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The following tables were found in the logfile: |
Intensity Completeness Intensity statistics L test for twinning Acentric moments of I Centric moments of I Wilson plot Cumulative intensity distribution Intensity anomalous analysis Phil plot |
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############################################################### ############################################################### ############################################################### ### CCP4 6.4: ctruncate version 1.13.13 : 27/02/14## ############################################################### 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.
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]
CRYSTAL INFO: Crystal/dataset names: /xBAZ2BAx8392/SAD
Ncentric = 1686 Number of centric bins = 60
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
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
Spacegroup: C 2 2 21 (number 20) Pointgroup: PG222
$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 $$
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
The high resolution cut-off will be used in gathering the statistics for the dataset, however the full dataset will be output
TRANSLATIONAL NCS: No translational NCS detected (with resolution limited to 4.00 A)
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
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: $$ 1/resol^2 $$ $$ 0.004005 1.855399 4.326830 12.121888 0.012016 1.785834 4.637228 15.283763 0.020026 2.164518 7.006582 30.099832 0.028037 1.715639 4.342413 13.627666 0.036048 1.969105 5.450340 18.630580 0.044058 1.907907 5.707915 23.356015 0.052069 2.147625 6.980109 28.848479 0.060079 2.020150 5.583459 18.500389 0.068090 1.818707 4.875810 18.132892 0.076100 2.032743 6.322952 25.276150 0.084111 2.107265 6.538474 25.747779 0.092121 1.849728 4.921036 16.453102 0.100132 1.971134 5.815744 22.252938 0.108143 2.018105 5.914624 22.243780 0.116153 1.983850 5.497994 18.564507 0.124164 2.039245 6.801344 32.621250 0.132174 2.141799 6.829106 27.592563 0.140185 2.266898 8.565879 44.955355 0.148195 2.132245 6.684778 25.791976 0.156206 2.182540 7.117771 29.892382 0.164217 2.194621 7.455438 33.696096 0.172227 2.196789 7.206584 30.082206 0.180238 2.012559 5.898250 22.541507 0.188248 2.375908 8.347180 37.203291 0.196259 2.338849 8.140399 35.502923 0.204269 2.686969 12.672376 80.259579 0.212280 2.185647 7.134162 30.347326 0.220291 2.324815 7.790690 31.986660 0.228301 2.566957 10.455242 55.277590 0.236312 2.362407 8.718522 43.106655 $$ $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: $$ 1/resol^2 $$ $$ 0.004005 0.964115 2.868779 10.571581 0.012016 0.751928 1.230343 2.230533 0.020026 0.637173 1.234726 2.749337 0.028037 1.038062 2.906775 9.630921 0.036048 0.541481 0.881576 1.662014 0.044058 0.402950 0.465681 0.630216 0.052069 0.682604 1.293805 2.883474 0.060079 0.636619 1.219318 2.889447 0.068090 0.632843 1.010045 1.952300 0.076100 0.495866 0.762214 1.357919 0.084111 0.769675 1.674899 4.413417 0.092121 0.525585 0.762680 1.300683 0.100132 0.799148 1.649386 4.003309 0.108143 0.543621 0.898289 1.689554 0.116153 0.754061 1.847841 5.623490 0.124164 0.593786 1.048701 2.347400 0.132174 1.095120 4.345853 21.422697 0.140185 0.657856 1.206994 2.638062 0.148195 0.759433 1.521523 3.433705 0.156206 1.073442 3.760765 14.785667 0.164217 0.598688 0.899408 1.497740 0.172227 0.757575 1.666135 4.519868 0.180238 0.765465 1.839433 5.333784 0.188248 0.949774 2.645245 8.593195 0.196259 0.930642 1.906202 4.512733 0.204269 1.224581 5.467352 27.154226 0.212280 0.746286 1.800232 5.133131 0.220291 0.661083 1.274604 3.044760 0.228301 1.696474 7.142501 33.396103 0.236312 0.590545 0.940283 1.599695 $$ Mean acentric moments I from input data: /^2 = 1.992 (Expected = 2.000, Perfect Twin = 1.500) /^3 = 5.883 (Expected value = 6.000, Perfect Twin = 3.000) /^4 = 22.644 (Expected value = 24.000, Perfect Twin = 7.500) Mean acentric moments I from anisotropically corrected data: /^2 = 1.930 (Expected = 2.000, Perfect Twin = 1.500) /^3 = 5.461 (Expected value = 6.000, Perfect Twin = 3.000) /^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
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
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
ICE RINGS: No Ice Rings detected
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
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
$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
INTENSITY TO AMPLITUDE CONVERSION: Calculation using Wilson prior 0 intensities have been rejected as unphysical
$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
$$
Estimated Optical Resolution: 1.7
$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 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