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 -52 7 0.00 0.00 0.051 0.9 620 2527 0 892 1 8.4 -0.1 0.055 64 1.9
2 -0.01 -0.02 -0.00 199.6 1.000 -53 5 0.00 0.00 0.052 1.1 609 2556 0 902 4 7.6 0.1 0.047 84 0.9
3 -0.02 -0.03 -0.00 199.6 1.000 -51 5 0.00 0.00 0.054 0.9 511 2713 0 925 2 8.6 -0.1 0.040 26 1.3
4 -0.02 -0.02 -0.00 199.6 1.000 -51 3 0.00 0.00 0.053 1.0 551 2652 0 956 2 9.8 0.2 0.021 44 1.6
5 -0.01 -0.02 0.00 199.6 1.000 -50 3 0.00 0.00 0.050 1.2 559 2630 1 929 7 9.4 -0.0 0.089 50 1.3
6 -0.02 -0.02 -0.00 199.6 1.000 -50 3 0.00 0.00 0.045 1.1 585 2581 1 894 4 8.3 -0.0 0.077 58 0.9
7 -0.01 -0.02 0.00 199.6 1.000 -50 3 0.00 0.00 0.048 1.0 591 2579 0 911 6 8.9 0.1 0.043 36 3.5
8 -0.01 -0.02 -0.00 199.6 1.000 -50 4 0.00 0.00 0.044 0.9 574 2576 0 930 3 7.7 -0.0 0.096 44 1.7
9 -0.02 -0.03 0.00 199.6 1.000 -50 4 0.00 0.00 0.050 1.0 589 2592 0 912 4 7.0 0.1 0.157 123 0.7
10 0.00 -0.01 0.00 199.6 1.000 -50 4 0.00 0.00 0.049 1.0 614 2545 0 909 1 7.7 0.2 0.467 46 0.5
11 -0.01 -0.02 0.00 199.6 1.000 -49 4 0.00 0.00 0.048 0.9 597 2513 0 927 2 8.7 0.0 0.032 26 1.2
12 0.00 -0.01 -0.00 199.6 1.000 -49 4 0.00 0.00 0.052 1.0 611 2553 0 951 2 8.0 0.1 0.021 16 1.4
13 -0.01 -0.01 0.00 199.7 1.000 -49 3 0.00 0.00 0.059 1.1 586 2547 1 928 3 7.0 0.1 0.011 26 0.3
14 -0.01 -0.02 0.00 199.7 1.000 -49 4 0.00 0.00 0.050 1.1 599 2526 0 971 0 6.0 -0.1 0.078 20 0.9
15 -0.02 -0.02 0.00 199.7 1.000 -50 4 0.00 0.00 0.048 1.0 615 2517 1 913 2 5.7 0.1 0.057 22 0.6
16 -0.02 -0.01 -0.00 199.7 1.000 -51 4 0.00 0.00 0.051 1.1 598 2494 0 914 0 6.5 -0.0 0.054 28 0.6
17 0.00 0.00 0.00 199.6 1.000 -50 4 0.00 0.00 0.049 1.0 593 2467 1 935 1 5.8 0.2 0.108 18 0.5
18 -0.01 -0.01 -0.00 199.6 1.000 -50 4 0.00 0.00 0.041 1.0 588 2407 0 909 0 6.2 0.2 0.141 30 0.7
19 0.00 -0.01 -0.00 199.6 1.000 -49 6 0.00 0.00 0.050 1.0 672 2487 0 909 0 9.5 0.1 0.022 34 1.0
20 0.00 -0.02 0.00 199.6 1.000 -50 6 0.00 0.00 0.064 1.0 644 2566 0 958 3 9.3 0.2 0.038 36 0.6
21 0.00 -0.01 -0.00 199.6 1.000 -49 6 0.00 0.00 0.049 0.9 632 2498 0 932 3 8.1 0.1 0.106 24 0.6
22 -0.01 -0.01 0.00 199.6 1.000 -49 5 0.00 0.00 0.065 1.1 628 2425 0 929 3 7.3 -0.0 0.098 32 0.6
23 0.00 0.00 -0.00 199.6 1.000 -50 7 0.00 0.00 0.047 1.1 610 2405 0 935 0 5.0 0.1 0.157 30 1.1
24 -0.01 -0.01 -0.00 199.6 1.000 -51 5 0.00 0.00 0.062 1.0 562 2495 0 926 4 5.3 0.0 0.687 22 0.7
25 0.00 0.00 -0.00 199.6 1.000 -51 5 0.00 0.00 0.046 1.0 680 2534 0 931 1 7.3 0.1 0.188 40 0.5
26 0.00 -0.02 -0.00 199.6 1.000 -51 5 0.00 0.00 0.054 1.0 642 2501 0 883 2 8.1 0.2 0.146 20 0.5
27 0.00 -0.01 -0.00 199.6 1.000 -52 4 0.00 0.00 0.057 0.9 615 2475 0 916 2 8.0 -0.0 0.369 22 1.2
28 0.00 0.00 -0.00 199.6 1.000 -51 5 0.00 0.00 0.045 1.0 585 2426 0 935 1 7.1 0.0 0.380 38 1.0
29 -0.01 0.00 0.00 199.6 1.000 -51 4 0.00 0.00 0.047 1.2 691 2438 0 931 1 7.1 0.1 0.068 50 0.6
30 -0.01 0.00 0.00 199.6 1.000 -51 4 0.00 0.00 0.046 1.0 633 2488 0 921 1 7.0 0.0 0.036 30 0.7
31 -0.01 0.00 0.00 199.6 1.000 -51 6 0.00 0.00 0.049 1.0 637 2427 0 903 7 8.1 0.2 0.055 52 0.8
32 0.00 0.00 -0.00 199.6 1.000 -51 6 0.00 0.00 0.051 1.1 560 2452 0 896 1 7.3 0.1 0.072 28 0.8
33 0.00 -0.01 0.00 199.6 1.000 -51 6 0.00 0.00 0.047 1.1 681 2543 0 944 1 6.1 0.3 0.103 44 0.7
34 0.00 -0.01 -0.00 199.6 1.000 -51 5 0.00 0.00 0.045 1.0 608 2516 0 964 3 7.7 0.2 0.158 36 1.0
35 0.00 0.00 -0.00 199.6 1.000 -52 6 0.00 0.00 0.047 1.0 539 2456 0 874 1 7.2 0.1 0.048 24 0.9
36 0.00 0.00 -0.00 199.6 1.000 -51 6 0.00 0.00 0.041 1.0 687 2525 0 938 2 6.5 0.2 0.356 70 0.7
37 0.00 0.00 0.00 199.6 1.000 -52 6 0.00 0.00 0.045 1.1 586 2539 0 948 4 7.6 0.0 0.100 26 0.7
38 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.038 0.9 531 2488 0 884 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 0.044 1.0 688 2535 0 1001 1 6.0 -0.1 0.153 70 0.9
40 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.041 0.9 586 2543 0 948 0 6.6 0.3 0.034 46 0.9
41 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.041 0.9 532 2552 0 927 0 7.9 0.0 0.052 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 0 967 3 6.7 -0.2 0.079 50 0.8
43 0.00 0.00 0.00 199.5 1.000 -51 7 0.00 0.00 0.045 0.9 594 2492 0 931 2 7.3 0.1 0.084 40 0.5
44 0.00 0.00 -0.00 199.5 1.000 -52 7 0.00 0.00 0.045 0.9 642 2481 0 988 4 7.1 0.1 0.146 96 1.7
45 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.053 1.1 624 2502 0 948 0 7.0 -0.2 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 -0.10 -0.16 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.54 0.00 0.00 0.028 155
sds 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 -0.10 -0.16 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.53 0.00 0.00 0.029 314
sds 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 0.52 0.00 0.00 0.029 458
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
5 -0.10 -0.15 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.52 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
6 -0.10 -0.14 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.027 413
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
7 -0.09 -0.15 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.027 392
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 0.026 395
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
9 -0.09 -0.14 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.51 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 0.025 422
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
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 0.025 441
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 0.023 423
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
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 0.023 433
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
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 0.022 401
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
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 0.022 412
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
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 0.021 381
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
17 -0.08 -0.12 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 390
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
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 0.021 361
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 -0.08 -0.11 0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.021 378
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
20 -0.08 -0.11 0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 401
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 -0.08 -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 -0.08 -0.11 -0.00 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.022 439
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
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 0.023 383
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 0.024 375
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 0.022 419
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
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 0.023 450
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 0.024 444
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
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 0.025 406
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
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 0.024 351
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
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 0.022 368
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 0.022 383
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 0.024 395
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
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 0.026 414
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
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 0.028 419
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
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 0.025 445
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
36 -0.07 -0.08 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.026 409
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 0.027 392
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 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.028 380
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
40 -0.07 -0.06 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.025 403
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 0.026 371
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 0.50 0.00 0.00 0.026 374
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
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 0.027 409
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 0.50 0.00 0.00 0.026 391
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
*** 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 -0.01 -0.00 199.5 1.000 -52 8 0.00 0.00 0.042 1.0 581 2465 0 887 0 5.6 0.0 0.059 76 0.8
47 -0.01 0.00 0.00 199.5 1.000 -53 8 0.00 0.00 0.043 1.0 633 2523 0 921 1 5.6 -0.0 0.117 96 0.7
48 0.00 -0.01 -0.00 199.5 1.000 -53 8 0.00 0.00 0.042 0.9 616 2556 0 891 0 6.2 0.0 0.031 102 1.0
49 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.050 0.9 581 2535 0 878 0 6.4 -0.1 0.047 86 1.1
50 0.00 0.00 0.00 199.5 1.000 -53 8 0.00 0.00 0.047 1.1 609 2558 0 919 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 0.044 1.1 584 2546 0 950 0 6.0 0.1 0.130 112 1.5
52 0.00 0.00 -0.00 199.5 1.000 -53 7 0.00 0.00 0.037 0.9 598 2547 0 954 1 5.9 -0.0 0.080 138 2.4
53 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.044 0.9 600 2539 0 921 0 5.9 -0.0 0.062 136 0.6
54 0.01 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.041 0.9 592 2539 0 945 0 6.1 0.0 0.051 132 3.0
55 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.039 1.0 589 2572 0 898 0 6.4 0.1 0.044 164 1.2
56 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.040 0.9 579 2576 0 952 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 0.9 564 2551 0 885 0 6.1 0.2 0.080 214 0.8
58 0.00 0.01 -0.00 199.5 1.000 -52 8 0.00 0.00 0.043 1.0 598 2576 0 918 1 5.1 0.0 0.062 286 0.9
59 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.040 0.9 602 2525 0 927 0 6.3 0.0 0.044 356 1.3
60 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.040 0.9 601 2525 0 916 0 6.4 0.1 0.067 456 1.1
61 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.054 0.9 573 2565 0 880 1 6.1 -0.0 0.065 448 1.9
62 0.01 0.00 -0.00 199.5 1.000 -53 9 0.00 0.00 0.043 1.0 604 2563 0 918 0 6.0 -0.1 0.066 397 1.0
63 0.00 0.01 0.00 199.5 1.000 -52 9 0.00 0.00 0.038 0.9 571 2583 0 916 0 6.7 0.0 0.052 254 1.3
64 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.036 1.0 598 2580 0 858 0 6.9 0.1 0.047 232 1.1
65 0.00 0.00 -0.00 199.5 1.000 -52 8 0.00 0.00 0.040 1.0 571 2586 0 958 1 6.0 -0.1 0.053 184 1.7
66 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.038 0.9 586 2578 0 895 0 6.4 0.1 0.054 155 1.9
67 0.01 0.01 -0.00 199.5 1.000 -53 8 0.00 0.00 0.039 0.8 592 2536 0 925 0 6.6 0.1 0.058 152 1.0
68 0.01 0.01 -0.00 199.5 1.000 -53 8 0.00 0.00 0.038 1.0 566 2597 0 891 0 6.9 0.2 0.066 122 0.7
69 0.01 0.00 0.00 199.5 1.000 -52 8 0.00 0.00 0.036 1.1 568 2643 0 908 0 6.6 0.1 0.054 130 3.0
70 0.01 0.00 -0.00 199.5 1.000 -52 9 0.00 0.00 0.041 0.9 602 2573 0 941 0 6.6 -0.1 0.054 111 1.9
71 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.037 0.9 585 2552 0 901 0 6.6 -0.0 0.057 111 1.1
72 0.02 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.043 0.8 582 2582 0 911 0 7.0 -0.1 0.049 87 0.6
73 0.00 0.00 -0.00 199.5 1.000 -53 8 0.00 0.00 0.045 1.0 595 2539 0 908 0 6.4 0.1 0.051 82 1.8
74 0.01 0.01 -0.00 199.5 1.000 -54 8 0.00 0.00 0.042 1.0 594 2556 0 904 0 6.3 -0.0 0.060 71 0.6
75 0.00 0.00 -0.00 199.5 1.000 -54 8 0.00 0.00 0.037 0.9 591 2554 0 937 1 6.8 -0.0 0.043 81 1.1
76 0.00 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.038 1.1 599 2553 0 931 1 6.8 0.0 0.143 84 0.8
77 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.041 1.0 603 2550 0 924 0 6.5 0.2 0.102 73 0.8
78 0.01 0.01 -0.00 199.5 1.000 -54 7 0.00 0.00 0.038 0.9 587 2533 0 902 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 0.038 0.9 603 2533 0 855 1 5.7 0.1 0.150 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 2468 0 902 0 7.3 -0.1 0.059 69 1.7
81 0.01 0.00 -0.00 199.5 1.000 -54 7 0.00 0.00 0.043 1.0 634 2476 0 908 1 6.6 0.2 0.077 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 0 904 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 0.040 0.8 618 2478 0 881 0 6.2 0.2 0.069 47 0.9
84 0.00 0.00 0.00 199.5 1.000 -55 7 0.00 0.00 0.038 0.7 611 2495 0 906 0 6.7 0.1 0.045 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 2499 0 916 0 6.9 -0.1 0.063 48 0.7
86 0.02 0.00 0.00 199.6 1.000 -55 7 0.00 0.00 0.043 0.8 622 2469 0 886 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 0.043 1.0 654 2440 0 924 0 6.9 -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 0.8 662 2394 0 914 1 7.2 0.1 0.064 65 1.2
89 0.01 0.00 0.00 199.6 1.000 -54 7 0.00 0.00 0.036 0.8 657 2382 0 872 0 6.3 -0.0 0.081 46 0.8
90 0.00 0.00 -0.00 199.6 1.000 -55 7 0.00 0.00 0.038 0.8 654 2408 0 880 1 6.1 -0.0 0.120 56 0.7
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
46 -0.06 -0.05 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.029 405
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
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 0.029 415
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
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 0.029 406
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
51 -0.05 -0.04 -0.02 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.028 419
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
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 0.027 417
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
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 0.025 421
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 0.027 429
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 0.51 0.00 0.00 0.026 458
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
56 -0.05 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.028 456
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 0.51 0.00 0.00 0.028 432
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
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 0.028 421
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 0.028 436
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
60 -0.03 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.50 0.00 0.00 0.027 415
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
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 0.029 423
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
62 -0.03 -0.01 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.029 413
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
63 -0.03 -0.01 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.51 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 0.51 0.00 0.00 0.029 450
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 0.51 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
68 -0.02 -0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.51 0.00 0.00 0.029 394
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 0.028 411
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
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 0.023 414
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
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 0.024 447
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
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 0.024 429
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 0.026 420
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
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 0.025 423
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
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 0.026 431
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
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 0.025 435
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 0.02 0.01 -0.05 79.25 79.25 37.11 90.00 90.00 90.00 0.49 0.00 0.00 0.025 449
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
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 0.024 445
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
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 0.023 444
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
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 0.023 422
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 0.024 419
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 0.025 404
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
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 0.023 394
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 0.023 387
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 0.024 380
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
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 0.025 375
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 2397 0 856 0 7.2 0.4 0.032 42 0.8
92 0.01 0.00 -0.00 199.5 1.000 -55 8 0.00 0.00 0.037 1.0 660 2407 0 866 1 6.5 0.1 0.053 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 0 865 0 6.5 0.0 0.066 56 0.9
94 0.01 0.00 -0.00 199.6 1.000 -55 8 0.00 0.00 0.034 1.1 695 2333 0 856 1 6.9 0.0 0.044 72 1.1
95 0.01 0.00 -0.00 199.5 1.000 -55 8 0.00 0.00 0.039 1.1 697 2317 0 876 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 0.033 1.1 706 2286 0 819 0 7.0 -0.0 0.045 113 1.1
97 0.00 0.00 0.00 199.5 1.000 -56 7 0.00 0.00 0.033 1.0 726 2258 0 875 0 6.7 0.1 0.109 68 0.6
98 0.01 0.01 -0.00 199.5 1.000 -56 8 0.00 0.00 0.036 0.9 733 2227 0 831 0 6.0 0.1 0.073 52 1.0
99 0.00 0.00 0.00 199.5 1.000 -56 8 0.00 0.00 0.032 1.0 747 2208 0 808 0 6.6 -0.0 0.039 54 1.0
100 0.01 0.00 0.00 199.6 1.000 -56 8 0.00 0.00 0.035 1.1 782 2177 0 842 0 6.4 -0.1 0.083 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 2163 0 859 0 7.0 0.2 0.046 58 1.0
102 0.01 0.01 -0.00 199.6 1.000 -56 7 0.00 0.00 0.039 1.0 762 2145 0 799 0 6.0 0.0 0.077 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 2144 0 816 0 6.8 0.1 0.050 43 1.0
104 0.01 0.00 0.00 199.6 1.000 -56 8 0.00 0.00 0.036 0.9 782 2129 0 812 0 6.2 0.2 0.117 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 0 790 0 6.5 0.1 0.081 42 0.8
106 0.01 0.01 0.00 199.6 1.000 -56 7 0.00 0.00 0.036 1.1 807 2131 0 877 1 6.2 0.0 0.046 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 2127 0 807 0 7.0 -0.1 0.093 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 2080 0 817 0 6.9 0.1 0.075 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 2109 0 835 1 6.4 -0.1 0.065 43 2.8
110 0.00 0.00 0.00 199.6 1.000 -55 6 0.00 0.00 0.039 1.1 761 2123 0 845 0 7.2 -0.0 0.041 40 0.7
111 0.00 0.00 -0.00 199.6 1.000 -57 7 0.00 0.00 0.042 1.1 799 2116 0 828 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 0.036 1.0 773 2122 0 815 1 6.7 0.1 0.082 44 0.9
113 0.01 0.00 0.00 199.6 1.000 -56 7 0.00 0.00 0.037 1.0 817 2076 0 823 0 6.2 -0.0 0.031 59 0.7
114 0.01 0.00 0.00 199.6 1.000 -56 7 0.00 0.00 0.038 1.2 795 2111 0 789 2 6.3 0.0 0.064 48 1.6
115 0.01 0.00 -0.00 199.6 1.000 -56 7 0.00 0.00 0.038 1.0 797 2141 0 858 0 6.3 0.1 0.046 47 0.6
116 0.01 0.00 -0.00 199.6 1.000 -57 6 0.00 0.00 0.043 1.0 769 2114 0 853 0 5.8 -0.2 0.065 32 1.1
117 0.00 0.00 -0.00 199.6 1.000 -57 6 0.00 0.00 0.046 1.2 810 2101 0 818 0 6.9 0.1 0.035 28 0.5
118 0.01 0.00 0.00 199.6 1.000 -57 6 0.00 0.00 0.045 1.2 811 2109 0 790 0 6.2 0.1 0.085 30 0.7
119 0.01 0.00 0.00 199.6 1.000 -56 6 0.00 0.00 0.034 1.0 798 2078 0 807 1 6.1 0.1 0.073 40 0.6
120 0.00 0.00 -0.00 199.6 1.000 -56 6 0.00 0.00 0.042 1.0 791 2108 0 790 0 6.3 -0.1 0.102 39 0.8
121 0.00 0.00 0.00 199.6 1.000 -56 6 0.00 0.00 0.040 0.9 773 2183 0 809 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 0.042 1.1 764 2202 0 810 2 6.7 0.1 0.054 36 0.6
123 0.02 0.01 0.00 199.6 1.000 -56 6 0.00 0.00 0.041 1.1 784 2155 0 848 0 6.1 -0.1 0.062 34 0.5
124 0.01 0.00 -0.00 199.6 1.000 -56 7 0.00 0.00 0.038 1.1 758 2190 0 860 0 6.0 -0.0 0.048 55 1.3
125 0.02 0.00 -0.00 199.6 1.000 -55 7 0.00 0.00 0.049 1.2 727 2226 0 833 0 6.6 0.0 0.131 34 1.2
126 0.00 0.00 0.00 199.6 1.000 -55 6 0.00 0.00 0.043 1.1 748 2196 0 825 0 6.0 0.0 0.050 44 0.9
127 0.00 0.00 0.00 199.6 1.000 -55 5 0.00 0.00 0.044 1.1 755 2198 0 802 0 6.7 0.2 0.037 44 1.2
128 0.00 0.00 0.00 199.6 1.000 -55 5 0.00 0.00 0.050 1.0 733 2239 0 856 0 6.4 0.2 0.156 32 0.6
129 0.00 0.00 -0.00 199.6 1.000 -56 5 0.00 0.00 0.043 1.1 716 2272 0 875 1 6.8 0.0 0.042 24 0.6
130 0.00 0.00 -0.00 199.6 1.000 -56 4 0.00 0.00 0.048 1.1 668 2342 0 869 0 6.6 -0.1 0.061 20 0.7
131 0.00 0.00 -0.00 199.6 1.000 -56 4 0.00 0.00 0.040 1.1 688 2345 0 874 0 6.5 -0.2 0.064 30 0.5
132 0.00 0.00 -0.00 199.6 1.000 -56 4 0.00 0.00 0.049 1.2 703 2320 0 876 0 7.2 -0.0 0.070 24 2.1
133 0.00 0.00 -0.00 199.6 1.000 -55 4 0.00 0.00 0.050 1.1 706 2300 0 901 0 6.2 0.0 0.128 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 0 857 1 6.6 0.0 0.081 36 5.0
135 0.00 -0.01 0.00 199.6 1.000 -55 4 0.00 0.00 0.044 1.2 701 2313 0 890 0 6.6 0.2 0.056 22 1.1
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 0.024 382
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 0.022 379
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
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 0.021 354
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
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 0.020 339
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 0.019 341
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
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 0.019 347
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 0.019 359
sds 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 0.019 342
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
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 0.019 340
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
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 0.019 343
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 0.021 351
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 0.022 345
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
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 0.023 354
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 -0.01 -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 0.020 352
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
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 0.022 371
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 0.023 368
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 0.024 363
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 0.024 371
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 0.024 381
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
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 0.023 385
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
119 0.15 -0.02 -0.04 79.25 79.25 37.11 90.00 90.00 90.00 0.41 0.00 0.00 0.022 375
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 0.024 352
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
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 0.024 377
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 -0.03 -0.03 79.25 79.25 37.11 90.00 90.00 90.00 0.42 0.00 0.00 0.025 393
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
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 0.026 403
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 0.026 401
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
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 0.025 393
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
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 0.024 403
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 0.023 398
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
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 0.026 420
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
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 0.024 406
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
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 0.025 401
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
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 0.023 386
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
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 0.025 395
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
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 0.025 378
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
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 0.01 0.00 0.00 199.6 1.000 -55 4 0.00 0.00 0.050 1.3 707 2320 0 893 3 6.5 0.1 0.061 38 3.8
137 0.02 0.00 0.00 199.6 1.000 -54 4 0.00 0.00 0.048 1.1 648 2347 0 864 1 6.4 0.1 0.071 30 0.7
138 0.02 0.01 0.00 199.6 1.000 -54 4 0.00 0.00 0.053 1.0 679 2371 1 875 2 6.2 0.0 0.056 20 1.2
139 0.00 0.00 -0.00 199.6 1.000 -54 5 0.00 0.00 0.049 0.9 701 2389 0 865 0 6.5 0.1 0.089 18 0.9
140 0.00 0.00 0.00 199.6 1.000 -54 5 0.00 0.00 0.047 1.1 655 2348 0 881 1 5.4 -0.0 0.033 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 0.025 385
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
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 0.026 403
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 -0.01 79.25 79.25 37.11 90.00 90.00 90.00 0.47 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
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 0.028 400
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
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 0.029 409
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 20 profiles the correlation coefficient with the central profile is less than 0.5.
Smallest correlation coefficient is -0.42
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 0.16 1 4 0.50 1 5 -0.10 1 6 0.39
1 20 0.50 1 24 0.06
*** 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: