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 1.2A)
1 0.00 0.00 0.00 200.3 1.000 -2 -3 0.00 0.00 0.021 1.3 1375 1208 15 87 2 30.3 3.8 0.024 52 9.3
2 0.00 0.00 0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1352 1175 14 81 5 30.2 3.0 0.022 60 4.7
3 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1300 1279 11 125 5 29.9 4.2 0.023 60 7.3
4 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1361 1284 18 102 3 29.9 3.5 0.021 77 10.2
5 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1342 1216 17 96 3 29.5 5.8 0.021 49 3.2
6 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.5 1339 1220 10 95 0 29.4 3.9 0.017 68 5.3
7 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1332 1235 18 82 3 29.9 3.6 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 1332 1271 18 104 6 30.1 4.5 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 1300 1257 15 106 2 29.6 4.0 0.015 56 4.2
10 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1356 1252 11 97 0 29.7 4.6 0.024 70 5.2
11 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1329 1281 16 96 3 29.7 4.2 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 1306 15 103 2 29.8 3.3 0.021 62 4.2
13 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1265 1306 19 106 4 30.3 3.5 0.021 73 7.3
14 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1336 1242 13 105 0 29.8 5.1 0.018 61 4.1
15 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1354 1286 12 115 3 29.7 3.4 0.024 479 4.6
16 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.023 1.3 1229 1388 15 104 6 30.2 3.2 0.028 78 4.8
17 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1327 1312 8 97 6 29.1 4.5 0.027 61 7.6
18 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.022 1.4 1335 1241 21 106 2 28.8 3.4 0.027 71 6.8
19 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.4 1288 1281 11 107 1 30.4 5.5 0.018 72 5.4
20 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1307 1345 14 126 2 30.4 3.5 0.023 80 6.8
21 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1280 1310 10 98 4 29.6 3.2 0.029 70 12.1
22 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1329 1307 13 100 2 29.1 5.0 0.016 59 4.2
23 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1335 1289 17 107 5 30.4 1.7 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 95 4 29.6 2.8 0.019 57 3.7
25 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.2 1312 1231 12 113 5 29.2 5.5 0.026 92 5.5
26 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1352 1281 17 102 4 29.9 3.9 0.018 80 3.2
27 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1305 1314 13 124 2 28.9 4.4 0.014 78 3.1
28 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1294 1326 14 112 0 29.7 3.5 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 6 114 6 30.3 3.5 0.030 81 7.7
30 0.00 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.3 1311 1282 11 96 3 29.7 4.4 0.018 86 3.8
31 0.00 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.2 1327 1301 16 99 3 29.5 2.9 0.028 68 11.7
32 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1315 1270 21 102 2 30.3 3.8 0.030 56 10.2
33 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1338 1247 18 112 3 28.9 3.5 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 1243 19 93 2 29.5 4.2 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 6 29.2 4.0 0.029 68 4.4
36 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.2 1352 1273 11 98 1 29.0 4.3 0.027 56 9.0
37 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1339 1265 14 98 2 29.6 3.3 0.048 71 13.0
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 4.5 0.024 69 6.6
39 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1301 1260 11 101 5 28.8 4.4 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 1186 9 89 4 29.6 3.3 0.050 62 10.8
41 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.2 1357 1211 13 92 2 29.0 4.8 0.031 56 9.0
42 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1386 1209 16 105 1 28.5 3.3 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 12 111 5 28.6 4.2 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 3.3 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 4.2 0.034 78 6.6
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 0.012 266
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 0.011 540
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
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 0.012 836
sds 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 0.012 860
sds 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 0.012 841
sds 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 0.013 834
sds 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 0.013 823
sds 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 0.013 861
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
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 0.012 877
sds 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 0.013 892
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
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 0.013 915
sds 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 0.014 931
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
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 0.014 932
sds 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 0.014 865
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
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 0.013 911
sds 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 0.013 928
sds 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 0.013 872
sds 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 0.013 906
sds 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 0.013 891
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
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 0.011 835
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 0.012 846
sds 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 0.011 837
sds 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 0.012 856
sds 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 0.012 868
sds 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 0.012 858
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
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 0.012 825
sds 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 -0.08 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 860
sds 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 0.012 837
sds 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 0.012 827
sds 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 0.012 818
sds 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 0.012 790
sds 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 1.2A)
46 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1300 1261 12 119 5 30.2 3.7 0.020 22 4.3
47 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.2 1335 1251 13 108 2 30.5 2.9 0.042 36 11.5
48 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.2 1324 1249 13 120 4 30.3 4.2 0.048 54 14.1
49 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.1 1353 1200 10 88 5 30.6 4.4 0.030 40 11.0
50 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.2 1351 1171 15 105 2 29.6 4.1 0.023 40 10.8
51 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1355 1188 10 115 6 29.7 3.8 0.029 46 9.0
52 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.2 1367 1224 11 125 3 30.4 2.8 0.036 50 7.5
53 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1377 1248 16 124 3 29.8 3.4 0.031 66 11.3
54 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.018 1.0 1346 1253 13 107 6 30.5 4.2 0.043 67 19.0
55 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.017 1.1 1325 1234 10 115 3 30.2 3.4 0.031 24 9.6
56 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1328 1223 12 133 3 29.6 4.4 0.050 32 14.6
57 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.020 1.2 1335 1214 14 109 1 30.1 2.8 0.061 40 14.2
58 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.0 1369 1177 8 117 2 30.3 3.9 0.075 30 17.9
59 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.018 1.1 1360 1216 13 126 4 28.7 3.0 0.036 28 9.8
60 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1358 1248 12 108 2 30.0 3.7 0.029 50 9.1
61 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1341 1200 8 122 5 29.5 4.1 0.018 26 2.2
62 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1408 1169 11 129 4 29.9 3.0 0.023 29 10.0
63 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1345 1189 14 115 3 29.2 4.0 0.022 30 2.6
64 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1383 1223 13 140 5 29.6 3.8 0.029 46 9.5
65 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.020 1.2 1326 1177 9 112 2 29.9 4.5 0.021 36 8.2
66 -0.01 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.019 1.1 1387 1179 16 129 4 29.1 3.6 0.041 46 6.2
67 0.00 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.1 1401 1157 12 113 3 28.9 4.3 0.030 36 9.0
68 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.1 1316 1175 14 124 4 29.6 2.7 0.020 32 5.2
69 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1376 1230 17 115 3 28.6 3.4 0.029 30 9.5
70 -0.01 0.00 -0.00 200.3 1.000 -3 -3 0.00 0.00 0.019 1.2 1359 1178 16 127 3 28.9 2.9 0.048 22 11.3
71 -0.01 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1325 1176 9 122 3 30.5 2.6 0.015 46 4.2
72 0.00 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.020 1.2 1506 1163 10 134 4 28.7 2.4 0.016 38 3.0
73 -0.01 0.00 -0.00 200.3 1.000 -3 -2 0.00 0.00 0.021 1.2 1276 1191 8 116 0 29.7 3.4 0.020 28 5.8
74 0.00 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.2 1275 1262 13 126 1 29.1 3.4 0.020 44 4.0
75 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.2 1491 1176 10 129 2 29.5 4.2 0.043 32 13.1
76 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.022 1.3 1291 1138 11 129 1 28.5 2.9 0.026 40 3.5
77 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1350 1234 15 118 3 28.3 1.0 0.015 54 2.7
78 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.018 1.2 1394 1287 16 127 3 29.7 3.1 0.027 70 5.2
79 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.2 1273 1194 6 110 1 28.0 1.5 0.018 66 4.1
80 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1381 1148 8 118 0 28.2 3.3 0.022 52 3.6
81 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.2 1407 1217 18 112 2 30.1 2.2 0.015 68 3.4
82 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.021 1.3 1402 1186 11 127 2 29.5 4.5 0.037 72 2.5
83 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.022 1.3 1301 1151 16 118 2 28.2 2.8 0.024 58 4.0
84 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.021 1.3 1328 1205 15 121 2 28.7 5.0 0.021 74 4.8
85 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.2 1400 1195 11 126 4 30.4 4.9 0.018 97 2.1
86 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.1 1459 1190 15 145 2 29.8 2.8 0.023 87 11.6
87 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.021 1.2 1274 1198 14 124 1 27.6 5.3 0.017 78 2.2
88 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.2 1295 1226 9 119 1 27.9 1.8 0.017 78 1.8
89 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1360 1205 17 148 1 28.7 2.5 0.013 86 3.3
90 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.2 1391 1172 9 109 3 29.1 2.0 0.018 104 3.2
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
46 -0.04 -0.07 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
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 0.012 824
sds 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 0.012 833
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
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 0.012 821
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
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 0.012 832
sds 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 -0.04 -0.06 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 798
sds 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 0.013 792
sds 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 -0.05 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
54 -0.05 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 797
sds 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 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.011 795
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
56 -0.06 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.011 780
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
57 -0.06 -0.05 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.010 775
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
58 -0.06 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 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
59 -0.06 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.011 769
sds 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 0.21 0.00 0.00 0.012 800
sds 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 0.21 0.00 0.00 0.012 827
sds 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 0.21 0.00 0.00 0.012 812
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
63 -0.06 -0.04 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 757
sds 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 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 736
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
65 -0.07 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 742
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
66 -0.07 -0.03 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 730
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
67 -0.07 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 746
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
68 -0.07 -0.03 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 746
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
69 -0.07 -0.02 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
70 -0.07 -0.02 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 790
sds 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 -0.07 -0.02 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 777
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
72 -0.08 -0.02 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 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
73 -0.08 -0.02 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.013 720
sds 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 0.21 0.00 0.00 0.012 772
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
75 -0.08 -0.01 0.00 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
76 -0.08 -0.01 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 772
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
77 -0.08 -0.01 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 739
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
78 -0.08 -0.00 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 780
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
79 -0.08 -0.00 0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 856
sds 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 -0.08 -0.00 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 830
sds 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 0.21 0.00 0.00 0.012 755
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
82 -0.09 0.00 0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.21 0.00 0.00 0.012 728
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
83 -0.09 0.01 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 748
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
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 0.010 772
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
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 0.010 768
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
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 0.011 765
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
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 0.012 774
sds 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 0.012 730
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
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 0.012 757
sds 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 0.20 0.00 0.00 0.010 724
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 1.2A)
91 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.2 1433 1211 18 126 4 27.7 3.9 0.022 102 6.0
92 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1330 1206 15 129 2 26.6 3.9 0.021 112 4.2
93 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1322 1184 14 128 0 25.9 1.4 0.019 92 4.3
94 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.3 1336 1202 10 120 1 27.1 3.9 0.020 122 2.7
95 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.020 1.3 1344 1167 15 126 1 26.6 2.6 0.029 154 2.8
96 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.3 1365 1153 15 103 0 26.9 2.2 0.020 156 4.2
97 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.4 1396 1169 17 111 1 27.4 3.2 0.019 160 3.3
98 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.020 1.4 1383 1199 18 125 2 27.5 3.5 0.022 230 3.6
99 -0.01 0.00 -0.00 200.3 1.000 -2 -2 0.00 0.00 0.019 1.3 1357 1221 19 125 0 27.4 1.8 0.024 214 4.2
100 -0.01 0.00 -0.00 200.3 1.000 -2 -3 0.00 0.00 0.019 1.3 1397 1162 19 99 4 27.7 3.0 0.024 272 6.0
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 0.20 0.00 0.00 0.011 767
sds 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 0.20 0.00 0.00 0.011 757
sds 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 0.20 0.00 0.00 0.011 779
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
94 -0.09 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 784
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
95 -0.10 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.010 760
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
96 -0.10 0.03 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.012 758
sds 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 0.20 0.00 0.00 0.012 762
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
98 -0.10 0.04 -0.01 78.81 78.81 36.97 90.00 90.00 90.00 0.20 0.00 0.00 0.011 734
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
99 -0.10 0.04 -0.00 78.81 78.81 36.97 90.00 90.00 90.00 0.20 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 0.20 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: