Generate File TITLE: Raw data wedge from BL501_2016_10_26_pin2_2_00###.img 1 to 100 at lambda= 0.9774
Crystal Identifier: BL501_2016_10_26_pin2_2_0
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
1 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.3 1375 1208 15 90 2 30.3 0.0 0.023 52 9.1
2 0.00 0.00 0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1352 1176 14 82 5 30.2 0.0 0.021 60 4.6
3 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1297 1285 11 128 5 29.8 0.0 0.021 60 6.8
4 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1356 1289 18 103 3 29.9 0.0 0.020 73 9.0
5 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1342 1216 17 98 3 29.5 0.0 0.021 49 3.2
6 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1339 1220 10 95 0 29.4 0.0 0.020 68 5.8
7 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1332 1235 18 84 3 29.9 0.0 0.021 56 3.7
8 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1333 1271 18 101 6 30.1 0.0 0.020 70 4.0
9 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1301 1257 15 104 2 29.5 0.0 0.018 56 5.2
10 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1358 1250 11 98 0 29.7 0.0 0.024 72 5.4
11 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1330 1280 16 96 3 29.7 0.0 0.026 74 6.1
12 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1314 1307 15 102 2 29.8 0.0 0.023 62 5.0
13 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1266 1305 19 103 4 30.3 0.0 0.022 73 7.7
14 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1336 1242 13 104 0 29.8 0.0 0.018 61 4.1
15 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.023 1.4 1356 1284 12 114 4 29.7 0.0 0.024 481 4.6
16 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.023 1.3 1229 1387 15 105 6 30.2 0.0 0.027 78 4.8
17 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1328 1310 8 97 6 29.1 0.0 0.024 61 6.6
18 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.3 1335 1241 21 108 2 28.8 0.0 0.028 71 7.2
19 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1287 1282 11 106 1 30.4 0.0 0.017 72 5.3
20 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1308 1341 14 126 2 30.4 0.0 0.022 80 6.4
21 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1279 1311 10 98 4 29.6 0.0 0.028 70 11.8
22 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1329 1306 13 101 2 29.1 0.0 0.018 59 4.3
23 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1335 1290 17 107 5 30.4 0.0 0.026 70 6.0
24 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1306 1254 12 96 4 29.6 0.0 0.019 57 3.7
25 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1311 1232 12 116 5 29.2 0.0 0.026 92 5.6
26 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1352 1281 17 104 4 29.8 0.0 0.019 80 3.5
27 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1305 1315 13 124 2 28.9 0.0 0.014 78 3.0
28 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1293 1327 14 112 0 29.7 0.0 0.021 74 5.3
29 0.00 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.021 1.3 1312 1300 6 115 6 30.3 0.0 0.030 81 7.7
30 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1311 1282 11 96 3 29.7 0.0 0.018 86 3.8
31 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1328 1300 16 100 3 29.5 0.0 0.030 68 12.2
32 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1315 1270 21 103 2 30.3 0.0 0.030 56 10.4
33 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1338 1247 18 113 3 28.9 0.0 0.032 91 7.6
34 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1351 1242 19 93 2 29.5 0.0 0.032 57 5.1
35 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1313 1268 10 107 5 29.2 0.0 0.029 68 4.4
36 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1352 1273 11 97 1 29.0 0.0 0.027 56 9.1
37 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1339 1265 14 97 2 29.6 0.0 0.048 71 12.7
38 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1324 1287 16 110 1 28.5 0.0 0.027 69 7.1
39 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1300 1261 11 101 5 28.8 0.0 0.056 48 14.0
40 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.1 1368 1185 9 89 4 29.6 0.0 0.050 62 10.8
41 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1357 1211 13 92 1 29.0 0.0 0.033 58 9.8
42 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.1 1387 1209 16 105 1 28.5 0.0 0.032 59 4.6
43 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.1 1341 1197 12 112 5 28.6 0.0 0.030 44 7.0
44 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.1 1371 1217 16 109 2 28.5 0.0 0.021 54 6.2
45 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1342 1260 11 113 2 29.4 0.0 0.033 78 6.4
RESULTS OF POSTREFINEMENT
3 successive pairs of images will be used
Each image will have its own missetting angles
Initial cell parameters 78.807 78.807 36.972 90.00 90.00 90.00
Initial missetting angles 0.053 -0.087 -0.017
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.206 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.011 266
sds 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.011 541
sds 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 835
sds 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 859
sds 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 839
sds 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 0.05 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 833
sds 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 0.04 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 821
sds 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 0.04 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 859
sds 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 0.04 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 876
sds 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 0.04 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 891
sds 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 0.04 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 914
sds 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 0.03 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.014 929
sds 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 0.03 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.014 931
sds 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 0.03 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.014 864
sds 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 0.03 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 891
sds 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 0.03 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 910
sds 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 0.02 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 927
sds 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 0.02 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 871
sds 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 0.02 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 870
sds 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 0.02 -0.09 -0.02 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 905
sds 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 0.01 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 933
sds 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 0.01 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 927
sds 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 0.01 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.013 892
sds 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 0.01 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 880
sds 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 0.00 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 835
sds 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 0.00 -0.09 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 847
sds 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 0.00 -0.08 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.011 839
sds 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 -0.00 -0.08 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 858
sds 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 -0.00 -0.08 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 869
sds 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 -0.00 -0.08 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 888
sds 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 -0.01 -0.08 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 871
sds 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 -0.01 -0.08 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 857
sds 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 -0.01 -0.08 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.22 0.00 0.00 0.012 813
sds 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 -0.01 -0.08 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 829
sds 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 -0.02 -0.08 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 826
sds 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 -0.02 -0.07 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 861
sds 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 -0.02 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 838
sds 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 -0.02 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 865
sds 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 -0.02 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 828
sds 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 -0.03 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 819
sds 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 -0.03 -0.07 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 791
sds 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 -0.03 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 793
sds 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 -0.03 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 782
sds 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 -0.03 -0.07 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 779
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
46 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.3 1300 1261 12 121 5 30.0 0.0 0.016 22 3.5
47 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.017 1.2 1339 1249 13 111 2 30.2 0.0 0.043 36 11.4
48 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1323 1248 13 118 4 30.1 0.0 0.044 54 13.4
49 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.1 1352 1194 10 89 3 30.3 0.0 0.031 40 10.0
50 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1354 1162 15 102 2 29.4 0.0 0.018 40 7.2
51 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1363 1171 10 112 7 29.4 0.0 0.029 44 8.4
52 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1372 1213 11 124 3 30.2 0.0 0.036 50 7.5
53 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1385 1234 16 122 2 29.7 0.0 0.030 66 11.2
54 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.1 1356 1226 13 106 5 30.2 0.0 0.049 69 19.9
55 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.016 1.1 1348 1200 10 110 3 30.0 0.0 0.028 30 8.4
56 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1348 1186 12 124 3 29.2 0.0 0.059 34 17.4
57 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1350 1180 14 104 1 29.8 0.0 0.061 42 15.3
58 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.1 1384 1145 8 114 2 30.1 0.0 0.073 30 17.2
59 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1371 1185 13 121 4 28.5 0.0 0.037 30 9.6
60 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1375 1215 12 106 3 29.9 0.0 0.030 50 9.3
61 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1360 1156 8 123 5 29.2 0.0 0.020 26 2.4
62 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.1 1427 1134 11 123 4 29.6 0.0 0.018 31 7.0
63 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1363 1159 14 110 3 29.0 0.0 0.024 34 2.9
64 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1394 1181 13 132 4 29.4 0.0 0.030 46 9.7
65 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.3 1359 1118 9 112 3 29.6 0.0 0.022 36 7.8
66 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.1 1411 1127 16 123 4 28.9 0.0 0.044 50 6.7
67 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1423 1122 12 111 4 28.8 0.0 0.031 42 8.5
68 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1331 1134 14 118 5 29.3 0.0 0.018 32 6.3
69 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1397 1187 17 110 4 28.4 0.0 0.032 34 9.4
70 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1379 1141 16 130 4 28.8 0.0 0.035 22 7.4
71 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1343 1134 9 114 5 30.3 0.0 0.013 48 5.0
72 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.017 1.2 1530 1123 10 130 4 28.5 0.0 0.017 38 3.1
73 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1301 1141 8 112 0 29.6 0.0 0.027 30 7.9
74 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.3 1293 1217 13 123 1 28.7 0.0 0.019 46 3.8
75 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1507 1141 10 126 2 29.4 0.0 0.046 32 13.5
76 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1318 1090 11 124 2 28.4 0.0 0.026 42 3.3
77 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1375 1185 15 107 2 28.1 0.0 0.015 56 2.5
78 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1416 1234 16 112 3 29.5 0.0 0.030 70 5.5
79 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1306 1140 6 112 0 27.7 0.0 0.016 68 3.8
80 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.2 1406 1084 8 106 0 28.0 0.0 0.022 54 3.7
81 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1431 1167 18 109 1 29.8 0.0 0.013 68 3.0
82 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1428 1138 11 125 1 29.2 0.0 0.036 74 2.3
83 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.020 1.3 1322 1107 16 122 2 28.0 0.0 0.020 62 5.0
84 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.4 1343 1171 15 121 3 28.5 0.0 0.020 80 4.3
85 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.2 1423 1149 11 117 4 30.2 0.0 0.018 97 2.1
86 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.1 1486 1136 15 137 2 29.6 0.0 0.025 89 11.7
87 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1300 1141 14 126 0 27.4 0.0 0.018 82 2.5
88 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1315 1190 9 116 1 27.7 0.0 0.016 80 1.7
89 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1380 1161 17 138 1 28.5 0.0 0.011 86 3.0
90 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1412 1119 10 106 4 28.9 0.0 0.019 106 3.3
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
46 -0.04 -0.07 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 817
sds 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 -0.04 -0.06 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 815
sds 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 -0.04 -0.06 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 817
sds 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 -0.04 -0.06 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 795
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
50 -0.04 -0.06 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 809
sds 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 -0.05 -0.06 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 775
sds 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 -0.05 -0.06 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 768
sds 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 -0.05 -0.06 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 755
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
54 -0.05 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 764
sds 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 -0.05 -0.05 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 765
sds 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 -0.06 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 753
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
57 -0.06 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 754
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
58 -0.06 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 731
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
59 -0.06 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 752
sds 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 -0.06 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 778
sds 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 -0.04 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 802
sds 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 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 784
sds 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 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 736
sds 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 -0.07 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 716
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
65 -0.07 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 717
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
66 -0.07 -0.03 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 701
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
67 -0.07 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 712
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
68 -0.07 -0.03 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 723
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
69 -0.07 -0.02 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 772
sds 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 -0.08 -0.02 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 775
sds 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 -0.08 -0.02 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 763
sds 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 -0.08 -0.02 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 750
sds 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 -0.08 -0.02 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 699
sds 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 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 749
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
75 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 751
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
76 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 743
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
77 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 704
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
78 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 740
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
79 -0.08 -0.00 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 810
sds 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 -0.09 -0.00 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 782
sds 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 -0.09 0.00 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 718
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
82 -0.09 0.00 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 706
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
83 -0.09 0.00 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 725
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
84 -0.09 0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 746
sds 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 -0.09 0.01 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 744
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
86 -0.09 0.01 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 743
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
87 -0.09 0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 745
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
88 -0.09 0.02 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 707
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
89 -0.09 0.02 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 730
sds 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 -0.09 0.02 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.010 699
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.1A)
91 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.2 1458 1162 19 119 4 27.7 0.0 0.022 106 5.9
92 -0.02 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1362 1159 15 126 2 26.6 0.0 0.021 114 4.1
93 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.4 1343 1138 14 125 0 25.9 0.0 0.019 98 4.2
94 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1362 1154 10 118 1 27.0 0.0 0.019 126 2.3
95 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.3 1366 1125 15 122 1 26.6 0.0 0.030 158 3.5
96 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1391 1104 15 100 0 26.9 0.0 0.020 162 4.3
97 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.4 1412 1130 17 103 1 27.3 0.0 0.019 160 3.3
98 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.4 1398 1170 18 125 3 27.5 0.0 0.022 230 3.6
99 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1365 1200 19 122 0 27.3 0.0 0.024 214 4.3
100 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1408 1140 19 96 4 27.7 0.0 0.025 274 6.3
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
91 -0.09 0.02 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.010 738
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
92 -0.09 0.02 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 735
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
93 -0.09 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 762
sds 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 -0.09 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 773
sds 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 -0.10 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 756
sds 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 -0.10 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.012 752
sds 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 -0.10 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 760
sds 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 -0.10 0.04 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.012 733
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
99 -0.10 0.04 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.011 766
sds 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 -0.10 0.04 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.19 0.00 0.00 0.010 735
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 messages ***
There are no SERIOUS problems.
*** THE FOLLOWING ARE MAINLY FOR INFORMATION ***
================================================
In some cases it may be possible to change the processing to eliminate
some of these warnings.
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 46.4
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 0 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
The fraction of the profile outside the peak for these profile is given below
Refined detector parameters:
Post refinement:
Elven plots: