Generate File TITLE: Raw data wedge from BL822_2016_10_10_1_00###.img 1 to 140 at lambda= 0.999994
Crystal Identifier: BL822_2016_10_10_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 1.3A)
1 -0.01 -0.02 0.00 199.6 1.000 -49 9 0.00 0.00 0.051 0.9 620 2531 0 894 1 8.4 -0.1 0.049 64 1.4
2 -0.01 -0.02 -0.00 199.6 1.000 -50 8 0.00 0.00 0.053 1.0 607 2560 0 894 4 7.5 -0.0 0.043 84 0.6
3 -0.01 -0.02 -0.00 199.6 1.000 -50 7 0.00 0.00 0.055 1.1 511 2716 0 907 1 8.5 -0.1 0.038 26 1.3
4 -0.02 -0.02 -0.00 199.6 1.000 -50 4 0.00 0.00 0.054 1.0 548 2656 0 960 2 9.8 0.2 0.021 42 1.6
5 -0.01 -0.03 -0.00 199.6 1.000 -49 5 0.00 0.00 0.050 1.2 557 2629 1 925 7 9.4 -0.0 0.089 50 1.3
6 -0.01 -0.02 -0.00 199.6 1.000 -49 4 0.00 0.00 0.045 1.2 583 2584 1 901 6 8.4 -0.0 0.086 56 0.9
7 -0.01 -0.02 0.00 199.6 1.000 -49 4 0.00 0.00 0.046 1.2 599 2578 0 916 5 8.9 0.1 0.047 40 3.7
8 -0.01 -0.02 -0.00 199.6 1.000 -50 4 0.00 0.00 0.044 0.9 574 2578 0 934 3 7.7 -0.0 0.102 44 1.7
9 -0.01 -0.02 0.00 199.6 1.000 -50 4 0.00 0.00 0.050 1.0 590 2591 0 915 5 7.0 0.1 0.120 125 0.8
10 0.00 -0.01 0.00 199.6 1.000 -50 4 0.00 0.00 0.048 1.0 614 2542 0 911 1 7.7 0.1 0.493 46 0.5
11 -0.01 -0.01 0.00 199.6 1.000 -49 5 0.00 0.00 0.047 0.9 598 2511 0 930 2 8.7 0.0 0.032 26 1.2
12 0.00 -0.01 -0.00 199.6 1.000 -49 5 0.00 0.00 0.052 1.0 611 2551 0 946 2 8.0 0.2 0.021 16 1.4
13 -0.01 -0.01 0.00 199.7 1.000 -49 4 0.00 0.00 0.060 1.1 587 2542 1 920 4 7.1 0.2 0.012 26 0.4
14 -0.01 -0.01 0.00 199.7 1.000 -49 4 0.00 0.00 0.048 1.0 600 2523 0 966 1 6.0 -0.1 0.079 20 0.9
15 0.00 -0.01 -0.00 199.7 1.000 -49 5 0.00 0.00 0.046 0.9 615 2514 1 921 1 5.7 0.1 0.057 22 0.6
16 -0.01 0.00 -0.00 199.6 1.000 -50 5 0.00 0.00 0.046 1.0 598 2491 0 928 0 6.5 -0.1 0.055 28 0.6
17 -0.01 -0.01 -0.00 199.6 1.000 -50 4 0.00 0.00 0.052 0.9 596 2466 1 937 1 5.8 0.2 0.109 20 0.5
18 0.00 -0.01 -0.00 199.6 1.000 -49 4 0.00 0.00 0.042 1.1 588 2406 0 917 0 6.2 0.3 0.146 30 0.8
19 0.00 -0.02 -0.00 199.6 1.000 -51 7 0.00 0.00 0.059 1.0 671 2490 0 922 1 9.5 0.1 0.023 34 1.0
20 -0.01 -0.02 0.00 199.6 1.000 -51 7 0.00 0.00 0.059 1.0 644 2568 0 952 2 9.4 0.2 0.038 36 0.6
21 0.00 -0.01 -0.00 199.6 1.000 -51 6 0.00 0.00 0.049 0.9 632 2499 0 929 2 8.1 0.0 0.096 24 0.6
22 -0.01 -0.01 0.00 199.6 1.000 -51 6 0.00 0.00 0.065 1.0 629 2425 0 910 3 7.3 -0.0 0.092 32 0.6
23 0.00 0.00 -0.00 199.6 1.000 -51 7 0.00 0.00 0.045 1.0 608 2407 0 941 0 4.9 0.1 0.139 28 1.1
24 -0.02 0.00 0.00 199.6 1.000 -51 6 0.00 0.00 0.048 1.1 561 2497 0 923 4 5.3 0.0 0.697 22 0.7
25 0.00 0.00 -0.00 199.6 1.000 -51 7 0.00 0.00 0.042 1.0 680 2535 0 927 2 7.3 0.2 0.193 40 0.5
26 -0.01 -0.01 -0.00 199.6 1.000 -51 6 0.00 0.00 0.053 1.1 640 2505 0 881 2 8.1 0.2 0.139 20 0.5
27 0.00 -0.01 -0.00 199.6 1.000 -51 6 0.00 0.00 0.055 0.9 613 2478 0 924 2 8.1 -0.0 0.376 22 1.3
28 0.00 0.00 -0.00 199.6 1.000 -51 6 0.00 0.00 0.045 1.0 580 2434 0 939 1 7.1 -0.0 0.375 38 1.0
29 -0.01 0.00 0.00 199.6 1.000 -51 6 0.00 0.00 0.048 1.2 684 2450 0 925 1 7.1 0.2 0.068 50 0.6
30 -0.01 0.01 0.00 199.6 1.000 -51 5 0.00 0.00 0.046 1.0 632 2498 0 914 1 7.0 0.0 0.036 30 0.7
31 -0.01 0.00 0.00 199.6 1.000 -51 7 0.00 0.00 0.051 1.0 635 2433 0 905 7 8.1 0.1 0.053 52 0.8
32 0.00 0.00 -0.00 199.6 1.000 -51 7 0.00 0.00 0.050 1.1 557 2460 0 895 1 7.3 0.2 0.078 28 0.8
33 0.00 0.00 0.00 199.6 1.000 -51 7 0.00 0.00 0.045 1.1 679 2549 0 949 1 6.1 0.3 0.104 44 0.7
34 -0.01 -0.01 -0.00 199.6 1.000 -51 6 0.00 0.00 0.047 1.0 605 2523 0 960 3 7.7 0.2 0.162 36 1.0
35 0.00 0.00 0.00 199.6 1.000 -52 6 0.00 0.00 0.044 0.9 541 2459 0 890 1 7.2 0.2 0.048 24 0.9
36 0.00 0.00 -0.00 199.6 1.000 -51 6 0.00 0.00 0.041 0.9 688 2526 0 936 2 6.5 0.3 0.350 70 0.7
37 0.00 0.00 0.00 199.5 1.000 -52 6 0.00 0.00 0.044 1.1 585 2541 0 956 4 7.6 0.1 0.103 26 0.7
38 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.039 0.9 532 2485 0 892 1 8.1 -0.2 0.013 28 1.2
39 0.00 0.00 -0.00 199.5 1.000 -51 8 0.00 0.00 0.045 1.0 690 2530 0 995 1 6.0 -0.1 0.153 70 0.9
40 0.00 0.00 -0.00 199.5 1.000 -51 7 0.00 0.00 0.041 0.9 587 2540 0 945 0 6.6 0.3 0.033 46 0.8
41 0.00 0.00 -0.00 199.5 1.000 -52 6 0.00 0.00 0.042 0.9 534 2551 0 934 0 7.9 -0.0 0.053 32 0.7
42 0.00 0.00 -0.00 199.5 1.000 -51 7 0.00 0.00 0.049 1.2 644 2567 0 960 3 6.7 -0.1 0.079 50 0.8
43 0.00 0.00 0.00 199.5 1.000 -52 7 0.00 0.00 0.044 0.9 594 2490 0 913 2 7.3 0.1 0.083 40 0.5
44 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.046 0.9 643 2478 0 976 4 7.1 0.1 0.145 96 1.7
45 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.053 1.1 626 2503 0 943 1 7.0 -0.1 0.083 80 1.0
RESULTS OF POSTREFINEMENT
3 successive pairs of images will be used
Each image will have its own missetting angles
Initial cell parameters 79.249 79.249 37.113 90.00 90.00 90.00
Initial missetting angles -0.092 -0.151 0.005
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.486 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 -0.09 -0.16 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.54 0.00 0.00 0.030 161
sds 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 -0.09 -0.16 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.53 0.00 0.00 0.029 318
sds 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 -0.10 -0.15 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.53 0.00 0.00 0.029 464
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
5 -0.10 -0.14 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.52 0.00 0.00 0.027 430
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
6 -0.10 -0.14 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.026 412
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
7 -0.10 -0.14 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.027 390
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
8 -0.10 -0.14 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.026 393
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
9 -0.10 -0.14 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 410
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
10 -0.09 -0.14 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 420
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
11 -0.09 -0.14 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 439
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
12 -0.09 -0.13 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.023 424
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
13 -0.09 -0.13 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.023 436
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
14 -0.09 -0.13 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.022 404
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
15 -0.09 -0.13 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.022 414
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
16 -0.09 -0.12 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 385
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
17 -0.09 -0.12 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 397
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
18 -0.09 -0.12 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 364
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
19 -0.09 -0.11 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 376
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
20 -0.09 -0.11 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 401
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
21 -0.09 -0.10 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 439
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
22 -0.09 -0.11 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 438
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
23 -0.08 -0.10 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 381
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
24 -0.08 -0.10 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.024 374
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
25 -0.08 -0.10 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 418
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
26 -0.08 -0.10 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 451
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
27 -0.08 -0.10 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.024 442
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
28 -0.08 -0.09 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.026 405
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
29 -0.08 -0.10 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 353
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
30 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 372
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
31 -0.07 -0.08 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 386
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
32 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 396
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
33 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 411
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
34 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.028 417
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
35 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.026 443
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
36 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 408
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
37 -0.07 -0.07 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 393
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
38 -0.06 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.027 395
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
39 -0.06 -0.07 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 381
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
40 -0.06 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 404
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
41 -0.06 -0.06 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 370
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
42 -0.07 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 381
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
43 -0.06 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.026 373
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
44 -0.05 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.027 408
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
45 -0.06 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.026 389
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 1.3A)
46 0.00 0.00 0.00 199.5 1.000 -52 7 0.00 0.00 0.041 0.9 579 2465 0 896 0 5.6 -0.0 0.058 74 0.8
47 0.00 0.00 0.00 199.5 1.000 -52 7 0.00 0.00 0.042 1.0 633 2521 0 918 1 5.6 -0.1 0.117 96 0.7
48 0.00 -0.01 -0.00 199.5 1.000 -52 7 0.00 0.00 0.041 1.0 616 2552 0 913 0 6.2 0.0 0.031 102 1.0
49 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.049 0.9 582 2535 0 882 0 6.4 -0.1 0.058 86 2.2
50 0.00 0.00 0.00 199.5 1.000 -53 7 0.00 0.00 0.047 1.0 611 2556 0 926 0 5.7 -0.0 0.090 106 1.1
51 0.00 0.00 -0.00 199.5 1.000 -54 8 0.00 0.00 0.045 1.1 586 2541 0 942 0 5.9 0.1 0.124 112 1.1
52 0.00 0.00 -0.00 199.5 1.000 -53 7 0.00 0.00 0.037 0.9 599 2544 0 947 1 5.9 -0.0 0.080 138 2.4
53 0.00 0.00 -0.00 199.5 1.000 -53 7 0.00 0.00 0.044 1.0 600 2533 0 914 0 5.9 -0.0 0.063 136 0.6
54 0.01 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.040 1.0 593 2536 0 940 0 6.1 0.0 0.052 134 3.2
55 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.039 1.0 589 2572 0 894 0 6.4 0.1 0.044 164 1.2
56 0.00 0.00 -0.00 199.5 1.000 -53 9 0.00 0.00 0.040 0.9 581 2573 0 956 0 5.6 0.0 0.052 190 0.7
57 0.00 0.00 0.00 199.5 1.000 -52 8 0.00 0.00 0.039 0.9 565 2551 0 885 0 6.1 0.3 0.079 214 0.8
58 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.044 1.0 599 2573 0 912 1 5.1 0.0 0.062 286 0.9
59 0.00 0.00 -0.00 199.5 1.000 -52 9 0.00 0.00 0.040 0.9 602 2523 0 916 0 6.3 0.0 0.045 356 1.4
60 0.00 0.00 -0.00 199.5 1.000 -53 9 0.00 0.00 0.040 0.9 603 2520 0 914 0 6.4 0.1 0.066 460 1.0
61 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.054 0.9 574 2560 0 880 1 6.1 -0.0 0.062 448 1.3
62 0.01 0.00 -0.00 199.5 1.000 -53 9 0.00 0.00 0.043 1.0 607 2561 0 915 0 6.0 -0.1 0.066 399 1.0
63 0.00 0.01 0.00 199.5 1.000 -52 9 0.00 0.00 0.037 0.9 571 2581 0 919 0 6.7 -0.0 0.052 254 1.3
64 0.00 0.00 -0.00 199.5 1.000 -52 9 0.00 0.00 0.036 1.0 602 2575 0 867 0 6.9 0.2 0.050 234 1.2
65 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.040 1.0 573 2580 0 956 1 6.0 -0.0 0.054 188 1.7
66 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.038 0.9 587 2571 0 894 0 6.4 0.1 0.054 155 1.9
67 0.01 0.00 0.00 199.5 1.000 -53 8 0.00 0.00 0.039 0.9 592 2535 0 938 0 6.6 0.1 0.057 152 1.0
68 0.01 0.01 -0.00 199.5 1.000 -53 8 0.00 0.00 0.040 1.0 567 2595 0 891 0 6.9 0.2 0.067 122 0.8
69 0.01 0.00 0.00 199.5 1.000 -53 8 0.00 0.00 0.036 1.1 575 2633 0 909 0 6.7 0.1 0.054 130 3.0
70 0.01 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.039 0.9 602 2569 0 938 0 6.6 -0.2 0.057 111 1.9
71 0.00 0.00 -0.00 199.5 1.000 -54 8 0.00 0.00 0.037 0.9 586 2552 0 899 0 6.6 -0.1 0.058 111 1.1
72 0.01 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.043 0.8 582 2582 0 905 0 7.0 -0.0 0.049 87 0.6
73 0.00 0.01 -0.00 199.5 1.000 -54 8 0.00 0.00 0.044 1.0 595 2538 0 895 0 6.4 0.1 0.049 82 1.6
74 0.00 0.01 0.00 199.5 1.000 -54 8 0.00 0.00 0.042 0.9 594 2555 0 898 0 6.3 0.0 0.060 71 0.6
75 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.038 0.9 592 2551 0 937 1 6.8 -0.1 0.043 81 1.1
76 0.00 0.00 -0.00 199.5 1.000 -55 7 0.00 0.00 0.037 1.0 599 2553 0 920 0 6.8 0.0 0.146 84 0.8
77 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.041 0.9 604 2549 0 928 0 6.5 0.2 0.106 75 0.8
78 0.01 0.01 -0.00 199.5 1.000 -54 7 0.00 0.00 0.038 0.9 587 2532 0 901 0 7.0 -0.1 0.029 64 1.3
79 0.00 0.00 0.00 199.5 1.000 -54 7 0.00 0.00 0.039 0.9 604 2534 0 846 1 5.7 0.1 0.153 59 0.6
80 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.039 0.9 630 2464 0 897 0 7.3 -0.1 0.060 69 1.7
81 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.042 0.9 636 2474 0 904 1 6.6 0.1 0.076 74 0.9
82 0.01 0.00 0.00 199.5 1.000 -54 7 0.00 0.00 0.035 0.9 646 2482 0 901 0 6.6 0.0 0.033 70 0.7
83 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.039 0.9 618 2478 0 877 0 6.2 0.1 0.069 47 0.9
84 0.01 0.00 0.00 199.5 1.000 -54 7 0.00 0.00 0.039 0.8 611 2495 0 902 0 6.6 0.1 0.044 46 0.5
85 0.00 0.00 0.00 199.6 1.000 -55 7 0.00 0.00 0.037 0.9 619 2497 0 911 0 6.9 -0.0 0.063 48 0.7
86 0.02 0.00 0.00 199.6 1.000 -55 7 0.00 0.00 0.043 0.8 623 2467 0 884 0 6.0 -0.0 0.054 43 0.8
87 0.02 0.00 0.00 199.6 1.000 -54 7 0.00 0.00 0.042 0.9 653 2437 0 929 0 6.8 -0.0 0.129 58 0.7
88 0.01 0.00 -0.00 199.6 1.000 -54 7 0.00 0.00 0.036 0.8 661 2394 0 916 1 7.2 0.0 0.064 65 1.2
89 0.01 0.00 0.00 199.6 1.000 -54 7 0.00 0.00 0.036 0.8 656 2383 0 872 0 6.3 -0.0 0.082 46 0.7
90 0.00 0.00 -0.00 199.6 1.000 -55 7 0.00 0.00 0.038 0.8 654 2408 0 887 1 6.1 -0.0 0.121 56 0.7
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
46 -0.05 -0.05 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 404
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
47 -0.06 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 408
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
48 -0.05 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 416
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
49 -0.05 -0.04 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 417
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
50 -0.05 -0.04 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 404
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
51 -0.05 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 416
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
52 -0.04 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 414
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
53 -0.04 -0.03 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 422
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
54 -0.04 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.027 431
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
55 -0.04 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 461
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
56 -0.05 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 458
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
57 -0.03 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 433
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
58 -0.04 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 423
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
59 -0.04 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 438
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
60 -0.03 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.027 418
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
61 -0.03 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.029 424
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
62 -0.02 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.030 415
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
63 -0.03 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.030 465
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
64 -0.03 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 449
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
65 -0.02 -0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 449
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
66 -0.03 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.030 439
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
67 -0.02 -0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 416
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
68 -0.01 -0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 395
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
69 -0.02 -0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.028 412
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
70 -0.01 -0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 432
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
71 -0.00 -0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.024 417
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
72 -0.01 -0.00 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.023 417
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
73 -0.00 0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.023 413
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
74 0.00 0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.024 445
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
75 -0.00 0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.024 427
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
76 0.00 0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 418
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
77 0.01 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 422
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
78 0.01 0.01 -0.06 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.026 430
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
79 0.02 0.01 -0.06 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 434
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
80 0.01 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 447
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
81 0.03 0.01 -0.06 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.024 444
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
82 0.02 0.01 -0.06 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.023 443
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
83 0.02 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 422
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
84 0.03 0.01 -0.06 79.25 79.25 37.11 90.00 90.00 90.00 0.48 0.00 0.00 0.023 419
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
85 0.03 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.48 0.00 0.00 0.024 417
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
86 0.03 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.48 0.00 0.00 0.025 405
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
87 0.04 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.48 0.00 0.00 0.024 396
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
88 0.04 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.023 388
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
89 0.05 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.024 379
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
90 0.06 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.025 374
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 1.3A)
91 0.00 0.00 -0.00 199.6 1.000 -55 7 0.00 0.00 0.033 1.0 646 2399 0 863 0 7.2 0.4 0.031 42 0.8
92 0.01 0.01 -0.00 199.5 1.000 -55 8 0.00 0.00 0.037 1.0 660 2407 0 880 1 6.5 0.1 0.051 38 0.7
93 0.01 0.01 -0.00 199.5 1.000 -55 8 0.00 0.00 0.037 1.1 687 2382 0 861 0 6.5 0.1 0.066 56 0.9
94 0.01 0.00 -0.00 199.5 1.000 -55 8 0.00 0.00 0.034 1.1 695 2333 0 859 1 6.9 0.0 0.043 72 1.1
95 0.01 0.00 -0.00 199.5 1.000 -55 8 0.00 0.00 0.039 1.0 697 2318 0 878 1 6.3 0.0 0.107 93 0.7
96 0.00 0.00 -0.00 199.5 1.000 -55 8 0.00 0.00 0.034 1.1 705 2287 0 816 0 7.0 -0.0 0.045 113 1.1
97 0.01 0.00 0.00 199.5 1.000 -56 7 0.00 0.00 0.033 1.0 726 2258 0 865 0 6.7 0.1 0.109 68 0.6
98 0.01 0.01 -0.00 199.5 1.000 -56 7 0.00 0.00 0.036 0.9 733 2228 0 835 0 6.0 0.1 0.074 52 1.0
99 0.00 0.00 0.00 199.5 1.000 -56 7 0.00 0.00 0.033 1.1 747 2209 0 816 0 6.6 -0.0 0.040 54 1.0
100 0.01 0.00 0.00 199.5 1.000 -56 8 0.00 0.00 0.035 1.1 781 2178 0 843 0 6.4 -0.1 0.085 67 0.8
101 0.00 0.00 0.00 199.6 1.000 -56 8 0.00 0.00 0.031 1.0 774 2164 0 860 0 7.0 0.2 0.046 58 1.0
102 0.01 0.02 -0.00 199.5 1.000 -56 7 0.00 0.00 0.039 1.0 762 2145 0 806 0 6.0 0.0 0.080 52 0.5
103 0.01 0.01 -0.00 199.6 1.000 -56 7 0.00 0.00 0.039 1.1 773 2143 0 828 0 6.8 0.1 0.051 43 1.1
104 0.01 0.00 0.00 199.6 1.000 -56 8 0.00 0.00 0.037 0.9 782 2129 0 814 0 6.2 0.2 0.116 42 0.6
105 0.01 0.00 0.00 199.6 1.000 -56 7 0.00 0.00 0.032 1.0 775 2108 0 785 0 6.5 0.1 0.083 42 0.8
106 0.01 0.01 0.00 199.6 1.000 -56 7 0.00 0.00 0.035 1.1 805 2138 0 878 1 6.2 0.0 0.047 63 0.9
107 0.01 0.00 0.00 199.6 1.000 -55 7 0.00 0.00 0.036 1.1 780 2129 0 810 0 7.0 -0.0 0.090 44 0.5
108 0.01 0.01 -0.00 199.6 1.000 -55 7 0.00 0.00 0.037 1.3 769 2081 0 813 0 6.9 0.1 0.076 42 0.7
109 0.01 0.02 0.00 199.6 1.000 -55 7 0.00 0.00 0.040 1.0 802 2104 0 833 1 6.4 -0.1 0.065 43 2.8
110 0.00 0.01 -0.00 199.6 1.000 -55 6 0.00 0.00 0.038 1.1 761 2124 0 831 0 7.2 -0.0 0.042 40 0.7
111 0.00 0.00 -0.00 199.6 1.000 -56 7 0.00 0.00 0.042 1.1 798 2117 0 825 0 7.3 -0.1 0.051 33 4.1
112 0.01 0.00 0.00 199.6 1.000 -56 7 0.00 0.00 0.037 1.0 772 2127 0 829 1 6.7 0.1 0.083 44 0.9
113 0.01 0.02 -0.00 199.6 1.000 -56 7 0.00 0.00 0.037 1.1 816 2079 0 818 0 6.2 -0.0 0.034 59 0.7
114 0.00 0.00 0.00 199.6 1.000 -56 7 0.00 0.00 0.037 1.1 796 2108 0 799 2 6.3 0.0 0.063 48 1.6
115 0.01 0.00 -0.00 199.6 1.000 -56 7 0.00 0.00 0.038 1.0 795 2142 0 862 0 6.4 0.1 0.047 47 0.6
116 0.01 0.00 -0.00 199.6 1.000 -56 6 0.00 0.00 0.044 1.0 769 2113 0 853 0 5.8 -0.2 0.065 32 1.1
117 0.00 0.00 -0.00 199.6 1.000 -56 6 0.00 0.00 0.045 1.2 809 2104 0 819 0 6.9 0.1 0.035 28 0.5
118 0.01 0.00 0.00 199.6 1.000 -56 6 0.00 0.00 0.046 1.1 810 2109 0 778 0 6.2 0.1 0.088 30 0.8
119 0.01 0.00 0.00 199.6 1.000 -56 6 0.00 0.00 0.035 1.0 797 2080 0 813 1 6.2 0.1 0.074 40 0.6
120 0.00 0.00 -0.00 199.6 1.000 -56 6 0.00 0.00 0.042 1.1 790 2109 0 792 0 6.3 -0.1 0.097 39 0.7
121 0.00 0.00 0.00 199.6 1.000 -56 6 0.00 0.00 0.039 0.9 772 2183 0 810 0 7.1 0.1 0.045 42 2.2
122 0.00 0.00 0.00 199.6 1.000 -57 6 0.00 0.00 0.040 1.1 763 2202 0 814 2 6.7 0.1 0.054 36 0.6
123 0.01 0.02 0.00 199.6 1.000 -56 6 0.00 0.00 0.040 1.0 784 2155 0 856 0 6.1 -0.1 0.061 34 0.5
124 0.01 0.01 -0.00 199.6 1.000 -56 6 0.00 0.00 0.041 1.0 760 2188 0 851 0 6.1 -0.0 0.043 55 1.1
125 0.02 0.00 -0.00 199.6 1.000 -55 6 0.00 0.00 0.049 1.2 726 2227 0 835 0 6.6 0.0 0.130 34 1.2
126 0.01 0.00 0.00 199.6 1.000 -55 6 0.00 0.00 0.044 1.1 748 2197 0 833 0 6.0 -0.0 0.051 44 0.9
127 0.00 0.00 0.00 199.6 1.000 -55 5 0.00 0.00 0.044 1.1 757 2198 0 798 0 6.7 0.1 0.036 46 1.1
128 0.00 0.00 0.00 199.6 1.000 -55 5 0.00 0.00 0.050 1.0 734 2236 0 861 0 6.4 0.2 0.153 32 0.6
129 0.00 0.00 -0.00 199.6 1.000 -55 4 0.00 0.00 0.043 1.2 718 2272 0 876 1 6.8 0.0 0.045 24 0.6
130 0.00 0.00 -0.00 199.6 1.000 -55 3 0.00 0.00 0.048 1.1 666 2343 0 876 0 6.7 -0.1 0.057 20 0.6
131 0.00 0.00 -0.00 199.6 1.000 -56 3 0.00 0.00 0.042 1.1 685 2349 0 874 0 6.5 -0.2 0.068 28 0.5
132 0.00 0.00 -0.00 199.6 1.000 -56 3 0.00 0.00 0.049 1.3 703 2321 0 882 0 7.2 -0.1 0.070 24 2.1
133 0.00 0.01 -0.00 199.6 1.000 -55 3 0.00 0.00 0.050 1.2 706 2300 0 896 0 6.1 0.0 0.129 24 0.5
134 0.01 0.00 -0.00 199.6 1.000 -55 4 0.00 0.00 0.044 1.2 687 2300 0 854 1 6.6 0.0 0.081 36 4.9
135 0.01 -0.01 0.00 199.6 1.000 -55 4 0.00 0.00 0.044 1.2 699 2315 0 888 0 6.6 0.2 0.058 22 1.2
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
91 0.05 0.01 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.025 384
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
92 0.06 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.024 381
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
93 0.06 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.022 378
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
94 0.07 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.45 0.00 0.00 0.022 352
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
95 0.07 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.021 355
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
96 0.07 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.020 340
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
97 0.07 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.43 0.00 0.00 0.019 342
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
98 0.08 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.43 0.00 0.00 0.019 349
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
99 0.09 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.019 361
sds 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 0.09 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.019 345
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
101 0.09 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.019 341
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
102 0.09 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.019 344
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
103 0.10 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.019 356
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
104 0.10 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.021 353
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
105 0.11 0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 351
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
106 0.11 0.00 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 346
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
107 0.12 0.00 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 354
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
108 0.12 0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 346
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
109 0.12 -0.00 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.40 0.00 0.00 0.020 332
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
110 0.13 -0.00 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.40 0.00 0.00 0.020 348
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
111 0.13 -0.00 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.40 0.00 0.00 0.021 353
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
112 0.13 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.40 0.00 0.00 0.022 373
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
113 0.13 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.40 0.00 0.00 0.022 369
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
114 0.14 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.023 381
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
115 0.14 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.024 362
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
116 0.14 -0.01 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.024 370
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
117 0.14 -0.01 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.024 380
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
118 0.15 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.023 384
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
119 0.15 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 374
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
120 0.16 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.023 351
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
121 0.16 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.023 360
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
122 0.16 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.024 376
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
123 0.16 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.025 391
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
124 0.17 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.43 0.00 0.00 0.026 399
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
125 0.17 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.43 0.00 0.00 0.026 398
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
126 0.17 -0.02 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.43 0.00 0.00 0.025 390
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
127 0.17 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.025 401
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
128 0.17 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.024 396
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
129 0.17 -0.03 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.026 419
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
130 0.18 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.44 0.00 0.00 0.024 407
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
131 0.19 -0.04 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.45 0.00 0.00 0.025 404
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
132 0.19 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.45 0.00 0.00 0.024 388
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
133 0.19 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.45 0.00 0.00 0.025 397
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
134 0.19 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.45 0.00 0.00 0.025 380
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
135 0.19 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.026 400
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 1.3A)
136 0.00 0.01 0.00 199.6 1.000 -55 4 0.00 0.00 0.053 1.2 710 2319 0 887 3 6.6 0.1 0.061 38 3.8
137 0.01 0.00 -0.00 199.6 1.000 -55 5 0.00 0.00 0.050 1.2 647 2348 0 861 1 6.4 0.1 0.075 30 0.7
138 0.02 0.00 0.00 199.6 1.000 -54 5 0.00 0.00 0.055 1.0 680 2371 1 883 0 6.2 -0.0 0.055 20 1.3
139 0.01 0.00 -0.00 199.6 1.000 -54 6 0.00 0.00 0.045 1.3 701 2391 0 887 0 6.5 0.1 0.086 18 0.9
140 0.01 0.01 0.00 199.6 1.000 -54 6 0.00 0.00 0.042 1.1 654 2353 0 881 1 5.5 -0.0 0.034 18 1.1
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
136 0.20 -0.05 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.025 386
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
137 0.20 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.46 0.00 0.00 0.026 406
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
138 0.20 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.026 399
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
139 0.20 -0.05 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.028 405
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
140 0.21 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.47 0.00 0.00 0.029 414
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** Warning messages ***
*** SERIOUS PROBLEMS ***
========================
The following problems may have a significant effect on data quality
Action should be taken to eliminate these warnings.
ERROR IN DETECTOR GAIN
======================
The ratio of the observed variation in background pixels to that
expected statistically (the BGRATIO) lies outside the range 0.7 to 1.3.
Actual values: minimum: 0.69 maximum: 0.70
The most likely explanation is that the GAIN of the detector is incorrect.
The current GAIN is 0.30 but the observed BGRATIO suggests it should be
set to 0.15.
NOTE however that diffuse scatter can lead to an increased value of BGRATIO
even when the gain is correct.
Since the gain for any detector should remain constant, it should be worked out
for a crystal giving strong diffraction and "clean" spots (ie no disorder or
diffuse scatter)and kept at this value.
Processing data with an incorrect gain will result in a systematic
overestimate of very weak reflections and incorrect standard deviations.
*** PROBLEMS WORTH CONSIDERING ***
==================================
The following warnings suggest that the processing might be improved
if appropriate action is taken.
POOR PROFILES IN SOME AREAS
===========================
For 19 profiles the correlation coefficient with the central profile is less than 0.5.
Smallest correlation coefficient is -0.39
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 2 0.28 1 4 0.43 1 5 -0.19 1 6 0.40
1 20 0.39 1 24 0.08
*** THE FOLLOWING ARE MAINLY FOR INFORMATION ***
================================================
In some cases it may be possible to change the processing to eliminate
some of these warnings.
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.
Refined detector parameters:
Post refinement:
Elven plots: