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 1.2A)
1 -0.02 0.00 0.00 200.3 1.000 -35 0 0.00 0.00 0.031 2.1 1129 1383 12 165 22 21.7 1.6 0.040 27 6.3
2 -0.02 0.00 0.00 200.3 1.000 -35 -1 0.00 0.00 0.032 2.1 1146 1372 15 138 16 21.8 2.0 0.057 32 4.4
3 -0.02 0.00 0.00 200.3 1.000 -34 0 0.00 0.00 0.033 2.3 1270 1034 13 96 12 20.3 1.3 0.025 52 3.9
4 -0.01 0.00 0.00 200.3 1.000 -34 2 0.00 0.00 0.033 2.3 1316 1022 11 92 7 20.4 1.0 0.045 42 5.1
5 -0.01 0.00 -0.00 200.3 1.000 -34 2 0.00 0.00 0.036 2.5 1322 1017 12 95 14 20.6 1.5 0.036 46 6.6
6 -0.01 0.00 -0.00 200.2 1.000 -34 2 0.00 0.00 0.034 2.3 1320 1037 8 133 14 20.1 1.0 0.022 44 5.7
7 -0.01 0.00 -0.00 200.2 1.000 -34 1 0.00 0.00 0.034 2.4 1298 1034 13 115 7 19.8 1.2 0.031 61 7.2
8 -0.01 0.00 0.00 200.2 1.000 -34 2 0.00 0.00 0.032 2.2 1331 997 5 123 14 19.0 1.1 0.021 38 5.2
9 0.00 0.00 0.00 200.2 1.000 -34 2 0.00 0.00 0.032 2.3 1315 988 6 143 10 18.1 0.6 0.062 56 7.6
10 0.00 0.00 0.00 200.2 1.000 -34 2 0.00 0.00 0.033 2.4 1315 1010 3 142 15 18.3 1.6 0.041 58 5.6
11 -0.01 0.00 -0.00 200.2 1.000 -34 2 0.00 0.00 0.034 2.3 1315 1002 9 143 11 18.6 1.0 0.048 60 4.7
12 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.5 1327 987 6 130 7 17.4 1.2 0.041 93 3.7
13 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.034 2.2 1314 1012 5 133 11 17.9 1.4 0.042 61 3.4
14 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.033 2.5 1295 1012 7 155 5 18.4 0.6 0.040 117 5.4
15 -0.01 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.033 2.3 1320 989 5 134 3 18.3 0.5 0.027 143 3.5
16 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.034 2.4 1333 1026 6 160 10 18.3 0.6 0.039 175 6.7
17 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.034 2.3 1318 1008 11 154 7 17.7 1.7 0.046 324 5.2
18 -0.01 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.034 2.3 1336 975 6 139 7 18.1 0.6 0.045 552 7.2
19 -0.02 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.035 2.2 1318 1010 6 145 10 17.2 0.6 0.038 293 4.6
20 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.035 2.4 1273 1054 11 147 9 17.8 0.6 0.063 169 9.7
21 -0.02 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.032 2.1 1343 1051 6 154 17 17.7 0.3 0.043 145 5.8
22 -0.03 0.01 -0.00 200.2 1.000 -33 3 0.00 0.00 0.032 2.2 1281 1016 4 163 7 16.4 0.6 0.048 103 4.6
23 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.032 2.2 1320 994 6 165 9 17.6 0.5 0.041 75 5.2
24 0.00 0.00 -0.00 200.2 1.000 -33 3 0.00 0.00 0.030 2.1 1306 1024 7 152 5 17.1 0.8 0.063 80 6.5
25 0.00 0.00 -0.00 200.2 1.000 -33 4 0.00 0.00 0.031 2.3 1308 1064 10 150 10 17.6 0.7 0.025 52 4.3
26 -0.01 0.01 -0.00 200.2 1.000 -34 3 0.00 0.00 0.033 2.2 1282 1043 6 162 10 17.1 1.1 0.044 46 3.6
27 -0.01 0.01 -0.00 200.1 1.000 -34 3 0.00 0.00 0.031 2.2 1322 1085 7 189 4 16.1 0.5 0.031 56 1.9
28 0.00 0.00 -0.00 200.1 1.000 -33 3 0.00 0.00 0.031 2.2 1231 1094 7 158 5 17.4 0.2 0.035 30 4.6
29 0.00 0.00 -0.00 200.1 1.000 -33 4 0.00 0.00 0.030 2.3 1346 1024 5 152 7 17.0 0.9 0.044 52 2.6
30 0.00 0.00 -0.00 200.1 1.000 -33 4 0.00 0.00 0.032 2.3 1357 987 1 168 5 14.8 0.7 0.036 53 1.7
31 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.031 2.4 1237 1035 3 167 3 16.6 1.9 0.047 44 9.9
32 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.032 2.3 1257 1107 6 171 4 15.6 0.8 0.026 36 2.7
33 0.00 0.00 0.00 200.1 1.000 -33 5 0.00 0.00 0.030 2.0 1382 1044 6 195 5 15.2 0.5 0.080 34 1.4
34 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.030 2.0 1212 1022 3 182 3 16.2 0.5 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 1297 1118 4 208 5 15.3 0.4 0.075 52 1.0
36 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.031 2.1 1339 1082 2 206 3 14.8 1.1 0.064 48 5.1
37 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.031 2.2 1203 1047 7 188 4 16.5 0.7 0.041 42 1.1
38 0.00 0.00 0.00 200.1 1.000 -33 6 0.00 0.00 0.031 2.1 1259 1178 2 209 4 14.9 0.5 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 1312 1173 2 218 7 14.6 0.1 0.061 38 0.7
40 0.00 0.00 -0.00 200.1 1.000 -33 7 0.00 0.00 0.030 2.0 1198 1094 5 215 7 16.6 0.6 0.064 30 4.1
41 0.00 0.00 -0.00 200.1 1.000 -33 7 0.00 0.00 0.032 2.2 1263 1136 4 179 4 15.7 0.5 0.064 20 1.6
42 0.00 0.01 -0.00 200.1 1.000 -33 7 0.00 0.00 0.032 2.2 1266 1185 4 196 3 16.5 0.7 0.035 38 8.8
43 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 2.1 1256 1183 7 223 5 15.2 0.6 0.061 40 1.6
44 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.033 2.4 1198 1145 4 222 12 16.0 0.7 0.043 32 6.0
45 0.00 0.00 -0.00 200.1 1.000 -32 7 0.00 0.00 0.031 2.3 1205 1187 6 223 7 15.5 0.5 0.093 26 1.9
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) 0.251 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 0.018 162
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 0.017 372
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 0.017 556
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 0.016 584
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
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 0.016 549
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 0.016 543
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 0.19 0.00 0.00 0.015 534
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 0.014 540
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 0.013 520
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
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 0.014 492
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 0.013 465
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
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 0.013 493
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
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 0.013 500
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 0.013 504
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
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 0.014 505
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 0.014 526
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 0.014 508
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 -0.07 -0.14 -0.00 78.77 78.77 36.92 90.00 90.00 90.00 0.18 0.00 0.00 0.013 487
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 0.013 459
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 0.014 510
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
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 0.014 497
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 0.014 460
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
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 0.013 459
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 0.014 480
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 0.014 507
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
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 0.014 502
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
30 -0.08 -0.11 -0.00 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 0.014 487
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 0.014 496
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
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 0.014 492
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 0.015 472
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 0.015 458
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 0.014 463
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
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 0.014 478
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
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 0.015 460
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
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 0.016 476
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
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 0.017 485
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
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 0.016 498
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 0.015 493
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
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 0.016 505
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 0.016 505
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 0.016 474
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 1.2A)
46 0.00 0.00 0.00 200.1 1.000 -33 7 0.00 0.00 0.030 1.8 1253 1237 4 224 4 14.7 0.5 0.049 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 0 221 3 14.1 0.7 0.050 36 6.0
48 0.00 0.00 0.00 200.1 1.000 -32 8 0.00 0.00 0.030 1.6 1183 1143 4 238 7 14.3 0.4 0.011 26 1.5
49 0.00 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.026 1.6 1213 1181 4 232 5 14.5 0.4 0.067 22 7.3
50 0.00 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.030 1.8 1200 1216 3 266 5 14.5 0.2 0.083 38 10.3
51 0.00 0.00 -0.00 200.1 1.000 -32 7 0.00 0.00 0.032 1.8 1233 1281 3 230 6 14.6 0.5 0.075 28 5.8
52 0.00 0.00 -0.00 200.1 1.000 -32 7 0.00 0.00 0.034 1.9 1206 1331 1 241 4 14.8 0.9 0.070 22 13.6
53 0.01 0.00 -0.00 200.1 1.000 -32 8 0.00 0.00 0.029 1.7 1175 1238 3 217 4 14.7 0.6 0.076 28 6.1
54 0.00 0.01 0.00 200.1 1.000 -32 6 0.00 0.00 0.034 1.8 1202 1156 4 259 6 13.6 1.3 0.059 28 3.9
55 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 1.8 1197 1206 3 223 3 14.4 0.6 0.051 32 3.7
56 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.028 1.6 1205 1245 3 265 2 14.2 0.3 0.068 26 2.7
57 0.00 0.00 -0.00 200.1 1.000 -33 6 0.00 0.00 0.034 1.8 1177 1313 4 241 5 14.5 0.4 0.065 180 11.0
58 0.00 0.00 -0.00 200.1 1.000 -33 5 0.00 0.00 0.027 1.6 1203 1317 3 269 2 14.3 0.7 0.053 46 3.9
59 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 1.7 1198 1363 5 273 1 14.4 0.3 0.042 40 3.1
60 0.00 0.01 -0.00 200.1 1.000 -33 6 0.00 0.00 0.029 1.7 1146 1420 2 238 3 15.7 0.6 0.042 42 2.4
61 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.029 1.6 1157 1348 1 227 2 14.8 0.7 0.061 17 9.5
62 0.00 0.01 -0.00 200.1 1.000 -33 5 0.00 0.00 0.027 1.7 1152 1309 2 232 3 14.8 1.1 0.046 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 1305 5 253 4 15.4 1.2 0.033 26 2.1
64 0.00 0.01 -0.00 200.1 1.000 -33 4 0.00 0.00 0.030 1.7 1150 1298 3 237 4 15.3 0.9 0.036 26 8.0
65 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.030 1.7 1159 1290 6 238 6 15.1 0.7 0.021 27 4.2
66 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.028 1.7 1176 1314 2 246 1 14.9 0.2 0.046 30 6.6
67 0.00 0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.030 1.9 1118 1367 3 229 2 15.3 1.0 0.048 34 8.1
68 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.030 1.7 1122 1388 2 282 2 14.8 0.8 0.036 22 4.8
69 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1150 1359 10 207 6 16.1 0.9 0.018 20 1.2
70 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.025 1.6 1128 1325 2 239 1 15.4 0.4 0.060 34 12.0
71 0.00 0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.028 1.6 1157 1340 6 242 3 15.3 0.3 0.027 40 3.0
72 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.6 1129 1363 5 250 0 15.8 0.3 0.059 28 3.1
73 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.026 1.6 1136 1309 5 206 1 15.4 0.9 0.043 20 2.8
74 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.024 1.5 1146 1309 5 192 3 15.9 0.9 0.036 30 1.8
75 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.7 1162 1311 3 227 3 16.1 1.2 0.041 494 6.2
76 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.024 1.5 1137 1370 2 212 2 16.1 0.2 0.069 39 6.3
77 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.026 1.6 1147 1449 3 245 3 15.7 0.6 0.099 28 11.7
78 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.026 1.6 1149 1408 5 215 2 16.7 0.7 0.068 28 12.9
79 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.025 1.5 1151 1377 3 210 4 15.9 1.1 0.035 32 2.0
80 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.025 1.4 1128 1425 1 209 1 16.0 0.8 0.062 26 4.4
81 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.024 1.5 1137 1393 6 247 2 16.0 1.0 0.025 24 5.5
82 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.022 1.4 1143 1293 8 214 6 17.0 1.0 0.098 29 3.9
83 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.022 1.4 1135 1311 9 180 2 16.9 1.4 0.061 36 5.9
84 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.021 1.3 1095 1392 6 191 2 16.2 0.5 0.059 20 16.5
85 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.024 1.5 1183 1420 10 188 4 17.0 1.1 0.039 22 3.0
86 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.022 1.4 1158 1364 5 183 4 17.4 1.2 0.035 24 10.7
87 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.021 1.4 1175 1347 5 187 3 17.4 2.0 0.080 28 10.1
88 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.023 1.3 1103 1340 10 187 4 18.2 1.1 0.050 30 6.0
89 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.020 1.3 1100 1374 10 183 2 18.1 1.8 0.121 36 24.6
90 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.022 1.4 1204 1375 9 183 4 18.0 1.6 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 0.016 498
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 0.017 515
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 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.22 0.00 0.00 0.016 518
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
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 0.016 521
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 0.016 546
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
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 0.015 579
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
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 0.016 604
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 0.016 559
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 0.017 479
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
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 0.018 522
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 0.018 577
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 0.017 598
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
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 0.017 625
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 0.016 656
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 0.017 687
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 -0.07 -0.07 -0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 663
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
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 0.017 609
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 0.016 615
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 0.016 600
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
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 0.015 620
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
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 0.015 603
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
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 0.015 609
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 0.016 600
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
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 0.016 617
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 0.015 629
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 0.014 589
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 0.015 559
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 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.015 566
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 -0.04 -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 0.014 658
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
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 0.013 674
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
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 0.014 654
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 0.014 622
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 0.014 613
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
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 0.014 673
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 0.014 724
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
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 0.013 739
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
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 0.013 713
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 0.013 692
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
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 0.013 683
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 1.2A)
91 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.022 1.4 1152 1402 8 159 0 17.4 1.8 0.047 46 5.2
92 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.3 1097 1430 6 173 4 17.2 1.7 0.060 44 4.0
93 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.3 1088 1362 7 173 3 18.2 1.9 0.022 32 3.0
94 0.00 0.00 -0.00 200.2 1.000 -36 4 0.00 0.00 0.021 1.4 1145 1375 10 165 6 18.3 1.7 0.047 44 4.7
95 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.023 1.4 1207 1383 11 171 8 17.4 1.1 0.025 60 2.9
96 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.3 1154 1314 9 152 2 18.8 1.3 0.077 28 13.9
97 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1031 1376 11 157 7 19.1 2.3 0.027 20 3.9
98 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.021 1.1 1206 1442 12 179 4 17.1 0.3 0.037 88 3.4
99 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.022 1.3 1144 1362 10 201 3 18.2 1.5 0.027 41 3.5
100 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.4 1092 1268 11 161 5 20.0 2.5 0.041 50 9.8
101 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.3 1228 1333 12 172 6 17.2 1.3 0.047 157 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 6 150 1 18.1 2.0 0.033 121 4.5
103 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.020 1.2 1115 1334 5 164 5 18.8 2.8 0.033 189 5.7
104 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.023 1.3 1152 1403 16 191 11 18.5 2.8 0.055 427 9.6
105 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.3 1113 1436 9 172 3 18.9 2.5 0.046 205 7.6
106 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.024 1.3 1093 1371 13 171 2 19.3 1.4 0.037 90 4.9
107 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.023 1.3 1167 1373 13 170 7 18.4 3.6 0.028 102 2.7
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 1.4 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 0.6 0.058 49 5.3
110 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.6 1157 1370 12 164 7 18.9 2.4 0.087 64 6.4
111 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.025 1.4 1171 1386 13 164 7 19.3 1.1 0.025 38 4.1
112 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.5 1090 1379 11 163 6 19.7 2.4 0.044 43 6.9
113 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.024 1.3 1144 1376 16 170 6 19.1 2.4 0.048 34 4.5
114 0.00 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.025 1.6 1128 1405 15 168 7 19.6 2.0 0.076 28 4.0
115 0.00 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.027 1.5 1099 1379 14 150 7 20.1 2.4 0.039 28 5.1
116 0.01 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.029 1.6 1168 1390 11 190 7 19.1 1.6 0.032 26 1.9
117 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.026 1.4 1109 1427 15 157 9 19.1 1.4 0.057 18 7.6
118 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.029 1.6 1133 1388 9 147 8 19.9 1.8 0.013 8 1.4
119 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.5 1117 1363 8 168 4 19.5 1.3 0.069 26 9.7
120 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.6 1143 1422 13 190 7 19.4 0.9 0.064 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 15 171 9 19.0 1.6 0.057 20 7.5
122 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1146 1411 11 163 3 19.4 2.3 0.051 26 7.5
123 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.027 1.5 1141 1388 8 184 8 19.5 1.5 0.028 28 5.0
124 0.00 0.00 -0.00 200.2 1.000 -35 3 0.00 0.00 0.028 1.5 1123 1341 11 172 10 18.7 1.7 0.070 28 15.8
125 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.031 1.6 1170 1352 11 159 9 19.6 1.4 0.085 20 18.8
126 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1139 1347 12 150 12 19.9 1.6 0.042 20 13.5
127 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.5 1151 1325 8 163 4 19.3 2.1 0.040 28 3.1
128 0.01 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.028 1.4 1143 1400 11 144 9 20.0 1.3 0.045 26 5.7
129 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.030 1.7 1130 1400 15 192 12 20.0 1.6 0.090 32 9.8
130 0.00 0.00 -0.00 200.2 1.000 -35 4 0.00 0.00 0.030 1.6 1126 1374 18 182 16 19.6 1.2 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 1109 1375 12 165 15 19.6 0.8 0.044 34 3.7
132 0.00 0.00 -0.00 200.1 1.000 -35 5 0.00 0.00 0.029 1.6 1171 1407 13 177 13 19.8 2.8 0.049 26 10.1
133 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.033 2.0 1097 1456 11 177 15 19.3 2.1 0.034 16 10.6
134 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.030 1.8 1101 1429 10 189 8 19.5 1.7 0.056 50 5.1
135 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.029 1.6 1146 1383 11 185 13 20.1 2.3 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 0.013 657
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
92 -0.01 0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.013 679
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
93 -0.01 0.02 -0.02 78.77 78.77 36.92 90.00 90.00 90.00 0.25 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 0.014 725
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
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 0.015 718
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
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 0.015 723
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 0.015 740
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
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 0.015 742
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
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 0.016 667
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 0.016 691
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 0.015 728
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 0.015 717
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
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 0.016 724
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
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 0.016 728
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 0.016 741
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 0.016 743
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
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 0.016 733
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 0.017 716
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
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 0.017 721
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
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 0.017 744
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 0.016 748
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 0.018 777
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 0.017 795
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 0.017 754
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
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 0.016 704
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
128 0.10 0.08 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 705
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
129 0.10 0.09 0.01 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.017 718
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
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 0.018 724
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
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 0.018 709
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 0.018 681
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
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 0.017 711
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 0.017 748
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 1.2A)
136 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.029 1.6 1109 1377 17 186 9 20.8 1.9 0.029 32 5.1
137 0.00 0.00 -0.00 200.1 1.000 -35 4 0.00 0.00 0.029 1.6 1142 1368 16 165 12 20.7 2.0 0.044 63 3.9
138 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.029 1.6 1152 1368 12 154 10 19.9 1.9 0.028 54 6.2
139 0.00 0.00 -0.00 200.1 1.000 -35 3 0.00 0.00 0.030 1.7 1135 1342 9 159 17 20.8 1.3 0.055 22 5.3
140 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.030 1.6 1191 1287 9 155 9 20.1 0.9 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 2.3 0.053 38 8.2
142 0.00 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.027 1.5 1184 1316 10 141 12 20.6 2.5 0.036 44 6.1
143 0.01 0.00 -0.00 200.1 1.000 -34 3 0.00 0.00 0.028 1.6 1140 1334 12 136 11 20.1 1.6 0.056 38 6.0
144 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.028 1.6 1188 1300 7 156 12 20.6 1.6 0.049 32 6.3
145 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.029 1.7 1154 1305 16 178 9 19.8 1.4 0.034 30 4.5
146 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.4 1192 1311 8 161 9 20.8 1.7 0.057 58 8.4
147 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.4 1113 1349 8 155 8 20.5 1.4 0.023 28 8.3
148 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1174 1342 7 179 11 19.8 0.8 0.042 44 7.4
149 0.00 0.00 -0.00 200.1 1.000 -34 5 0.00 0.00 0.028 1.6 1173 1305 10 159 10 20.7 1.3 0.034 24 4.0
150 0.00 0.00 -0.00 200.1 1.000 -34 5 0.00 0.00 0.026 1.5 1128 1332 14 191 10 20.1 1.6 0.060 30 9.8
151 0.00 -0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.027 1.5 1136 1388 9 194 6 19.7 0.8 0.057 20 12.2
152 0.00 0.00 -0.00 200.1 1.000 -34 5 0.00 0.00 0.025 1.4 1159 1371 15 160 7 20.0 1.4 0.061 42 13.3
153 0.00 0.00 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.4 1169 1276 6 193 7 18.8 3.2 0.029 44 4.2
154 0.00 -0.01 -0.00 200.1 1.000 -34 4 0.00 0.00 0.026 1.5 1205 1308 8 198 6 19.7 0.8 0.030 46 5.3
155 0.00 -0.01 -0.00 200.1 1.000 -34 5 0.00 0.00 0.027 1.4 1132 1359 6 196 13 19.1 1.6 0.047 40 12.1
156 0.00 0.00 -0.00 200.0 1.000 -34 4 0.00 0.00 0.025 1.4 1136 1359 10 215 6 19.3 1.9 0.043 56 6.0
157 0.00 -0.01 -0.00 200.0 1.000 -34 4 0.00 0.00 0.026 1.4 1163 1348 3 222 12 18.7 0.8 0.042 47 6.7
158 0.00 0.00 -0.00 200.0 1.000 -34 3 0.00 0.00 0.028 1.5 1154 1304 11 192 12 19.2 0.7 0.035 38 3.9
159 0.00 -0.01 -0.00 200.0 1.000 -34 3 0.00 0.00 0.024 1.4 1207 1284 10 200 6 18.5 1.1 0.049 42 7.6
160 0.00 -0.01 -0.00 200.0 1.000 -34 4 0.00 0.00 0.029 1.6 1140 1355 6 210 5 19.0 0.4 0.042 26 3.4
161 0.00 0.00 -0.00 200.0 1.000 -34 3 0.00 0.00 0.025 1.6 1160 1331 9 210 7 19.0 0.3 0.040 31 7.7
162 0.00 -0.01 -0.00 200.0 1.000 -34 3 0.00 0.00 0.024 1.4 1201 1289 6 189 4 18.9 1.0 0.037 42 6.2
163 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.024 1.4 1167 1287 9 226 5 17.6 1.2 0.027 28 2.9
164 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.025 1.5 1150 1355 5 213 3 18.7 0.7 0.019 40 3.3
165 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.025 1.6 1172 1360 7 206 3 18.7 1.2 0.023 38 4.9
166 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.027 1.6 1130 1364 5 207 8 18.5 1.6 0.044 40 6.5
167 0.00 -0.01 -0.00 200.0 1.000 -33 3 0.00 0.00 0.021 1.3 1181 1330 5 205 3 18.9 1.0 0.029 58 5.3
168 0.00 -0.01 -0.00 200.0 1.000 -33 2 0.00 0.00 0.027 1.7 1184 1290 3 214 1 17.8 1.0 0.039 45 2.9
169 0.00 -0.01 -0.00 200.0 1.000 -33 2 0.00 0.00 0.024 1.5 1160 1352 11 236 2 18.5 1.0 0.052 43 6.9
170 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.026 1.6 1140 1368 9 246 8 18.2 0.7 0.034 48 4.0
171 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.025 1.5 1156 1340 5 192 4 17.4 1.2 0.035 34 2.0
172 0.00 -0.02 -0.00 199.9 1.000 -33 2 0.00 0.00 0.026 1.7 1118 1386 8 208 3 17.1 0.8 0.045 46 9.7
173 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.028 1.5 1115 1404 8 238 6 17.7 0.5 0.049 53 2.5
174 0.00 -0.02 -0.00 199.9 1.000 -33 2 0.00 0.00 0.027 1.8 1142 1381 4 218 3 17.7 1.2 0.036 52 3.0
175 0.00 -0.01 -0.00 199.9 1.000 -33 2 0.00 0.00 0.027 1.7 1157 1329 6 229 4 17.0 0.5 0.044 58 6.6
176 0.00 -0.01 -0.00 199.9 1.000 -32 2 0.00 0.00 0.027 1.8 1173 1333 4 229 1 16.8 0.4 0.044 44 4.9
177 0.00 -0.01 -0.00 199.9 1.000 -32 2 0.00 0.00 0.026 1.6 1142 1350 12 234 2 16.4 0.5 0.030 39 8.6
178 0.00 -0.02 -0.00 199.9 1.000 -32 2 0.00 0.00 0.026 1.6 1161 1314 3 226 2 16.0 0.6 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 9 212 0 16.7 0.2 0.042 45 4.0
180 0.00 -0.02 -0.00 199.9 1.000 -32 2 0.00 0.00 0.028 1.8 1177 1309 4 252 5 16.1 0.3 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 0.018 704
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
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 0.018 677
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 0.017 737
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 0.017 726
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
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 0.16 0.08 0.03 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 706
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 0.017 702
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 0.017 695
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 0.018 683
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 0.018 677
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 0.017 703
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
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 0.016 681
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 0.016 667
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 0.016 643
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 0.016 672
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
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 0.016 707
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
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 0.016 695
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 0.016 666
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 0.21 0.06 0.04 78.77 78.77 36.92 90.00 90.00 90.00 0.25 0.00 0.00 0.016 664
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 0.017 660
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
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 0.017 635
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 0.015 615
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 0.016 631
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 0.016 657
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
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 0.017 607
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 0.015 583
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 0.016 610
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
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 0.016 644
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 0.017 637
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 0.017 613
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
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 0.018 585
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
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 0.018 599
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 0.018 599
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
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 0.019 568
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 2.52).
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 22)
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 17 profiles the correlation coefficient with the central profile is less than 0.5.
Smallest correlation coefficient is 0.21
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 0.47 1 5 0.45 1 6 0.33 1 10 0.27
1 11 0.29 1 15 0.21
*** 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 40.0
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: