Generate File TITLE: Raw data wedge from Pin2_1_00###.img 1 to 180 at lambda= 0.999945
Crystal Identifier: Pin2_1_0
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
1 -0.03 0.00 0.00 200.3 1.000 -34 1 0.00 0.00 0.032 2.1 1130 1381 12 161 23 21.7 0.0 0.031 27 4.8
2 -0.02 0.00 0.00 200.3 1.000 -35 -1 0.00 0.00 0.033 2.2 1149 1369 15 141 16 21.8 0.0 0.061 32 4.8
3 -0.02 0.00 0.00 200.3 1.000 -34 -1 0.00 0.00 0.033 2.3 1279 1014 13 94 12 20.3 0.0 0.026 52 3.9
4 -0.01 0.00 0.00 200.3 1.000 -34 1 0.00 0.00 0.034 2.4 1321 1012 11 94 6 20.4 0.0 0.047 42 5.8
5 0.00 0.00 -0.00 200.3 1.000 -33 2 0.00 0.00 0.035 2.5 1328 1005 12 93 14 20.5 0.0 0.029 48 5.1
6 -0.01 0.00 -0.00 200.2 1.000 -33 2 0.00 0.00 0.034 2.3 1326 1025 8 132 13 20.1 0.0 0.021 46 5.4
7 -0.02 0.00 -0.00 200.2 1.000 -34 1 0.00 0.00 0.034 2.4 1303 1021 13 114 7 19.9 0.0 0.022 61 4.1
8 0.00 0.00 0.00 200.2 1.000 -34 1 0.00 0.00 0.033 2.2 1334 991 5 120 12 19.0 0.0 0.020 38 4.8
9 0.00 0.00 0.00 200.2 1.000 -33 2 0.00 0.00 0.033 2.3 1317 985 6 143 9 18.1 0.0 0.064 56 8.1
10 -0.01 0.00 0.00 200.2 1.000 -33 2 0.00 0.00 0.033 2.4 1322 1001 3 137 16 18.2 0.0 0.046 60 6.3
11 -0.01 0.00 -0.00 200.2 1.000 -33 2 0.00 0.00 0.034 2.3 1317 995 9 143 10 18.6 0.0 0.042 60 4.4
12 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.5 1329 985 6 129 6 17.3 0.0 0.041 93 4.2
13 0.00 0.00 0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.3 1315 1009 5 137 8 17.9 0.0 0.042 61 3.3
14 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.5 1296 1009 7 152 5 18.4 0.0 0.040 119 5.2
15 -0.01 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.2 1323 985 5 132 4 18.3 0.0 0.027 145 3.1
16 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.033 2.3 1336 1021 5 157 11 18.3 0.0 0.034 175 6.3
17 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.035 2.3 1319 1004 11 159 7 17.7 0.0 0.043 324 4.8
18 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.034 2.4 1337 973 6 141 7 18.1 0.0 0.045 552 7.1
19 -0.02 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.035 2.2 1320 1008 6 149 10 17.2 0.0 0.037 293 4.4
20 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.034 2.4 1275 1052 11 146 8 17.7 0.0 0.055 171 8.7
21 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.030 2.1 1344 1049 6 160 11 17.8 0.0 0.045 147 6.1
22 -0.02 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.031 2.2 1284 1011 4 161 4 16.5 0.0 0.042 103 3.7
23 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.032 2.2 1322 991 6 165 5 17.7 0.0 0.042 75 6.0
24 0.00 0.01 -0.00 200.2 1.000 -33 3 0.00 0.00 0.031 2.2 1310 1017 7 157 5 17.0 0.0 0.062 80 6.4
25 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.031 2.3 1312 1059 10 150 9 17.6 0.0 0.026 52 4.5
26 -0.01 0.01 -0.00 200.2 1.000 -34 3 0.00 0.00 0.033 2.2 1281 1042 6 158 10 17.2 0.0 0.022 46 1.0
27 -0.01 0.01 -0.00 200.2 1.000 -34 3 0.00 0.00 0.033 2.3 1322 1085 7 186 4 16.1 0.0 0.025 56 1.4
28 0.00 0.00 -0.00 200.1 1.000 -33 3 0.00 0.00 0.031 2.2 1231 1095 7 163 5 17.4 0.0 0.035 30 4.5
29 0.00 0.01 -0.00 200.1 1.000 -33 3 0.00 0.00 0.030 2.3 1346 1024 5 156 7 17.0 0.0 0.050 52 3.9
30 0.00 0.01 -0.00 200.1 1.000 -33 4 0.00 0.00 0.031 2.3 1358 985 1 165 6 14.8 0.0 0.036 53 1.7
31 0.00 0.00 -0.00 200.1 1.000 -33 4 0.00 0.00 0.031 2.3 1237 1034 3 169 3 16.6 0.0 0.048 44 10.1
32 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.032 2.3 1257 1107 6 172 4 15.6 0.0 0.027 36 2.8
33 0.00 0.00 0.00 200.1 1.000 -33 5 0.00 0.00 0.030 2.0 1385 1041 6 193 6 15.1 0.0 0.080 34 1.3
34 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.030 2.0 1213 1021 3 184 3 16.1 0.0 0.061 28 1.7
35 0.00 0.00 0.00 200.1 1.000 -33 5 0.00 0.00 0.033 2.3 1299 1115 4 203 5 15.2 0.0 0.077 52 1.0
36 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.030 2.0 1338 1083 2 204 3 14.8 0.0 0.063 48 4.8
37 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.032 2.3 1203 1046 7 191 5 16.4 0.0 0.041 42 1.1
38 0.00 0.00 0.00 200.1 1.000 -33 6 0.00 0.00 0.032 2.2 1259 1177 2 207 4 14.9 0.0 0.070 36 2.6
39 0.00 0.00 -0.00 200.1 1.000 -33 7 0.00 0.00 0.030 2.1 1313 1173 2 220 7 14.6 0.0 0.061 40 0.7
40 0.00 0.00 -0.00 200.1 1.000 -33 7 0.00 0.00 0.029 2.0 1198 1094 5 208 6 16.6 0.0 0.064 30 4.2
41 0.00 0.00 -0.00 200.1 1.000 -33 7 0.00 0.00 0.032 2.2 1263 1136 4 180 3 15.6 0.0 0.068 20 1.7
42 0.00 0.01 -0.00 200.1 1.000 -33 7 0.00 0.00 0.033 2.2 1266 1185 4 194 6 16.4 0.0 0.066 34 4.6
43 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 2.1 1256 1183 7 221 3 15.2 0.0 0.061 40 1.6
44 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.033 2.4 1198 1146 4 223 10 16.0 0.0 0.045 32 6.2
45 0.00 0.00 -0.00 200.1 1.000 -32 6 0.00 0.00 0.030 2.3 1206 1185 6 216 5 15.5 0.0 0.088 26 1.8
RESULTS OF POSTREFINEMENT
3 successive pairs of images will be used
Each image will have its own missetting angles
Initial cell parameters 78.767 78.767 36.919 90.00 90.00 90.00
Initial missetting angles -0.071 -0.143 0.008
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.250 horizontal divergence (DIVH) 0.000 vertical divergence (DIVV) 0.000
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
1 Post refinement was not performed for this image
2 -0.07 -0.16 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.017 160
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
3 -0.07 -0.16 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.017 370
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
4 -0.07 -0.15 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.017 554
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
5 -0.07 -0.15 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.016 581
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
6 -0.07 -0.15 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.016 546
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
7 -0.07 -0.15 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.015 537
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
8 -0.07 -0.15 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.015 532
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
9 -0.07 -0.15 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.014 537
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
10 -0.07 -0.14 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 518
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
11 -0.07 -0.14 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.014 490
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
12 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 463
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
13 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 491
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
14 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 496
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
15 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 502
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
16 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.014 504
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
17 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.014 524
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
18 -0.07 -0.13 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.014 507
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
19 -0.08 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 486
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
20 -0.07 -0.13 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.013 460
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
21 -0.07 -0.13 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.013 507
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
22 -0.07 -0.13 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 494
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
23 -0.07 -0.13 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 499
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
24 -0.08 -0.13 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 465
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
25 -0.08 -0.13 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.013 463
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
26 -0.08 -0.12 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.013 485
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
27 -0.08 -0.12 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 479
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
28 -0.08 -0.12 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 504
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
29 -0.08 -0.12 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.19 0.00 0.00 0.014 503
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
30 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.013 516
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
31 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.014 488
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
32 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.014 493
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
33 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.014 488
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
34 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.014 468
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
35 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.015 456
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
36 -0.08 -0.11 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.20 0.00 0.00 0.015 461
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
37 -0.08 -0.11 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.014 476
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
38 -0.08 -0.10 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.015 461
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
39 -0.08 -0.10 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.016 477
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
40 -0.08 -0.10 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.017 484
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
41 -0.08 -0.10 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.016 496
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
42 -0.08 -0.10 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.015 491
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
43 -0.08 -0.10 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.016 504
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
44 -0.08 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.016 506
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
45 -0.08 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.21 0.00 0.00 0.016 473
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
46 0.00 0.00 0.00 200.1 1.000 -32 7 0.00 0.00 0.030 1.8 1254 1237 4 227 9 15.1 0.0 0.047 26 2.1
47 0.00 0.00 0.00 200.1 1.000 -32 7 0.00 0.00 0.030 1.7 1286 1196 0 225 5 14.4 0.0 0.049 36 5.9
48 0.00 0.00 0.00 200.1 1.000 -32 8 0.00 0.00 0.031 1.7 1183 1143 4 242 11 14.7 0.0 0.011 26 1.7
49 0.00 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.026 1.5 1213 1180 4 229 8 15.0 0.0 0.098 20 2.6
50 0.00 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.030 1.9 1200 1216 3 263 7 14.7 0.0 0.082 38 10.3
51 0.00 0.01 -0.00 200.1 1.000 -32 7 0.00 0.00 0.033 1.9 1233 1281 3 228 7 15.0 0.0 0.073 28 5.7
52 0.00 0.01 -0.00 200.1 1.000 -32 7 0.00 0.00 0.034 1.9 1206 1331 1 243 5 15.1 0.0 0.068 22 13.7
53 0.01 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.029 1.7 1177 1238 3 220 8 15.1 0.0 0.077 28 6.6
54 0.00 0.01 0.00 200.1 1.000 -32 7 0.00 0.00 0.034 1.9 1201 1156 4 254 6 14.0 0.0 0.054 28 3.4
55 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.030 1.9 1197 1206 3 220 5 14.8 0.0 0.052 32 3.8
56 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.027 1.6 1204 1246 3 272 4 14.6 0.0 0.068 24 2.6
57 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.034 1.8 1180 1307 4 237 8 14.8 0.0 0.053 180 9.0
58 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.028 1.6 1203 1316 3 274 2 14.6 0.0 0.050 46 3.7
59 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 1.8 1198 1360 5 269 1 14.7 0.0 0.043 38 3.3
60 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.030 1.7 1145 1420 2 238 4 16.0 0.0 0.041 42 2.3
61 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.030 1.7 1157 1350 1 229 2 15.1 0.0 0.063 17 9.7
62 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.027 1.7 1152 1309 2 231 3 15.2 0.0 0.047 26 5.9
63 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.029 1.7 1159 1304 5 247 6 15.8 0.0 0.049 26 4.1
64 0.00 0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.030 1.7 1150 1298 3 239 6 15.7 0.0 0.034 26 7.7
65 0.00 0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.030 1.7 1160 1291 6 244 8 15.5 0.0 0.021 27 4.1
66 0.00 0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.028 1.7 1177 1312 2 247 2 15.3 0.0 0.046 30 6.7
67 0.00 0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.031 1.9 1118 1366 3 234 4 15.6 0.0 0.047 34 8.0
68 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.032 1.7 1123 1384 2 282 3 15.2 0.0 0.035 22 4.7
69 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.025 1.6 1150 1359 10 204 8 16.5 0.0 0.016 20 1.1
70 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1128 1324 2 237 1 15.7 0.0 0.059 34 11.8
71 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1158 1339 6 246 3 15.6 0.0 0.030 40 3.9
72 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1129 1361 5 251 1 16.1 0.0 0.058 28 3.0
73 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.7 1136 1308 5 210 3 15.8 0.0 0.043 20 2.9
74 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.024 1.6 1148 1307 5 196 4 16.2 0.0 0.036 30 1.8
75 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1161 1312 3 224 3 16.4 0.0 0.038 492 5.9
76 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.024 1.5 1137 1372 2 208 3 16.5 0.0 0.068 39 6.3
77 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1146 1450 3 243 5 16.0 0.0 0.089 26 2.1
78 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.026 1.7 1149 1408 5 213 3 17.0 0.0 0.066 28 12.9
79 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.025 1.5 1152 1377 3 209 4 16.2 0.0 0.035 32 1.9
80 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.025 1.5 1128 1425 1 211 3 16.4 0.0 0.062 26 4.4
81 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.024 1.5 1137 1392 6 245 3 16.3 0.0 0.035 24 8.2
82 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.022 1.4 1143 1292 8 212 7 17.4 0.0 0.101 29 4.4
83 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.022 1.4 1135 1310 9 179 5 17.3 0.0 0.061 36 5.9
84 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.021 1.4 1095 1392 6 189 3 16.5 0.0 0.054 20 15.4
85 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.024 1.5 1183 1420 10 192 9 17.3 0.0 0.041 22 3.0
86 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.022 1.4 1158 1365 5 186 5 17.8 0.0 0.051 24 19.4
87 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.021 1.3 1175 1346 5 190 4 17.7 0.0 0.079 28 10.2
88 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.023 1.4 1103 1341 10 184 6 18.5 0.0 0.050 30 6.0
89 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.020 1.3 1100 1375 10 182 3 18.5 0.0 0.121 36 25.5
90 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.021 1.4 1204 1375 9 182 4 18.4 0.0 0.053 44 2.2
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
46 -0.08 -0.09 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.22 0.00 0.00 0.017 478
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
47 -0.08 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.22 0.00 0.00 0.016 495
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
48 -0.07 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.22 0.00 0.00 0.017 516
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
49 -0.08 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.22 0.00 0.00 0.016 520
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
50 -0.07 -0.09 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.23 0.00 0.00 0.016 524
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
51 -0.07 -0.09 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.23 0.00 0.00 0.016 547
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
52 -0.07 -0.08 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.23 0.00 0.00 0.015 578
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
53 -0.07 -0.08 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.23 0.00 0.00 0.016 603
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
54 -0.07 -0.08 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.23 0.00 0.00 0.016 558
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
55 -0.07 -0.08 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.017 510
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
56 -0.07 -0.08 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.017 481
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
57 -0.07 -0.08 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.018 525
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
58 -0.07 -0.08 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.018 579
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
59 -0.07 -0.08 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.017 597
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
60 -0.07 -0.07 -0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.017 624
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
61 -0.06 -0.07 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 657
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
62 -0.06 -0.07 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 686
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
63 -0.06 -0.07 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 660
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
64 -0.06 -0.06 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 605
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
65 -0.06 -0.06 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 613
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
66 -0.06 -0.06 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 598
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
67 -0.06 -0.06 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 619
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
68 -0.06 -0.05 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 601
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
69 -0.06 -0.05 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 610
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
70 -0.05 -0.05 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 598
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
71 -0.05 -0.05 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 616
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
72 -0.05 -0.05 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 627
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
73 -0.05 -0.04 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.014 591
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
74 -0.05 -0.04 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 562
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
75 -0.05 -0.04 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 569
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
76 -0.05 -0.03 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 567
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
77 -0.04 -0.03 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 618
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
78 -0.04 -0.03 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 657
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
79 -0.04 -0.03 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 675
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
80 -0.04 -0.02 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 675
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
81 -0.04 -0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 653
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
82 -0.04 -0.02 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 658
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
83 -0.03 -0.01 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 620
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
84 -0.03 -0.01 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 612
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
85 -0.03 -0.01 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 672
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
86 -0.03 -0.00 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 726
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
87 -0.02 0.00 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 742
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
88 -0.02 0.01 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 716
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
89 -0.02 0.01 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 693
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
90 -0.02 0.01 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 684
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
91 0.00 0.00 -0.01 200.1 1.000 -35 4 0.00 0.00 0.022 1.4 1152 1402 8 167 0 17.4 0.0 0.047 46 5.2
92 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.3 1097 1431 6 172 4 17.2 0.0 0.061 44 4.0
93 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.3 1088 1362 7 170 3 18.2 0.0 0.023 32 3.2
94 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.3 1145 1374 10 166 6 18.3 0.0 0.049 44 4.8
95 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.4 1208 1383 11 169 6 17.4 0.0 0.024 60 2.6
96 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1154 1314 9 154 2 18.8 0.0 0.077 28 13.8
97 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1031 1376 11 160 7 19.1 0.0 0.027 20 3.9
98 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.2 1206 1442 12 180 3 17.1 0.0 0.021 90 3.5
99 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1143 1364 10 200 3 18.2 0.0 0.026 41 3.4
100 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.4 1092 1268 11 159 5 20.0 0.0 0.041 50 9.8
101 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.3 1228 1334 12 170 6 17.2 0.0 0.046 157 3.1
102 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1149 1387 6 151 1 18.1 0.0 0.033 121 4.5
103 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.2 1115 1334 5 165 5 18.8 0.0 0.032 189 5.6
104 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.024 1.3 1152 1404 16 189 11 18.5 0.0 0.054 427 9.5
105 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.024 1.3 1113 1436 9 172 3 18.9 0.0 0.045 205 7.5
106 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.023 1.3 1093 1371 13 173 2 19.4 0.0 0.037 90 4.9
107 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.024 1.3 1167 1373 13 169 7 18.4 0.0 0.029 102 2.9
108 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.4 1156 1367 10 171 6 18.7 0.0 0.037 70 1.7
109 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.4 1114 1349 9 152 6 19.7 0.0 0.057 49 5.2
110 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.6 1157 1370 12 161 7 18.9 0.0 0.090 64 6.6
111 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.4 1171 1385 13 162 8 19.3 0.0 0.023 38 3.6
112 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.026 1.5 1089 1380 11 163 6 19.7 0.0 0.044 43 6.9
113 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.3 1142 1377 16 167 6 19.1 0.0 0.047 34 4.5
114 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.6 1128 1407 15 169 7 19.6 0.0 0.077 28 4.0
115 0.00 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.027 1.4 1098 1379 14 154 7 20.1 0.0 0.041 28 5.7
116 0.01 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.029 1.6 1168 1391 11 191 7 19.1 0.0 0.033 26 1.9
117 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.4 1108 1428 15 155 8 19.1 0.0 0.061 18 8.1
118 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.029 1.6 1133 1388 9 149 8 19.9 0.0 0.014 8 1.5
119 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.026 1.5 1117 1364 8 171 3 19.5 0.0 0.069 26 9.8
120 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.4 1142 1423 13 190 7 19.4 0.0 0.063 16 8.4
121 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1086 1436 15 170 8 19.0 0.0 0.058 20 7.7
122 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1145 1412 11 162 2 19.4 0.0 0.051 26 7.6
123 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.5 1143 1387 8 185 9 19.5 0.0 0.028 28 5.0
124 0.00 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.029 1.5 1123 1340 11 170 10 18.7 0.0 0.069 28 15.5
125 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.031 1.6 1169 1353 11 160 8 19.6 0.0 0.083 20 18.4
126 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1138 1348 12 143 14 19.9 0.0 0.042 20 13.8
127 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.029 1.5 1151 1325 8 164 4 19.3 0.0 0.041 28 3.1
128 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.5 1143 1401 11 147 9 20.0 0.0 0.044 26 5.7
129 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.029 1.6 1128 1403 15 193 11 19.9 0.0 0.090 32 9.7
130 0.00 0.00 -0.00 200.2 1.000 -35 5 0.00 0.00 0.031 1.6 1125 1376 18 183 15 19.6 0.0 0.038 22 4.6
131 0.00 0.00 -0.00 200.2 1.000 -35 5 0.00 0.00 0.031 1.7 1111 1373 12 160 17 19.6 0.0 0.047 34 4.2
132 0.00 0.00 -0.00 200.1 1.000 -35 5 0.00 0.00 0.029 1.6 1171 1407 13 175 13 19.8 0.0 0.047 26 9.8
133 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.033 2.0 1095 1458 11 178 12 19.3 0.0 0.030 16 9.9
134 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.030 1.8 1101 1430 10 194 8 19.5 0.0 0.058 50 5.3
135 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.029 1.5 1143 1383 11 183 12 20.1 0.0 0.053 40 4.4
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
91 -0.01 0.01 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 658
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
92 -0.01 0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 680
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
93 -0.01 0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 704
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
94 -0.01 0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.013 716
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
95 -0.00 0.03 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.014 727
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
96 -0.00 0.03 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 719
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
97 0.00 0.03 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 724
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
98 0.01 0.03 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 739
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
99 0.01 0.04 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 738
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
100 0.01 0.04 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 743
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
101 0.02 0.04 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 668
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
102 0.02 0.05 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 692
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
103 0.02 0.05 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 685
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
104 0.03 0.05 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 729
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
105 0.03 0.05 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.015 718
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
106 0.03 0.06 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 721
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
107 0.03 0.06 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 725
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
108 0.03 0.06 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 727
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
109 0.04 0.06 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 727
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
110 0.04 0.07 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 737
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
111 0.05 0.07 -0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 740
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
112 0.05 0.07 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 731
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
113 0.05 0.07 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 759
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
114 0.05 0.08 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 754
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
115 0.06 0.07 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 761
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
116 0.06 0.08 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 717
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
117 0.07 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.018 722
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
118 0.07 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 745
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
119 0.07 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 751
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
120 0.08 0.08 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 753
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
121 0.08 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.016 749
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
122 0.08 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 779
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
123 0.08 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 796
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
124 0.09 0.08 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 780
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
125 0.09 0.09 0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.26 0.00 0.00 0.017 755
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
126 0.09 0.09 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 734
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
127 0.10 0.08 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 703
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
128 0.10 0.09 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 704
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
129 0.11 0.09 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 716
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
130 0.11 0.09 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 722
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
131 0.11 0.08 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 707
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
132 0.12 0.08 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 682
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
133 0.12 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 712
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
134 0.12 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 749
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
135 0.13 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 735
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
136 0.01 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.029 1.6 1109 1378 17 184 8 20.7 0.0 0.028 32 4.9
137 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.029 1.6 1142 1367 16 166 12 20.7 0.0 0.049 63 4.6
138 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.029 1.6 1152 1367 12 154 9 19.9 0.0 0.028 54 6.3
139 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.030 1.7 1135 1343 9 157 17 20.8 0.0 0.056 22 5.3
140 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.030 1.5 1192 1287 9 155 9 20.1 0.0 0.032 34 2.7
141 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.031 1.7 1170 1285 11 143 17 20.9 0.0 0.052 38 8.0
142 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.027 1.5 1184 1316 10 140 12 20.6 0.0 0.034 44 5.9
143 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.028 1.5 1141 1332 12 136 11 20.1 0.0 0.056 38 6.1
144 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.028 1.6 1186 1300 7 157 12 20.6 0.0 0.051 32 6.5
145 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.029 1.7 1155 1304 16 177 8 19.8 0.0 0.032 32 6.0
146 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.4 1192 1309 8 160 9 20.8 0.0 0.055 58 8.4
147 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1114 1347 8 156 8 20.4 0.0 0.023 28 8.2
148 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.028 1.5 1174 1342 7 176 11 19.8 0.0 0.046 44 7.8
149 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1174 1301 10 152 9 20.7 0.0 0.030 24 3.4
150 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.025 1.5 1129 1328 14 190 9 20.1 0.0 0.060 30 9.8
151 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1135 1389 9 191 5 19.7 0.0 0.052 20 10.7
152 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.025 1.4 1158 1372 15 162 7 20.0 0.0 0.060 42 13.1
153 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1169 1276 6 190 7 18.8 0.0 0.029 44 4.2
154 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.5 1206 1305 8 193 5 19.7 0.0 0.030 46 5.3
155 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.4 1132 1359 6 195 12 19.2 0.0 0.047 40 12.0
156 0.00 0.00 -0.00 200.0 1.000 -34 4 0.00 0.00 0.025 1.4 1136 1358 10 213 6 19.3 0.0 0.044 56 6.4
157 0.00 0.00 -0.00 200.0 1.000 -34 4 0.00 0.00 0.026 1.4 1162 1347 3 220 12 18.7 0.0 0.042 47 6.7
158 0.00 0.00 -0.00 200.0 1.000 -34 4 0.00 0.00 0.029 1.5 1156 1302 11 193 13 19.2 0.0 0.031 38 3.6
159 0.00 -0.01 -0.00 200.0 1.000 -34 3 0.00 0.00 0.026 1.5 1208 1283 10 200 7 18.5 0.0 0.033 40 3.5
160 0.00 -0.01 -0.00 200.0 1.000 -34 4 0.00 0.00 0.029 1.6 1144 1351 6 212 6 19.0 0.0 0.042 26 3.4
161 0.00 0.00 -0.00 200.0 1.000 -34 3 0.00 0.00 0.026 1.6 1161 1330 9 210 8 19.0 0.0 0.044 31 8.2
162 0.00 -0.01 -0.00 200.0 1.000 -34 3 0.00 0.00 0.024 1.4 1201 1289 6 187 5 18.9 0.0 0.038 42 6.3
163 0.00 -0.01 -0.00 200.0 1.000 -34 3 0.00 0.00 0.024 1.4 1167 1287 9 228 6 17.6 0.0 0.026 28 2.8
164 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.024 1.5 1152 1352 5 207 3 18.7 0.0 0.023 40 3.7
165 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.025 1.6 1172 1361 7 206 3 18.7 0.0 0.021 38 4.0
166 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.027 1.5 1130 1364 5 209 8 18.5 0.0 0.044 40 6.5
167 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.021 1.4 1181 1331 5 204 3 18.9 0.0 0.026 58 4.4
168 0.00 -0.01 -0.00 200.0 1.000 -33 2 0.00 0.00 0.026 1.6 1183 1294 3 216 2 17.8 0.0 0.039 45 2.8
169 0.00 -0.01 -0.00 200.0 1.000 -33 2 0.00 0.00 0.024 1.6 1160 1353 11 237 2 18.5 0.0 0.053 43 6.9
170 0.00 -0.01 -0.00 200.0 1.000 -33 2 0.00 0.00 0.026 1.6 1141 1369 9 250 8 18.1 0.0 0.033 48 3.8
171 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.025 1.5 1156 1342 5 196 4 17.4 0.0 0.034 34 2.0
172 0.00 -0.02 -0.00 199.9 1.000 -33 2 0.00 0.00 0.025 1.6 1117 1389 8 208 3 17.1 0.0 0.047 46 9.9
173 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.028 1.5 1112 1408 8 235 6 17.6 0.0 0.049 53 2.5
174 0.00 -0.02 -0.00 199.9 1.000 -33 2 0.00 0.00 0.028 1.9 1140 1383 4 218 4 17.7 0.0 0.037 52 3.2
175 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.027 1.7 1156 1332 6 230 4 17.0 0.0 0.045 58 6.8
176 0.00 -0.01 -0.00 199.9 1.000 -32 2 0.00 0.00 0.027 1.8 1173 1336 4 230 1 16.8 0.0 0.044 44 4.9
177 0.00 -0.01 -0.00 199.9 1.000 -32 2 0.00 0.00 0.025 1.6 1141 1351 12 234 2 16.4 0.0 0.035 39 9.0
178 0.00 -0.02 -0.00 199.9 1.000 -32 2 0.00 0.00 0.026 1.6 1161 1316 3 226 2 16.0 0.0 0.092 34 11.9
179 0.00 -0.02 -0.00 199.9 1.000 -32 2 0.00 0.00 0.029 1.7 1202 1265 9 210 0 16.7 0.0 0.042 45 4.0
180 0.00 -0.01 -0.01 199.9 1.000 -32 2 0.00 0.00 0.029 1.8 1177 1308 4 247 5 16.1 0.0 0.058 37 12.9
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
136 0.13 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 705
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
137 0.13 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 678
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
138 0.14 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 714
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
139 0.14 0.08 0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 737
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
140 0.15 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 725
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
141 0.15 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 710
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
142 0.15 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 672
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
143 0.15 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 704
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
144 0.16 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 701
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
145 0.16 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 694
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
146 0.17 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 685
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
147 0.17 0.07 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.018 679
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
148 0.17 0.07 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 705
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
149 0.18 0.07 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 681
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
150 0.18 0.07 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 669
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
151 0.18 0.07 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 645
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
152 0.19 0.06 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 674
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
153 0.19 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 708
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
154 0.20 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 707
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
155 0.20 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 694
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
156 0.20 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 663
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
157 0.20 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 662
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
158 0.21 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 659
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
159 0.21 0.05 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 634
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
160 0.21 0.05 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 628
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
161 0.22 0.05 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 614
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
162 0.22 0.04 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 639
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
163 0.22 0.04 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 612
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
164 0.23 0.04 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 597
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
165 0.23 0.04 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 593
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
166 0.23 0.04 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 630
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
167 0.24 0.03 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 657
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
168 0.24 0.03 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 638
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
169 0.24 0.03 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 606
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
170 0.25 0.03 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 573
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
171 0.25 0.02 0.05 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 585
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
172 0.25 0.02 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 612
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
173 0.26 0.02 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 646
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
174 0.26 0.01 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 636
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
175 0.26 0.01 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 612
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
176 0.26 0.01 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.018 584
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
177 0.27 0.00 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.017 599
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
178 0.27 -0.00 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.018 587
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
179 0.27 -0.00 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.018 600
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
180 0.28 -0.00 0.06 78.77 78.77 36.92 90.00 90.00 90.00 0.24 0.00 0.00 0.019 570
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** Warning messages ***
There are no SERIOUS problems.
*** PROBLEMS WORTH CONSIDERING ***
==================================
The following warnings suggest that the processing might be improved
if appropriate action is taken.
LARGE WEIGHTED RESIDUAL
=======================
The weighted residual is rather large (it should be unity, actual maximum value 2.49).
This is usually due to poor cell parameters..check these and possibly try post-refinement
EXCESSIVE NUMBER OF BADSPOTS
============================
At least some images have rather a lot of badspots (Maximum number 23)
They are rejected on the basis of:
1) Poor profile fit (PKRATIO >3, controlled by REJECTION PKRATIO).
2) Too large a BGRATIO (too much background variation, controlled by
REJECTION BGRATIO).
3) Too large a background gradient (controlled by REJECTION GRADMAX)
4) Intensity negative and more than 5 sigma.
Look at the list of badspots to see what category they fall under.
Not defining the backstop shadow can give large background plane gradients.
Very intense images can have unusually large gradients, GRADMAX may have to
be changed from the default
A pixel dump of the BADSPOTS can be obtained using REJECTION PLOT
if the reason for their rejection is not clear
POOR PROFILES IN SOME AREAS
===========================
For 18 profiles the correlation coefficient with the central profile is less than 0.5.
Smallest correlation coefficient is 0.18
Possible reasons are:
1) Very weak diffraction (consider cutting back the resolution)
2) Errors in cell parameters (check DELX, DELY for the standard profiles).
3) Genuine variation due to high obliquity (for example).
4) Presence of zingers or spots from an ice or salt crystal which are much
stronger than the protein spots. Sometimes these can be rejected using
the PROFILE CUTOFF keywords.
A low correlation does NOT necessarily mean that the processing needs to be changed.
The image number, profile box number and correlation coefficient for
up to the first 6 occurences are:
ID BOX CORRLN ID BOX CORRLN ID BOX CORRLN ID BOX CORRLN
1 1 0.49 1 5 0.45 1 6 0.35 1 10 0.27
1 11 0.30 1 15 0.22
*** THE FOLLOWING ARE MAINLY FOR INFORMATION ***
================================================
In some cases it may be possible to change the processing to eliminate
some of these warnings.
SPOT OVERLAP
============
Adjacent spots overlap. This will produce systematic errors in the intensities.
Note that this warning will arise even if only one pair of spots in
one area of the detector overlap. Look at the standard profiles to see how
serious the overlap is.
The minimum allowed spot separation (SEPARATION keyword) was 0.7 0.7mm.
The actual spot size determined by the mask optimisation is 0.7 by 0.7mm
in the centre of the image and the largest spot size is 1.3 by 1.7mm.
The separation given should be at least as large as the spot size
in the centre of the image (keyword SEPARATION).
Check standard profiles carefully to ensure that the optimisation of the
raster parameters has worked correctly.
The effective size of the spots can be controlled by PROFILE TOLERANCE
keywords. If the peak regions look too large (ie they include too much of the
tails of the spot), try increasing TOLERANCE (current value 0.030) by
eg 0.005 and see if profiles look better.
(Increasing TOLERANCE will decrease spot size).
As a last resort the profile optimisation can be turned off using keywords
PROFILE NOOPT.
In cases of serious overlap, (ie if the pattern is very dense), then the
SEPARATION CLOSE option should be used (eg SEPARATION 1.0 1.0 CLOSE)
and it may also help to suppress profile optimisation in these cases
(PROFILE NOOPT)keyword. See help library for details.
AVERAGING OF STANDARD PROFILES
==============================
Profile averaging has been performed for some of the standard profiles.
This is because reflections in some regions of the detector are too weak to form reliable profiles,
so reflections from adjacent regions are being included
This is acceptable for outer profiles, but if innerprofiles are being averaged
then the resolution limit is probably set too high.
BROAD PROFILES
==============
At least some of the standard profiles have rather long tails
Percentage of peak pixels with values less than 5% of maximum value is 37.8
This may be genuine, but may also arise if there is significant diffuse
scatter which is (incorrectly) being included in the Bragg peak.
Check the profiles carefully and also inspect the images.
If the optimisation of the measurement boxes is making the profiles too broad
(eg a significant number of "0" in the peak regions of the printed profiles)
then the effective size of the spots can be controlled by PROFILE TOLERANCE
keywords.
Try increasing TOLERANCE (current value 0.030) by eg 0.005 and see if the
profiles look better. (Increasing TOLERANCE will decrease spot size).
STANDARD PROFILES SEEM TO EXTEND WELL BEYOND PEAK AREA
======================================================
For 1 of the standard profiles, there is more than 10% of the total
counts in the profile outside the peak region.
Examine the printout of the standard profiles (in the logfile)
This can be a result of rather noisy profiles (weak data) or
poor profile optimisation. As a last resort
it can be turned off using keywords PROFILE NOOPT.
If this does not help, try turning off the
weighting when forming the standard profiles (PROFILE NOWSUM)
The following profiles are affected
14
The fraction of the profile outside the peak for these profile is given below
0.10
Refined detector parameters:
Post refinement:
Elven plots: