+02   7.4008e+01   1.1117e+02   9.3282e+01   3.5930e+01   3.5586e+01   3.6607e+01   3.4280e+01      200      248      240     1640
  0.074100   9.6966e+01   7.5023e+01   8.9748e+01   7.6725e+01   3.2819e+01   3.5307e+01   3.0919e+01   3.0679e+01      224      232      264     1688
  0.078105   1.0183e+02   4.8150e+01   7.4193e+01   7.1077e+01   3.2261e+01   2.9277e+01   3.1776e+01   2.9792e+01      264      240      240     1840
  0.082110   8.7622e+01   3.9019e+01   7.5985e+01   6.1532e+01   3.3297e+01   2.4266e+01   3.0231e+01   2.7421e+01      200      288      240     1704
  0.086116   7.6573e+01   3.8955e+01   7.6638e+01   5.4858e+01   2.8568e+01   2.6903e+01   3.1614e+01   2.6768e+01      272      248      280     1864
  0.090121   6.0735e+01   2.2980e+01   8.7325e+01   4.8972e+01   2.8543e+01   2.0100e+01   3.4304e+01   2.5819e+01      248      280      256     1904
  0.094126   3.7497e+01   2.8814e+01   5.8417e+01   3.8159e+01   2.4147e+01   2.2566e+01   2.8618e+01   2.3699e+01      224      256      272     1864
  0.098132   5.5543e+01   1.6005e+01   4.0915e+01   3.5161e+01   2.7836e+01   1.4950e+01   2.2977e+01   2.1591e+01      304      296      272     2016
  0.102137   2.5159e+01   1.8526e+01   3.6290e+01   2.9485e+01   1.8978e+01   1.7484e+01   2.3270e+01   2.0589e+01      304      280      288     2040
  0.106143   3.7026e+01   1.4642e+01   3.1746e+01   2.6005e+01   2.2740e+01   1.5957e+01   2.1187e+01   1.8993e+01      248      280      288     1928
  0.110148   2.9866e+01   7.2524e+00   2.8105e+01   2.3655e+01   2.1343e+01   1.0284e+01   2.0144e+01   1.8040e+01      336      256      296     2112
  0.114153   2.8933e+01   9.4886e+00   2.6771e+01   2.3285e+01   1.9548e+01   1.2145e+01   1.9217e+01   1.7559e+01      240      320      272     2152
  0.118159   3.1323e+01   1.1049e+01   1.8876e+01   1.8806e+01   2.0173e+01   1.3319e+01   1.5266e+01   1.5687e+01      288      312      296     2072
  0.122164   2.3957e+01   1.0471e+01   1.8239e+01   1.7645e+01   1.8516e+01   1.3266e+01   1.5433e+01   1.5264e+01      336      296      272     2280
  0.126170   2.1461e+01   8.1670e+00   2.0706e+01   1.5151e+01   1.6604e+01   1.0946e+01   1.5641e+01   1.3962e+01      328      304      344     2136
  0.130175   1.7096e+01   9.3266e+00   2.3822e+01   1.5505e+01   1.3794e+01   1.2252e+01   1.8338e+01   1.4024e+01      256      320      288     2232
  0.134180   1.6270e+01   9.4630e+00   2.0625e+01   1.4690e+01   1.4982e+01   1.1699e+01   1.5557e+01   1.3432e+01      320      304      368     2296
  0.138186   1.1074e+01   7.0780e+00   1.9458e+01   1.2853e+01   1.1263e+01   9.7615e+00   1.4703e+01   1.2551e+01      328      336      296     2320
  0.142191   1.3747e+01   5.4495e+00   1.6774e+01   1.0215e+01   1.3478e+01   8.3167e+00   1.4952e+01   1.0835e+01      304      296      344     2304
  0.146196   1.2273e+01   5.4129e+00   1.0892e+01   9.3083e+00   1.1690e+01   7.9969e+00   1.0358e+01   9.8129e+00      336      352      304     2352
  0.150202   1.1259e+01   3.4399e+00   1.1647e+01   8.7600e+00   1.1156e+01   5.4583e+00   1.0912e+01   9.5045e+00      328      352      312     2416
  0.154207   8.4402e+00   3.6193e+00   1.0688e+01   7.8752e+00   7.5462e+00   6.3471e+00   8.0617e+00   7.8832e+00      320      272      360     2352
  0.158213   1.1070e+01   3.3214e+00   8.3048e+00   7.0959e+00   7.4028e+00   5.9272e+00   6.0890e+00   6.8160e+00      360      400      312     2544
  0.162218   9.5192e+00   2.9124e+00   1.1296e+01   7.2428e+00   6.9653e+00   4.8947e+00   7.1340e+00   6.7677e+00      304      304      328     2288
  0.166223   1.2778e+01   3.4001e+00   1.1862e+01   6.9342e+00   1.0042e+01   5.6872e+00   8.2774e+00   6.9789e+00      280      336      312     2520
  0.170229   8.5857e+00   2.5024e+00   9.1325e+00   5.9311e+00   8.3403e+00   4.1746e+00   8.0236e+00   6.4664e+00      360      384      352     2520
  0.174234   1.0666e+01   2.5984e+00   9.3380e+00   6.1386e+00   9.3796e+00   4.7154e+00   8.9413e+00   6.7657e+00      424      312      392     2632
  0.178240   8.1025e+00   1.4849e+00   8.2302e+00   4.9355e+00   7.5066e+00   2.8213e+00   7.6768e+00   5.4471e+00      320      352      344     2616
  0.182245   5.3285e+00   2.3806e+00   6.7483e+00   4.1475e+00   6.0143e+00   4.1255e+00   7.0579e+00   5.1677e+00      304      416      400     2600
  0.186250   7.2484e+00   1.8564e+00   7.5250e+00   4.8551e+00   8.0440e+00   3.2978e+00   7.5770e+00   5.7181e+00      416      328      328     2680
  0.190256   7.9806e+00   1.7577e+00   8.7727e+00   4.8838e+00   8.4302e+00   3.2732e+00   8.2081e+00   5.6219e+00      384      400      368     2632
  0.194261   7.9448e+00   1.5039e+00   7.8137e+00   4.5261e+00   8.0309e+00   2.5243e+00   7.3564e+00   5.1133e+00      352      368      384     2800
  0.198266   6.0039e+00   1.4490e+00   6.4643e+00   3.8125e+00   6.7134e+00   2.7502e+00   6.4603e+00   4.6012e+00      312      352      376     2696
  0.202272   7.6496e+00   1.2308e+00   4.6295e+00   3.9444e+00   7.4691e+00   2.4571e+00   4.9640e+00   4.5971e+00      408      376      360     2640
  0.206277   6.8340e+00   1.2419e+00   5.5412e+00   3.5757e+00   6.8459e+00   2.3580e+00   5.7203e+00   4.1060e+00      448      400      392     2848
  0.210283   7.4767e+00   1.2388e+00   5.5994e+00   3.2813e+00   7.3103e+00   2.1805e+00   5.4301e+00   3.9101e+00      344      400      408     2904
  0.214288   5.4373e+00   1.4820e+00   3.8132e+00   3.2684e+00   5.9714e+00   2.5537e+00   4.3699e+00   3.9781e+00      336      376      368     2736
  0.218293   4.5901e+00   9.9062e-01   4.0583e+00   2.6364e+00   5.4220e+00   1.9834e+00   4.4903e+00   3.4029e+00      376      376      408     2736
  0.222299   4.9881e+00   1.0269e+00   3.9499e+00   2.5770e+00   5.7521e+00   1.8629e+00   4.2583e+00   3.2603e+00      456      440      408     3040
  0.226304   4.9767e+00   5.0747e-01   3.6040e+00   2.3282e+00   5.7089e+00   1.0019e+00   3.9595e+00   2.9090e+00      400      336      376     2808
  0.230309   4.5785e+00   7.5870e-01   3.0942e+00   2.0721e+00   5.2050e+00   1.3342e+00   3.4926e+00   2.6662e+00      320      448      344     2856
  0.234315   4.7894e+00   6.5781e-01   2.7241e+00   2.1103e+00   5.0417e+00   1.2233e+00   3.1498e+00   2.6395e+00      440      416      424     2976
  0.238320   3.4464e+00   9.4935e-01   2.9541e+00   1.8439e+00   4.2373e+00   1.7025e+00   3.3501e+00   2.4654e+00      424      384      400     3048
$$


TWINNING ANALYSIS:


Data has been truncated at   2.67 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   2.67 A resolution


$TABLE: L test for twinning:
$GRAPHS: cumulative distribution function for |L|:0|1x0|1:1,2,3,4:
$$ |L| Observed Expected_untwinned Expected_twinned $$
$$
0.000000 0.000000 0.000000 0.000000
0.050000 0.058065 0.050000 0.074938
0.100000 0.107126 0.100000 0.149500
0.150000 0.157905 0.150000 0.223312
0.200000 0.208577 0.200000 0.296000
0.250000 0.258694 0.250000 0.367188
0.300000 0.309708 0.300000 0.436500
0.350000 0.360259 0.350000 0.503562
0.400000 0.411202 0.400000 0.568000
0.450000 0.462010 0.450000 0.629437
0.500000 0.512868 0.500000 0.687500
0.550000 0.563483 0.550000 0.741812
0.600000 0.612815 0.600000 0.792000
0.650000 0.662311 0.650000 0.837688
0.700000 0.710973 0.700000 0.878500
0.750000 0.761132 0.750000 0.914062
0.800000 0.810157 0.800000 0.944000
0.850000 0.860081 0.850000 0.967937
0.900000 0.909598 0.900000 0.985500
0.950000 0.959066 0.950000 0.996313
1.000000 1.000000 1.000000 1.000000
$$

$TABLE: Acentric moments of I:
$GRAPHS: 2nd moment of I 1.992 (Expected value = 2, Perfect Twin = 1.5):0|0.240x0|5:1,2:
: 3rd & 4th moments of I (Expected values = 6, 24, Perfect twin = 3, 7.5):0|0.240x0|2:1,3,4:
$$ 1/resol^2 <I**2> <I**3> <I**4> $$
$$
  0.004005   1.855399   4.326830  12.121888
  0.012016   1.785834   4.637228  15.283763
  0.020026   2.164518   7.006582  30.099832
  0.028037   1.715639   4.342413  13.627666
  0.036048   1.969105   5.450340  18.630580
  0.044058   1.907907   5.707915  23.356015
  0.052069   2.147625   6.980109  28.848479
  0.060079   2.020150   5.583459  18.500389
  0.068090   1.818707   4.875810  18.132892
  0.076100   2.032743   6.322952  25.276150
  0.084111   2.107265   6.538474  25.747779
  0.092121   1.849728   4.921036  16.453102
  0.100132   1.971134   5.815744  22.252938
  0.108143   2.018105   5.914624  22.243780
  0.116153   1.983850   5.497994  18.564507
  0.124164   2.039245   6.801344  32.621250
  0.132174   2.141799   6.829106  27.592563
  0.140185   2.266898   8.565879  44.955355
  0.148195   2.132245   6.684778  25.791976
  0.156206   2.182540   7.117771  29.892382
  0.164217   2.194621   7.455438  33.696096
  0.172227   2.196789   7.206584  30.082206
  0.180238   2.012559   5.898250  22.541507
  0.188248   2.375908   8.347180  37.203291
  0.196259   2.338849   8.140399  35.502923
  0.204269   2.686969  12.672376  80.259579
  0.212280   2.185647   7.134162  30.347326
  0.220291   2.324815   7.790690  31.986660
  0.228301   2.566957  10.455242  55.277590
  0.236312   2.362407   8.718522  43.106655
$$

$TABLE: Centric moments of I:
$GRAPHS: 2nd moment of I 0.711 (Expected = 3, Perfect Twin = 2):0|0.240x0|5:1,2:
: 3rd & 4th moments of I (Expected = 15, 105, Perfect Twin = 6, 24):0|0.240x0|4:1,3,4:
$$ 1/resol^2 <I**2> <I**3> <I**4> $$
$$
  0.004005   0.964115   2.868779  10.571581
  0.012016   0.751928   1.230343   2.230533
  0.020026   0.637173   1.234726   2.749337
  0.028037   1.038062   2.906775   9.630921
  0.036048   0.541481   0.881576   1.662014
  0.044058   0.402950   0.465681   0.630216
  0.052069   0.682604   1.293805   2.883474
  0.060079   0.636619   1.219318   2.889447
  0.068090   0.632843   1.010045   1.952300
  0.076100   0.495866   0.762214   1.357919
  0.084111   0.769675   1.674899   4.413417
  0.092121   0.525585   0.762680   1.300683
  0.100132   0.799148   1.649386   4.003309
  0.108143   0.543621   0.898289   1.689554
  0.116153   0.754061   1.847841   5.623490
  0.124164   0.593786   1.048701   2.347400
  0.132174   1.095120   4.345853  21.422697
  0.140185   0.657856   1.206994   2.638062
  0.148195   0.759433   1.521523   3.433705
  0.156206   1.073442   3.760765  14.785667
  0.164217   0.598688   0.899408   1.497740
  0.172227   0.757575   1.666135   4.519868
  0.180238   0.765465   1.839433   5.333784
  0.188248   0.949774   2.645245   8.593195
  0.196259   0.930642   1.906202   4.512733
  0.204269   1.224581   5.467352  27.154226
  0.212280   0.746286   1.800232   5.133131
  0.220291   0.661083   1.274604   3.044760
  0.228301   1.696474   7.142501  33.396103
  0.236312   0.590545   0.940283   1.599695
$$


Mean acentric moments I from input data:

  <I^2>/<I>^2 =  1.992 (Expected =  2.000, Perfect Twin =  1.500)
  <I^3>/<I>^3 =  5.883 (Expected value =  6.000, Perfect Twin =  3.000)
  <I^4>/<I>^4 = 22.644 (Expected value = 24.000, Perfect Twin =  7.500)


Mean acentric moments I from anisotropically corrected data:

  <I^2>/<I>^2 =  1.930 (Expected =  2.000, Perfect Twin =  1.500)
  <I^3>/<I>^3 =  5.461 (Expected value =  6.000, Perfect Twin =  3.000)
  <I^4>/<I>^4 = 20.224 (Expected value = 24.000, Perfect Twin =  7.500)


Twin fraction estimates excluding operators
  Twin fraction estimate from L-test:  0.04
  Twin fraction estimate from moments: 0.036

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   0.00117  29.26      33 35.4 44.6   35.4 44.6   36.5 42.4   39.0  0.0   38.3 39.7   38.3 39.7   36.5 42.4   38.3 39.7
     2   0.00350  16.89      39 38.0 53.4   38.0 53.4   42.8 47.1   44.7  0.0   45.2 44.1   45.2 44.1   42.8 47.1   45.2 44.1
     3   0.00584  13.08      43 38.7 51.1   38.7 51.1   42.5 46.4   44.2  0.0   45.7 42.8   45.7 42.8   42.5 46.4   45.7 42.8
     4   0.00818  11.06      51 37.5 49.2   37.5 49.2   39.5 46.3   43.0  0.0   41.9 44.0   41.9 44.0   39.5 46.3   41.9 44.0
     5   0.01051   9.75      54 38.5 49.7   38.5 49.7   42.3 45.4   43.7  0.0   43.4 44.0   43.4 44.0   42.3 45.4   43.4 44.0
     6   0.01285   8.82      59 37.4 43.5   37.4 43.5   42.0 37.8   40.2  0.0   37.9 42.2   37.9 42.2   42.0 37.8   37.9 42.2
     7   0.01519   8.11      68 36.4 35.5   36.4 35.5   31.9 40.0   36.0  0.0   34.5 37.6   34.5 37.6   31.9 40.0   34.5 37.6
     8   0.01752   7.55      60 38.6 38.1   38.6 38.1   37.5 39.4   38.4  0.0   38.5 38.3   38.5 38.3   37.5 39.4   38.5 38.3
     9   0.01986   7.10      76 28.5 35.7   28.5 35.7   30.2 33.5   31.6  0.0   29.4 34.4   29.4 34.4   30.2 33.5   29.4 34.4
    10   0.02220   6.71      70 32.1 28.4   32.1 28.4   30.0 30.8   30.4  0.0   28.6 31.9   28.6 31.9   30.0 30.8   28.6 31.9
    11   0.02453   6.38      82 33.0 29.7   33.0 29.7   31.4 31.4   31.4  0.0   32.0 30.7   32.0 30.7   31.4 31.4   32.0 30.7
    12   0.02687   6.10      77 28.9 34.5   28.9 34.5   34.2 29.6   31.7  0.0   30.7 32.6   30.7 32.6   34.2 29.6   30.7 32.6
    13   0.02921   5.85      88 31.8 33.2   31.8 33.2   31.0 34.2   32.4  0.0   31.5 33.1   31.5 33.1   31.0 34.2   31.5 33.1
    14   0.03154   5.63      84 29.8 38.0   29.8 38.0   32.9 35.3   34.0  0.0   31.4 37.3   31.4 37.3   32.9 35.3   31.4 37.3
    15   0.03388   5.43      89 30.0 32.8   30.0 32.8   31.6 30.9   31.3  0.0   32.7 30.1   32.7 30.1   31.6 30.9   32.7 30.1
    16   0.03622   5.25      90 30.1 38.0   30.1 38.0   32.1 35.6   34.0  0.0   32.1 35.9   32.1 35.9   32.1 35.6   32.1 35.9
    17   0.03855   5.09      97 31.0 36.7   31.0 36.7   30.8 36.1   33.4  0.0   31.9 35.1   31.9 35.1   30.8 36.1   31.9 35.1
    18   0.04089   4.95      85 28.7 31.1   28.7 31.1   28.0 32.4   30.1  0.0   30.8 29.5   30.8 29.5   28.0 32.4   30.8 29.5
    19   0.04322   4.81      89 29.5 30.2   29.5 30.2   29.5 30.2   29.9  0.0   30.6 29.2   30.6 29.2   29.5 30.2   30.6 29.2
    20   0.04556   4.68      87 29.1 31.7   29.1 31.7   31.4 28.9   30.4  0.0   28.9 31.8   28.9 31.8   31.4 28.9   28.9 31.8
    21   0.04790   4.57     109 35.4 35.1   35.4 35.1   33.1 37.6   35.2  0.0   35.0 35.5   35.0 35.5   33.1 37.6   35.0 35.5
    22   0.05023   4.46     109 33.8 31.3   33.8 31.3   35.4 30.2   32.7  0.0   32.5 32.9   32.5 32.9   35.4 30.2   32.5 32.9
    23   0.05257   4.36     106 27.7 31.3   27.7 31.3   28.3 30.6   29.4  0.0   29.7 29.2   29.7 29.2   28.3 30.6   29.7 29.2
    24   0.05491   4.27     111 30.7 34.6   30.7 34.6   32.4 33.1   32.8  0.0   35.8 29.8   35.8 29.8   32.4 33.1   35.8 29.8
    25   0.05724   4.18     113 31.2 34.7   31.2 34.7   32.7 32.6   32.7  0.0   32.0 33.4   32.0 33.4   32.7 32.6   32.0 33.4
    26   0.05958   4.10     110 29.2 34.0   29.2 34.0   31.6 31.8   31.7  0.0   31.9 31.6   31.9 31.6   31.6 31.8   31.9 31.6
    27   0.06192   4.02     114 29.6 28.1   29.6 28.1   27.8 30.3   28.9  0.0   26.1 32.4   26.1 32.4   27.8 30.3   26.1 32.4
    28   0.06425   3.95     118 31.9 33.0   31.9 33.0   32.7 32.3   32.5  0.0   30.7 34.1   30.7 34.1   32.7 32.3   30.7 34.1
    29   0.06659   3.88     123 30.2 33.3   30.2 33.3   31.0 32.8   31.8  0.0   31.1 32.5   31.1 32.5   31.0 32.8   31.1 32.5
    30   0.06893   3.81     116 33.0 34.2   33.0 34.2   29.9 37.1   33.6  0.0   33.0 34.2   33.0 34.2   29.9 37.1   33.0 34.2
    31   0.07126   3.75     138 30.2 29.4   30.2 29.4   29.4 30.3   29.9  0.0   27.5 32.2   27.5 32.2   29.4 30.3   27.5 32.2
    32   0.07360   3.69     112 29.2 33.1   29.2 33.1   28.8 33.9   31.2  0.0   31.4 31.1   31.4 31.1   28.8 33.9   31.4 31.1
    33   0.07594   3.63     125 29.9 30.0   29.9 30.0   28.4 31.8   30.0  0.0   31.0 29.0   31.0 29.0   28.4 31.8   31.0 29.0
    34   0.07827   3.57     138 26.4 32.7   26.4 32.7   29.0 30.3   29.7  0.0   29.3 30.0   29.3 30.0   29.0 30.3   29.3 30.0
    35   0.08061   3.52     130 26.8 26.5   26.8 26.5   25.4 28.0   26.7  0.0   28.4 25.0   28.4 25.0   25.4 28.0   28.4 25.0
    36   0.08294   3.47     131 26.1 25.5   26.1 25.5   24.8 27.0   25.8  0.0   26.3 25.3   26.3 25.3   24.8 27.0   26.3 25.3
    37   0.08528   3.42     140 26.9 25.5   26.9 25.5   27.1 25.7   26.3  0.0   27.6 25.1   27.6 25.1   27.1 25.7   27.6 25.1
    38   0.08762   3.38     123 25.0 25.2   25.0 25.2   25.5 24.7   25.1  0.0   25.7 24.6   25.7 24.6   25.5 24.7   25.7 24.6
    39   0.08995   3.33     154 26.2 25.5   26.2 25.5   25.2 26.4   25.8  0.0   27.8 23.5   27.8 23.5   25.2 26.4   27.8 23.5
    40   0.09229   3.29     132 24.2 23.9   24.2 23.9   22.7 25.4   24.0  0.0   25.2 22.8   25.2 22.8   22.7 25.4   25.2 22.8
    41   0.09463   3.25     132 21.1 22.3   21.1 22.3   21.3 22.1   21.7  0.0   21.2 22.1   21.2 22.1   21.3 22.1   21.2 22.1
    42   0.09696   3.21     150 22.8 19.1   22.8 19.1   20.6 21.7   21.1  0.0   21.9 20.3   21.9 20.3   20.6 21.7   21.9 20.3
    43   0.09930   3.17     154 21.3 21.4   21.3 21.4   20.5 22.4   21.3  0.0   22.6 20.1   22.6 20.1   20.5 22.4   22.6 20.1
    44   0.10164   3.14     140 19.5 18.2   19.5 18.2   19.4 18.2   18.9  0.0   20.3 17.4   20.3 17.4   19.4 18.2   20.3 17.4
    45   0.10397   3.10     143 17.8 21.2   17.8 21.2   19.5 19.5   19.5  0.0   19.8 19.1   19.8 19.1   19.5 19.5   19.8 19.1
    46   0.10631   3.07     151 16.9 18.6   16.9 18.6   16.5 19.0   17.8  0.0   18.8 17.1   18.8 17.1   16.5 19.0   18.8 17.1
    47   0.10865   3.03     152 18.8 17.1   18.8 17.1   18.3 17.5   17.9  0.0   18.7 17.2   18.7 17.2   18.3 17.5   18.7 17.2
    48   0.11098   3.00     154 16.2 18.6   16.2 18.6   19.6 14.9   17.2  0.0   18.6 16.0   18.6 16.0   19.6 14.9   18.6 16.0
    49   0.11332   2.97     157 16.5 17.9   16.5 17.9   16.4 18.0   17.2  0.0   17.8 16.5   17.8 16.5   16.4 18.0   17.8 16.5
    50   0.11566   2.94     149 13.9 17.5   13.9 17.5   14.9 16.2   15.5  0.0   14.9 16.4   14.9 16.4   14.9 16.2   14.9 16.4
    51   0.11799   2.91     149 15.1 15.8   15.1 15.8   14.4 16.7   15.4  0.0   15.4 15.5   15.4 15.5   14.4 16.7   15.4 15.5
    52   0.12033   2.88     172 15.8 15.9   15.8 15.9   15.3 16.4   15.8  0.0   16.7 15.2   16.7 15.2   15.3 16.4   16.7 15.2
    53   0.12266   2.86     170 12.9 13.9   12.9 13.9   14.6 12.1   13.4  0.0   13.1 13.7   13.1 13.7   14.6 12.1   13.1 13.7
    54   0.12500   2.83     139 15.2 14.8   15.2 14.8   15.2 14.7   15.0  0.0   14.7 15.3   14.7 15.3   15.2 14.7   14.7 15.3
    55   0.12734   2.80     169 13.4 14.6   13.4 14.6   15.6 11.9   14.0  0.0   13.8 14.1   13.8 14.1   15.6 11.9   13.8 14.1
    56   0.12967   2.78     163 14.0 12.8   14.0 12.8   13.3 13.5   13.4  0.0   12.8 14.2   12.8 14.2   13.3 13.5   12.8 14.2
    57   0.13201   2.75     182 12.3 13.3   12.3 13.3   11.8 13.7   12.8  0.0   13.3 12.4   13.3 12.4   11.8 13.7   13.3 12.4
    58   0.13435   2.73     146 13.3 13.4   13.3 13.4   14.0 12.7   13.3  0.0   14.2 12.6   14.2 12.6   14.0 12.7   14.2 12.6
    59   0.13668   2.70     169 13.4 12.5   13.4 12.5   13.6 12.4   12.9  0.0   14.2 11.8   14.2 11.8   13.6 12.4   14.2 11.8
    60   0.13902   2.68      91 10.7 12.1   10.7 12.1   11.4 11.3   11.3  0.0   11.3 11.4   11.3 11.4   11.4 11.3   11.3 11.4

Totals:                    6905 24.1 25.4   24.1 25.4   24.3 25.1   24.7  0.0   24.8 24.6   24.8 24.6   24.3 25.1   24.8 24.6

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

ICE RINGS:

No Ice Rings detected

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

Ice Ring Summary:
 reso mean_I mean_Sigma Estimated_I Zscore Completeness Ave_Completeness
  3.90 87.51      2.11       83.85      1.74   1.00   1.00  
  3.67 76.57      2.01       71.32      2.62   0.99   1.00  
  3.44 58.94      1.66       55.36      2.15   1.00   1.00  
  2.67 11.01      0.77       11.76      -0.98  1.00   1.00  
  2.25 3.81       0.69       4.19       -0.56  0.99   1.00  
  2.08 2.10       0.66       2.06       0.06   0.99   0.99  

<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 = 24.212 intercept =  8.970 siga =  0.381 sigb =  0.039
scale factor on intensity =  7865.4697

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

$TABLE: Wilson plot:
$GRAPHS: Wilson plot - estimated B factor =  24.2 :A:1,2,3:
$$ 1/resol^2 ln(I/I_th) Best $$
$$
   0.00837   -8.90705   -8.99052 
   0.01875   -9.59531   -9.51591 
   0.02685   -9.80283   -9.79317 
   0.03398   -9.66238   -9.60674 
   0.04057   -9.41126   -9.30895 
   0.04708   -9.19967   -9.12455 
   0.05283   -9.20399   -9.09527 
   0.05826   -9.18113   -9.14212 
   0.06348   -9.20678   -9.21216 
   0.06856   -9.09577   -9.28173 
   0.07331   -9.18940   -9.35419 
   0.07808   -9.23580   -9.43441 
   0.08258   -9.42198   -9.51437 
   0.08703   -9.51100   -9.60701 
   0.09136   -9.61546   -9.71468 
   0.09565   -9.83048   -9.82772 
   0.09974   -9.93575   -9.93100 
   0.10384  -10.14148  -10.02257 
   0.10790  -10.16457  -10.11207 
   0.11178  -10.19846  -10.19353 
   0.11564  -10.29301  -10.27825 
   0.11957  -10.38595  -10.36324 
   0.12316  -10.52000  -10.43457 
   0.12693  -10.49747  -10.50712 
   0.13063  -10.59204  -10.57270 
   0.13404  -10.57021  -10.62598 
   0.13777  -10.65222  -10.67584 
   0.14120  -10.89294  -10.71740 
   0.14469  -10.94797  -10.75991 
   0.14811  -10.94293  -10.79859 
   0.15149  -11.09838  -10.84640 
   0.15499  -11.12940  -10.89366 
   0.15824  -11.17832  -10.93038 
   0.16156  -11.11093  -10.96163 
   0.16511  -11.21211  -10.99353 
   0.16825  -11.25164  -11.02958 
   0.17144  -11.32669  -11.05388 
   0.17463  -11.25108  -11.07989 
   0.17777  -11.40880  -11.10578 
   0.18082  -11.61196  -11.12733 
   0.18393  -11.65097  -11.15489 
   0.18705  -11.41044  -11.17935 
   0.19006  -11.45332  -11.20181 
   0.19312  -11.45167  -11.22502 
   0.19611  -11.61273  -11.24691 
   0.19907  -11.63281  -11.27546 
   0.20207  -11.59518  -11.30735 
   0.20512  -11.68864  -11.33622 
   0.20788  -11.75075  -11.36772 
   0.21067  -11.72247  -11.40009 
   0.21376  -11.69396  -11.43592 
   0.21658  -11.89296  -11.47436 
   0.21950  -11.97369  -11.50534 
   0.22227  -11.94999  -11.52990 
   0.22509  -11.94718  -11.55560 
   0.22796  -12.19889  -11.58982 
   0.23064  -12.10911  -11.62752 
   0.23359  -12.17068  -11.67913 
   0.23631  -12.14260  -11.72280 
   0.23889  -12.23047  -11.76191 
$$

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  0.03407  0.00000  0.07088
   0.04000  0.03921  0.00303  0.06007  0.15852  0.14825
   0.08000  0.07688  0.01151  0.09006  0.22270  0.20954
   0.12000  0.11308  0.02458  0.12327  0.27097  0.25531
   0.16000  0.14786  0.04148  0.15697  0.31084  0.29603
   0.20000  0.18127  0.06155  0.18827  0.34528  0.32996
   0.24000  0.21337  0.08420  0.22080  0.37579  0.36120
   0.28000  0.24422  0.10891  0.25320  0.40330  0.39422
   0.32000  0.27385  0.13524  0.28471  0.42839  0.42212
   0.36000  0.30232  0.16279  0.31437  0.45149  0.44441
   0.40000  0.32968  0.19121  0.34179  0.47291  0.46555
   0.44000  0.35596  0.22021  0.36912  0.49288  0.48966
   0.48000  0.38122  0.24953  0.39532  0.51158  0.50822
   0.52000  0.40548  0.27895  0.41918  0.52916  0.52401
   0.56000  0.42879  0.30829  0.44262  0.54574  0.54440
   0.60000  0.45119  0.33737  0.46688  0.56142  0.56142
   0.64000  0.47271  0.36607  0.48877  0.57629  0.57905
   0.68000  0.49338  0.39428  0.51033  0.59041  0.59584
   0.72000  0.51325  0.42190  0.53244  0.60386  0.60750
   0.76000  0.53233  0.44885  0.55284  0.61667  0.62255
   0.80000  0.55067  0.47507  0.57080  0.62891  0.63319
   0.84000  0.56829  0.50052  0.59026  0.64060  0.64495
   0.88000  0.58522  0.52516  0.60715  0.65180  0.65531
   0.92000  0.60148  0.54896  0.62363  0.66253  0.66799
   0.96000  0.61711  0.57191  0.63955  0.67281  0.67648
   1.00000  0.63212  0.59399  0.65528  0.68269  0.68626
   1.04000  0.64655  0.61521  0.66953  0.69218  0.69593
   1.08000  0.66040  0.63557  0.68438  0.70130  0.70051
   1.12000  0.67372  0.65507  0.69589  0.71008  0.70733
   1.16000  0.68651  0.67373  0.70992  0.71853  0.71576
   1.20000  0.69881  0.69156  0.72269  0.72668  0.72504
   1.24000  0.71062  0.70857  0.73543  0.73453  0.73438
   1.28000  0.72196  0.72480  0.74690  0.74210  0.74123
   1.32000  0.73286  0.74025  0.75715  0.74941  0.74762
   1.36000  0.74334  0.75495  0.76718  0.75646  0.75439
   1.40000  0.75340  0.76892  0.77732  0.76328  0.75935
   1.44000  0.76307  0.78220  0.78805  0.76986  0.76190
   1.48000  0.77236  0.79480  0.79787  0.77623  0.76757
   1.52000  0.78129  0.80675  0.80572  0.78238  0.77368
   1.56000  0.78986  0.81807  0.81387  0.78833  0.78182
   1.60000  0.79810  0.82880  0.82077  0.79410  0.78589
   1.64000  0.80602  0.83895  0.82847  0.79967  0.79101
   1.68000  0.81363  0.84855  0.83653  0.80508  0.79665
   1.72000  0.82093  0.85763  0.84353  0.81031  0.80086
   1.76000  0.82796  0.86621  0.84970  0.81538  0.80496
   1.80000  0.83470  0.87431  0.85666  0.82029  0.80869
   1.84000  0.84118  0.88196  0.86189  0.82505  0.81481
   1.88000  0.84741  0.88917  0.86722  0.82967  0.81940
   1.92000  0.85339  0.89597  0.87268  0.83414  0.82495
   1.96000  0.85914  0.90238  0.87876  0.83849  0.82953
   2.00000  0.86466  0.90842  0.88409  0.84270  0.83331
$$

Estimated limits of anomalous signal
      Wang limit (deltaI/I) > 0.6% : 2 A 
      anomalous limit (deltaI/sig) > 1.3 : 4 A 
      measurability limit (Nanon/Nov) > 5% : 3.8 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:
$$ 1/resol^2 Mn(dI) Mn(dI/sigdI)) Mn(dI/I) measurability$$
$$
  0.002003   9.7925e-01   1.5779e-01   4.1872e-03   0.0000e+00
  0.006008   1.4799e+00   2.4836e-01   1.2556e-02   0.0000e+00
  0.010013   2.0519e+00   4.3577e-01   1.6113e-02   0.0000e+00
  0.014019   1.2804e+00   3.8127e-01   1.3364e-02   7.0922e-03
  0.018024   1.0853e+00   3.9497e-01   1.5108e-02   6.0976e-03
  0.022030   1.1298e+00   4.7634e-01   2.2416e-02   0.0000e+00
  0.026035   1.2547e+00   4.2580e-01   1.8733e-02   0.0000e+00
  0.030040   1.5845e+00   5.5176e-01   2.5886e-02   0.0000e+00
  0.034046   1.4255e+00   5.1498e-01   2.6340e-02   5.1813e-03
  0.038051   3.1767e+00   7.9864e-01   4.4947e-02   5.4645e-03
  0.042057   5.0725e+00   7.3031e-01   8.2759e-02   9.3897e-03
  0.046062   8.7806e+00   1.4412e+00   9.0892e-02   5.0761e-03
  0.050067   3.1072e+00   7.0109e-01   3.2540e-02   2.3364e-02
  0.054073   3.8797e+00   9.5723e-01   4.0523e-02   4.3668e-03
  0.058078   3.6642e+00   9.3325e-01   4.4190e-02   3.1674e-02
  0.062083   5.2229e+00   1.5259e+00   6.6129e-02   4.6809e-02
  0.066089   4.3944e+00   1.2874e+00   4.7457e-02   3.6199e-02
  0.070094   4.8096e+00   1.1255e+00   5.3459e-02   6.0150e-02
  0.074100   4.3253e+00   1.1574e+00   5.6870e-02   2.5862e-02
  0.078105   3.6347e+00   1.0014e+00   5.2627e-02   4.1825e-02
  0.082110   2.7929e+00   8.6696e-01   4.8150e-02   2.3256e-02
  0.086116   2.3775e+00   8.9452e-01   4.6349e-02   1.8868e-02
  0.090121   2.8800e+00   1.1027e+00   6.4272e-02   3.3210e-02
  0.094126   2.0046e+00   7.9757e-01   5.1545e-02   1.8519e-02
  0.098132   2.1607e+00   9.1212e-01   6.4287e-02   2.0270e-02
  0.102137   1.8000e+00   8.0941e-01   7.7271e-02   1.9305e-02
  0.106143   2.1389e+00   9.3747e-01   8.5951e-02   2.3810e-02
  0.110148   1.5882e+00   7.4393e-01   6.0170e-02   1.3559e-02
  0.114153   1.6531e+00   8.6097e-01   7.7069e-02   7.0922e-03
  0.118159   1.5132e+00   7.9050e-01   7.7497e-02   9.6774e-03
  0.122164   1.2745e+00   7.6090e-01   7.9236e-02   3.2468e-03
  0.126170   1.2950e+00   7.2290e-01   7.4384e-02   3.3333e-03
  0.130175   1.4645e+00   8.5310e-01   9.9907e-02   2.9851e-03
  0.134180   1.2161e+00   7.2567e-01   8.5482e-02   3.4247e-03
  0.138186   1.1744e+00   7.6147e-01   1.0766e-01   6.2696e-03
  0.142191   1.1238e+00   7.3717e-01   1.1555e-01   6.1728e-03
  0.146196   1.0443e+00   6.7280e-01   1.0976e-01   0.0000e+00
  0.150202   1.1708e+00   7.5875e-01   1.5595e-01   3.2680e-03
  0.154207   1.1532e+00   7.1789e-01   1.5898e-01   0.0000e+00
  0.158213   1.4777e+00   8.1821e-01   1.8723e-01   5.9524e-03
  0.162218   1.5971e+00   8.9754e-01   2.4242e-01   5.9701e-03
  0.166223   1.1149e+00   7.0323e-01   1.8053e-01   0.0000e+00
  0.170229   1.0409e+00   6.9391e-01   1.5816e-01   2.7397e-03
  0.174234   1.2162e+00   7.6447e-01   2.0356e-01   3.0303e-03
  0.178240   9.8111e-01   7.0184e-01   2.3855e-01   5.3191e-03
  0.182245   1.0426e+00   7.3550e-01   2.5614e-01   2.8571e-03
  0.186250   1.0292e+00   7.0218e-01   2.1419e-01   0.0000e+00
  0.190256   9.4041e-01   6.3230e-01   1.8232e-01   0.0000e+00
  0.194261   1.0911e+00   7.5464e-01   2.8075e-01   0.0000e+00
  0.198266   1.0638e+00   7.3732e-01   2.6383e-01   0.0000e+00
  0.202272   1.1134e+00   7.4910e-01   2.8168e-01   0.0000e+00
  0.206277   1.0289e+00   7.1377e-01   2.5399e-01   0.0000e+00
  0.210283   1.0983e+00   7.5501e-01   3.3060e-01   2.8090e-03
  0.214288   1.0164e+00   7.0870e-01   3.3013e-01   0.0000e+00
  0.218293   1.0034e+00   7.0352e-01   3.8216e-01   0.0000e+00
  0.222299   1.0305e+00   7.2827e-01   3.7030e-01   0.0000e+00
  0.226304   9.8731e-01   7.2090e-01   4.5668e-01   0.0000e+00
  0.230309   9.0077e-01   6.5023e-01   3.2030e-01   0.0000e+00
  0.234315   9.6051e-01   6.9042e-01   4.9724e-01   0.0000e+00
  0.238320   9.2272e-01   6.7324e-01   4.3615e-01   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    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.40000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.32500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -4.25000    0.00000    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    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.87500    0.00000    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    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.65000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.57500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.50000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.42500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.35000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.27500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.20000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -3.12500    0.00000    0.00000    0.00000    0.50000    0.00000    0.00000
  -3.05000    0.00000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.97500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.90000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.82500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.75000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.67500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.60000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.52500    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.45000    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.37500    0.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.30000    0.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.22500    0.50000    0.00000    0.00000    0.00000    0.00000    0.00000
  -2.15000    0.50000    0.00000    0.00000    0.50000    0.00000    0.00000
  -2.07500    0.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -2.00000    0.00000    0.00000    0.00000    1.00000    0.00000    0.00000
  -1.92500    0.00000    0.00000    0.00000    1.50000    0.00000    0.00000
  -1.85000    0.50000    0.00000    0.00000    2.50000    0.00000    0.00000
  -1.77500    1.00000    0.00000    0.00000    3.50000    0.00000    0.00000
  -1.70000    1.50000    0.00000    0.00000    2.50000    0.00000    0.00000
  -1.62500    1.50000    0.00000    0.00000    4.00000    0.00000    0.00000
  -1.55000    2.00000    0.00000    0.00000    5.50000    0.00000    0.00000
  -1.47500    1.50000    0.00000    0.00000    6.50000    0.00000    0.00000
  -1.40000    1.00000    0.00000    0.00000    9.50000    0.00000    0.00000
  -1.32500    1.50000    0.00000    0.00000   10.00000    0.00000    0.00000
  -1.25000    0.50000    0.00000    0.00000   11.00000    0.00000    0.00000
  -1.17500    3.00000    0.00000    0.00000   11.50000    0.00000    0.00000
  -1.10000    4.50000    0.00000    0.00000   14.00000    0.00000    0.00000
  -1.02500    5.00000    0.00000    0.00000   18.00000    0.00000    0.00000
  -0.95000    5.50000    0.00000    0.00000   20.50000    0.00000    0.00000
  -0.87500    5.50000    0.00000    0.00000   21.00000    0.00000    0.00000
  -0.80000    9.50000    0.00000    0.00000   18.50000    0.00000    0.00000
  -0.72500   10.50000    0.00000    0.00000   23.00000    0.00000    0.00000
  -0.65000    7.50000    0.00000    0.00000   33.00000    0.00000    0.00000
  -0.57500   11.50000    0.00000    0.00000   33.00000    0.00000    0.00000
  -0.50000   20.00000    0.00000    0.00000   38.00000    0.00000    0.00000
  -0.42500   25.50000    0.00000    0.00000   37.50000    0.00000    0.00000
  -0.35000   34.00000    0.00000    0.00000   35.50000    0.00000    0.00000
  -0.27500   49.00000    0.00000    0.00000   41.00000    0.00000    0.00000
  -0.20000   68.50000    0.00000    0.00000   42.50000    0.00000    0.00000
  -0.12500   98.00000    0.00000    0.00000   51.00000    0.00000    0.00000
  -0.05000  202.00000   46.50000    0.00000   54.00000    0.00000    0.00000
   0.02500  386.00000  266.50000   20.00000   52.50000    0.00000    0.00000
   0.10000  477.50000  507.50000   73.00000   55.50000    0.00000    0.00000
   0.17500  471.00000  567.00000  153.00000   65.50000    0.00000    0.00000
   0.25000  493.00000  587.50000  265.50000   71.00000    0.00000    0.00000
   0.32500  478.00001  585.50001  393.49998   70.00000    0.00000    0.00000
   0.40000  449.50000  552.50000  497.00001   64.00000    0.00000    0.00000
   0.47500  467.00000  539.50000  586.99999   61.50000    0.00000    0.00000
   0.55000  449.49999  503.49999  648.50000   72.00000    0.00000    0.00000
   0.62500  428.00000  479.50000  691.00000   81.00000    0.00000    0.00000
   0.70000  409.50001  453.50001  736.50000   84.00000    2.00000    0.00000
   0.77500  391.00000  428.50000  741.50001   82.50000   28.49998    0.00000
   0.85000  380.49999  421.99999  751.00001   89.00001   59.50000    0.00000
   0.92500  355.50000  386.49999  731.99999   91.00000   61.50000    0.00000
   1.00000  330.50000  353.00000  687.50000   83.50000   50.00000    0.00000
   1.07500  324.50001  347.50000  684.50000   81.00000   73.00004    0.00000
   1.15000  342.00000  343.00000  694.50000   83.00000  176.49995    0.00000
   1.22500  314.99998  310.99998  667.99998   94.00001  267.00001    0.00000
   1.30000  293.99998  298.99998  610.00003   97.50001  283.00000    0.00000
   1.37500  301.50000  311.00000  579.00000  102.50000  270.50000   20.00000
   1.45000  284.99999  291.49998  541.49996  106.99999  240.49998   47.50001
   1.52500  265.00001  262.00001  498.00001   89.00001  228.50000   54.50000
   1.60000  260.50000  252.00000  469.99999   77.50000  216.49999   46.50000
   1.67500  247.00002  243.00001  437.50002   80.00000  196.50000   34.50001
   1.75000  226.50000  222.50000  384.00000   90.00000  177.00000   27.50000
   1.82500  221.00000  224.00001  347.50000   95.50000  145.49998   25.00000
   1.90000  212.50000  227.00001  315.50002  100.49999  137.50000   24.00000
   1.97500  214.50000  213.50000  271.99999  100.49999  140.00000   31.50001
   2.05000  209.50002  201.00001  239.00003   93.50000  138.50000   80.49995
   2.12500  182.00000  180.50000  211.00000   89.00000  132.50000  143.00000
   2.20000  170.50000  172.50001  187.99998   85.50000  114.49999  173.50001
   2.27500  181.00002  172.49999  168.99999   91.00001  118.00004  175.49998
   2.35000  179.50002  162.50001  147.00005   95.00000  114.00005  174.49999
   2.42500  169.50000  158.00000  126.00000   91.00001   98.00000  167.50002
   2.50000  164.50000  156.50000  113.00000   87.00000   99.50000  161.00000
   2.57500  148.49998  141.49998   90.49999   81.49999   88.49999  151.99998
   2.65000  138.50001  135.00002   75.99999   69.49999   73.49999  139.50001
   2.72500  135.50001  143.50000   68.50001   73.49998   69.50000  133.00002
   2.80000  135.99999  137.50001   55.00001   83.50000   75.99999  119.50001
   2.87500  139.00000  130.50000   45.00000   76.50000   80.00000  110.50000
   2.95000  123.99998  126.49999   34.99999   76.50001   84.50001  113.00001
   3.02500  115.00001  113.49998   27.50000   80.99999   75.99996  105.49996
   3.10000  105.00003  100.50001   25.50001   72.50001   67.49998   91.50000
   3.17500   96.99999   96.50000   21.00000   62.50001   68.50001   84.00001
   3.25000  106.50000   98.00000   13.50000   58.50000   65.00000   73.50000
   3.32500  103.99999   91.99999   10.50000   65.00001   69.00000   71.00000
   3.40000   97.50000   93.50002   11.99999   71.00000   71.00000   75.00001
   3.47500   99.99999   97.00001    9.00000   76.99998   66.50001   78.00000
   3.55000   88.00002   87.50001    8.50000   73.00001   61.00000   69.50001
   3.62500   78.00000   80.50000    7.50000   64.00000   64.00000   72.00000
   3.70000   76.99999   73.99999    5.00000   72.50001   70.00000   73.99999
   3.77500   72.50000   72.00001    5.00000   75.99999   67.99999   63.99999
   3.85000   80.99998   77.49999    5.50000   67.00001   65.00000   61.50000
   3.92500   81.00001   76.50001    6.00000   63.00000   59.50001   56.00001
   4.00000   67.00000   67.50000    4.00000   64.50000   49.50000   55.50000
   4.07500   58.50001   63.00000    2.49999   58.00004   55.99995   66.49997
   4.15000   61.00001   57.99999    3.00000   53.50001   63.99999   61.99997
   4.22500   60.00002   56.49999    1.50000   55.50000   55.50002   50.00000
   4.30000   55.00001   49.49995    1.50000   56.50001   47.49999   47.99999
   4.37500   56.00000   48.50000    1.00000   57.00000   53.50000   50.00000
   4.45000   55.50000   56.50001    0.50000   59.49998   59.50001   51.00001
   4.52500   56.50000   50.49999    0.50000   59.99999   58.00000   45.99999
   4.60000   54.00001   44.50000    0.50000   55.00001   59.99999   44.50000
   4.67500   44.99997   47.00002    0.50000   51.99999   54.49996   43.49999
   4.75000   48.50000   49.50000    1.00000   54.00000   51.50000   38.00000
   4.82500   43.00007   42.00003    1.00001   57.00000   57.99999   36.49999
   4.90000   35.50002   37.50000    0.00000   54.49999   54.99999   32.49999
   4.97500   42.50000   40.00000    0.00000   53.50000   50.00000   33.99998
   5.05000   46.00002   41.50000    0.00000   57.00001   57.00004   34.99997
   5.12500   41.00000   38.50000    0.00000   56.00000   50.50000   30.00000
   5.20000   34.49999   37.49999    0.00000   49.50002   46.99995   36.99997
   5.27500   42.00002   45.50001    1.00000   50.00001   50.99998   46.50001
   5.35000   41.00002   41.00003    1.50000   58.49999   52.99998   39.50003
   5.42500   31.49999   28.49999    0.50000   53.99995   53.49996   37.50004
   5.50000   30.00000   26.50000    0.00000   48.00000   45.50000   39.00000
   5.57500   29.00001   28.49999    0.50000   50.00001   50.49997   35.49998
   5.65000   26.00000   29.00000    0.50000   52.50001   51.99999   33.49999
   5.72500   26.99999   27.50000    0.00000   54.00001   54.99998   28.50000
   5.80000   25.99998   23.49998    0.00000   53.00001   49.49994   36.50004
   5.87500   24.50000   24.00000    0.00000   52.00000   42.50000   36.50000
   5.95000   30.99997   26.00001    0.00000   53.49998   44.50002   28.50000
   6.02500   29.49998   28.00001    0.00000   47.49998   46.00001   30.50001
   6.10000   24.00000   29.50001    0.00000   42.99999   52.50000   31.00001
   6.17500   25.00000   21.49997    0.00000   48.00000   57.00002   30.50001
   6.25000   23.50000   20.50000    1.00000   56.00000   55.50000   26.50000
   6.32500   23.99999   27.49999    1.00001   58.50003   47.00002   31.49995
   6.40000   23.49999   23.99998    0.00000   50.99999   37.99999   35.99998
   6.47500   19.00001   15.00001    0.00000   44.50001   38.49999   32.49999
   6.55000   19.00001   15.50002    0.00000   41.00001   44.50000   36.00001
   6.62500   20.00000   18.50000    0.00000   36.50000   41.00000   30.50000
   6.70000   20.49999   16.50001    0.50000   36.99997   41.99997   25.99999
   6.77500   15.99998   13.50000    0.50000   49.00002   47.50000   27.00000
   6.85000   13.49999   15.99999    0.00000   51.50001   53.49999   28.49999
   6.92500   14.49999   15.49998    0.00000   51.00002   53.49997   32.00001
   7.00000   13.00000   11.50000    0.00000   50.00000   45.50000   34.00000
   7.07500   14.50000   15.49998    0.00000   46.50000   40.50001   35.00000
   7.15000   16.50000   15.49999    0.00000   43.49999   43.00001   30.99999
   7.22500   16.50000   11.50000    0.00000   43.49999   48.50000   31.49999
   7.30000   15.50000   13.00001    0.00000   48.50001   43.49997   30.99997
   7.37500   13.00000   11.00000    0.00000   48.50000   39.00000   30.00000
   7.45000   11.99999   11.99997    0.00000   39.50004   38.00001   31.50001
   7.52500   13.00000   16.00000    0.00000   36.00001   38.50001   29.00000
   7.60000   10.50000   11.50001    0.00000   38.50000   39.50000   25.00001
   7.67500   11.00001   10.00001    0.00000   37.00000   38.00000   22.00001
   7.75000   11.50000   10.50000    0.00000   37.50000   41.00000   22.50000
   7.82500    8.50001    8.50000    0.00000   38.50000   35.50004   30.99995
   7.90000    7.50000    8.50000    0.00000   37.50000   35.00002   31.49998
   7.97500    9.50000   11.49999    0.00000   38.49999   39.00001   27.49999
   8.05000    9.49999   10.49998    0.00000   37.99998   37.00001   30.99999
   8.12500    8.50000    5.50000    0.00000   39.00000   41.50000   28.50000
   8.20000    8.00001    6.99998    0.00000   41.00001   35.00005   22.00003
   8.27500    8.99998    7.50003    0.00000   39.99999   31.99994   17.99999
   8.35000    8.49997    7.00002    0.00000   36.99996   35.49997   20.50002
   8.42500    8.00001    6.99999    0.00000   34.00001   35.00001   26.50002
   8.50000    8.00000    7.00000    0.00000   32.50000   34.50000   31.50000
   8.57500    6.50000    8.00001    0.00000   32.99998   35.99998   30.50001
   8.65000    7.99999    8.49998    0.00000   35.00001   33.50007   29.99999
   8.72500    7.99999    7.49997    0.00000   36.50003   35.00008   24.99994
   8.80000    4.99999    3.49999    0.00000   36.49999   37.49997   23.50002
   8.87500    4.50000    4.50000    0.00000   35.50000   31.50000   27.50000
   8.95000    8.49999    5.50001    0.00000   32.50002   35.49998   26.00001
   9.02500    7.50004    3.50001    0.00000   30.49997   38.00002   29.49995
   9.10000    2.99999    2.49999    0.00000   36.00003   39.50004   29.99996
   9.17500    3.50001    5.50002    0.00000   39.00000   42.50000   24.49999
   9.25000    6.00000    6.50000    0.00000   44.00000   38.00000   23.00000
   9.32500    5.00001    3.50000    0.00000   41.50004   30.50002   24.49999
   9.40000    3.49999    2.50001    0.00000   35.49998   28.99998   29.49996
   9.47500    2.99999    3.50002    0.00000   34.49997   31.00000   30.99998
   9.55000    3.00001    5.50000    0.00000   29.99999   29.99999   27.49999
   9.62500    3.50000    4.50000    0.00000   33.00000   32.50000   21.50000
   9.70000    3.99999    5.99998    0.00000   34.50002   35.00001   18.99999
   9.77500    4.50001    4.50005    0.00000   26.00005   32.00002   24.99996
   9.85000    3.49999    2.00002    0.00000   27.50007   29.49999   29.00000
   9.92500    4.50001    1.99999    0.00000   33.50000   32.50002   30.50001
$$


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