Generate File TITLE: Raw data wedge from badsignal_1_###.img 1 to 100 at lambda= 0.979725
Crystal Identifier: badsignal_1
*** 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 2.0A)
1 0.00 0.00 0.00 250.1 1.000 -4 -1 0.00 0.00 0.031 0.1 179 5298 1 1048 8 21.5 0.4 0.153 16 1.1
2 0.00 0.00 0.01 250.1 1.000 6 -2 0.00 0.00 0.056 0.2 211 5248 2 1050 9 23.6 3.3 0.028 42 1.4
3 0.00 0.00 0.00 250.1 1.000 -3 -6 0.00 0.00 0.035 0.2 102 5514 2 1145 7 25.2 0.4 0.071 12 1.3
4 0.00 0.00 0.00 250.1 1.000 -2 4 0.00 0.00 0.050 0.1 110 5523 2 1128 7 45.8 0.3 0.010 8 1.7
5 0.00 0.00 0.00 250.1 1.000 -1 0 0.00 0.00 0.042 0.1 120 5499 1 1161 12 22.6 0.3 0.104 6 2.2
6 -0.01 0.00 -0.01 250.1 1.000 -7 1 0.00 0.00 0.024 0.2 115 5490 0 1112 6 24.6 0.3 0.000 0 0.0
7 0.00 0.00 0.01 250.1 1.000 9 -1 0.00 0.00 0.049 0.2 141 5433 0 1118 5 20.9 0.3 0.370 4 1.5
8 0.01 0.00 0.00 250.1 1.000 5 3 0.00 0.00 0.029 0.1 162 5386 0 1090 5 23.3 0.3 0.051 8 1.0
9 0.00 0.00 0.00 250.1 1.000 -6 0 0.00 0.00 0.056 0.2 132 5395 1 1121 5 22.7 -2.6 0.111 4 0.7
10 0.00 0.00 -0.01 250.1 1.000 -1 3 0.00 0.00 0.060 0.2 125 5379 0 1134 3 20.3 0.4 0.000 0 0.0
RESULTS OF POSTREFINEMENT
3 successive pairs of images will be used
Each image will have its own missetting angles
Initial cell parameters 78.333 78.333 243.197 90.00 90.00 120.00
Initial missetting angles 0.001 0.001 -0.015
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.766 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.042 587
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
3 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.047 1198
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.049 1809
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.054 1893
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 1921
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1994
sds 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 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1945
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1940
sds 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 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 1895
sds 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 2.0A)
11 0.01 -0.01 0.00 250.1 1.000 1 6 0.00 0.00 0.054 0.2 154 5461 0 1099 3 22.5 0.4 0.030 4 1.4
12 0.00 0.00 -0.01 250.1 1.000 -3 2 0.00 0.00 0.047 0.2 109 5384 0 1097 9 23.4 0.3 0.005 2 0.4
13 0.00 0.00 0.01 250.1 1.000 0 3 0.00 0.00 0.048 0.1 156 5432 0 1124 3 20.9 0.3 0.016 2 0.6
14 0.00 0.00 -0.01 250.1 1.000 -5 4 0.00 0.00 0.053 0.3 142 5413 0 1111 6 23.1 0.2 0.018 4 1.0
15 0.00 0.00 0.01 250.1 1.000 1 1 0.00 0.00 0.061 0.2 136 5496 0 1137 15 25.6 0.3 0.000 0 0.0
16 0.00 0.00 0.00 250.2 1.000 5 -3 0.00 0.00 0.048 0.3 134 5413 0 1105 7 26.9 0.3 0.000 0 0.0
17 0.01 0.01 0.00 250.1 1.000 5 2 0.00 0.00 0.040 0.6 122 5333 0 1074 8 16.2 0.3 0.000 0 0.0
18 0.00 0.00 0.01 250.1 1.000 -2 6 0.00 0.00 0.055 0.2 180 5395 0 1071 3 18.8 0.3 0.038 4 0.5
19 -0.01 -0.01 0.00 250.0 1.000 -5 6 0.00 0.00 0.062 0.3 163 5292 0 1147 4 18.4 0.3 0.000 0 0.0
20 0.00 0.00 -0.01 250.1 1.000 -3 3 0.00 0.00 0.051 0.2 134 5447 0 1134 5 30.2 0.3 0.091 2 0.1
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
11 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1925
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1989
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1997
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2046
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1969
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2024
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 1898
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 1950
sds 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 0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1918
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.055 1973
sds 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 2.0A)
21 -0.01 0.00 -0.01 250.1 1.000 -5 0 0.00 0.00 0.032 0.2 165 5484 0 1095 3 22.8 0.3 0.023 6 0.4
22 -0.01 0.00 0.00 250.1 1.000 -8 -6 0.00 0.00 0.042 0.2 164 5303 0 1156 3 20.6 0.3 0.053 2 0.2
23 -0.01 0.00 0.01 250.1 1.000 -6 -2 0.00 0.00 0.048 0.2 148 5287 0 1119 6 24.9 0.3 0.000 0 0.0
24 0.00 0.00 0.00 250.1 1.000 -4 2 0.00 0.00 0.058 0.1 141 5439 0 1140 4 29.3 0.3 0.000 0 0.0
25 0.00 0.00 0.00 250.1 1.000 -6 4 0.00 0.00 0.036 0.3 162 5522 0 1129 5 33.2 0.3 0.000 0 0.0
26 0.00 0.00 0.01 250.1 1.000 0 0 0.00 0.00 0.048 0.2 131 5465 0 1112 3 21.7 0.3 0.000 0 0.0
27 0.00 0.00 0.00 250.1 1.000 0 1 0.00 0.00 0.065 0.2 160 5238 0 1072 5 25.6 0.2 0.246 2 2.2
28 0.00 0.00 0.00 250.1 1.000 -1 5 0.00 0.00 0.036 0.3 173 5231 0 1051 7 23.2 0.3 0.000 0 0.0
29 -0.01 0.00 0.00 250.1 1.000 -5 4 0.00 0.00 0.048 0.1 182 5266 2 1047 11 18.8 0.5 0.000 0 0.0
30 0.00 0.00 0.00 250.1 1.000 0 7 0.00 0.00 0.024 0.3 184 5287 1 1027 12 21.8 2.1 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
21 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1970
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.052 1997
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.054 1961
sds 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 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1913
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.059 1900
sds 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 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2040
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.053 1971
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.051 1875
sds 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 0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 1803
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1863
sds 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 2.0A)
31 0.02 0.00 0.00 250.1 1.000 6 9 0.00 0.00 0.054 0.3 194 5318 0 1069 13 20.8 0.3 0.048 6 1.6
32 0.01 0.00 -0.01 250.1 1.000 3 -1 0.00 0.00 0.025 0.2 172 5404 1 1077 12 27.0 0.4 0.000 0 0.0
33 0.00 0.00 0.00 250.1 1.000 -4 0 0.00 0.00 0.045 0.2 137 5424 2 1076 10 28.0 0.3 0.000 0 0.0
34 0.00 0.00 -0.01 250.1 1.000 -4 6 0.00 0.00 0.054 0.1 135 5405 2 1045 18 25.1 0.3 0.019 58 1.1
35 0.00 0.00 0.01 250.1 1.000 -1 3 0.00 0.00 0.067 0.2 148 5418 2 1070 11 22.0 0.4 0.008 2 0.3
36 0.00 0.00 0.00 250.1 1.000 -4 0 0.00 0.00 0.039 0.1 152 5384 1 1091 10 20.4 0.3 0.091 2 0.7
37 0.00 0.00 -0.01 250.1 1.000 -2 -5 0.00 0.00 0.048 0.2 159 5329 0 1079 9 22.9 0.4 0.000 0 0.0
38 0.00 0.00 0.01 250.1 1.000 -4 -2 0.00 0.00 0.025 0.3 155 5303 0 1090 12 22.8 0.4 0.000 0 0.0
39 0.01 0.00 0.00 250.1 1.000 6 -2 0.00 0.00 0.050 0.2 162 5237 1 1118 13 19.5 0.3 0.000 0 0.0
40 -0.01 0.00 -0.01 250.1 1.000 -8 2 0.00 0.00 0.069 0.1 148 5384 1 1055 6 20.5 3.2 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
31 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.059 1914
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.059 1924
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.055 1926
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2000
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2055
sds 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 -0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2049
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1998
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 1960
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1925
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1887
sds 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 2.0A)
41 0.00 -0.01 -0.01 250.1 1.000 -1 2 0.00 0.00 0.040 0.1 148 5490 2 1107 7 24.6 0.3 0.000 0 0.0
42 0.00 0.00 0.00 250.1 1.000 2 2 0.00 0.00 0.059 0.2 171 5428 0 1039 7 21.2 0.3 0.197 2 0.7
43 0.00 0.00 0.00 250.1 1.000 -4 -1 0.00 0.00 0.047 0.1 157 5318 1 1068 3 23.6 0.3 0.000 0 0.0
44 0.00 0.00 0.01 250.1 1.000 3 2 0.00 0.00 0.031 0.2 146 5278 0 1110 5 21.0 0.4 0.000 0 0.0
45 -0.01 0.00 0.00 250.1 1.000 -9 -4 0.00 0.00 0.034 0.1 170 5471 0 1202 3 31.0 0.3 0.000 0 0.0
46 0.01 0.00 0.00 250.1 1.000 6 4 0.00 0.00 0.057 0.3 155 5444 0 1123 4 27.8 0.4 0.000 0 0.0
47 0.00 0.00 0.00 250.1 1.000 -5 2 0.00 0.00 0.032 0.2 150 5216 0 1126 4 25.9 0.3 0.000 0 0.0
48 0.00 0.00 0.00 250.1 1.000 -1 1 0.00 0.00 0.039 0.2 168 5423 0 1123 5 21.4 0.4 0.000 0 0.0
49 0.00 -0.01 -0.01 250.1 1.000 -2 3 0.00 0.00 0.031 0.2 161 5412 1 1076 7 24.9 0.4 0.000 0 0.0
50 0.02 0.00 0.00 250.1 1.000 5 -2 0.00 0.00 0.050 0.5 139 5341 1 1100 13 20.2 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
41 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 1940
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2009
sds 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 -0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2060
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1977
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 1940
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
46 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1946
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1951
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.059 1918
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1950
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1935
sds 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 2.0A)
51 0.00 0.00 0.00 250.1 1.000 -1 6 0.00 0.00 0.050 0.2 178 5407 0 1083 5 23.3 1.2 0.000 0 0.0
52 0.00 0.00 0.00 250.1 1.000 -8 4 0.00 0.00 0.030 0.2 129 5333 0 1077 6 27.2 0.3 0.000 0 0.0
53 0.01 0.00 0.01 250.1 1.000 5 4 0.00 0.00 0.053 0.2 202 5344 0 1112 5 19.8 0.2 0.052 2 0.3
54 0.00 0.00 0.00 250.1 1.000 -1 0 0.00 0.00 0.039 0.2 148 5349 2 1106 10 26.2 0.3 0.347 2 1.3
55 0.00 0.00 0.01 250.1 1.000 -2 1 0.00 0.00 0.065 0.2 181 5336 0 1051 7 23.5 0.3 0.028 2 0.5
56 0.00 0.00 -0.01 250.1 1.000 6 -3 0.00 0.00 0.042 0.2 144 5307 1 1104 4 23.5 0.3 0.000 0 0.0
57 0.00 0.00 0.00 250.1 1.000 -2 -2 0.00 0.00 0.043 0.1 172 5298 1 1064 7 17.6 0.4 0.000 0 0.0
58 0.00 0.00 0.00 250.0 1.000 -4 0 0.00 0.00 0.034 0.3 158 5427 0 1115 7 21.7 0.3 0.000 0 0.0
59 0.00 0.00 0.00 250.1 1.000 2 -1 0.00 0.00 0.051 0.2 153 5432 0 1088 8 20.7 0.3 0.085 2 0.5
60 0.00 0.00 -0.01 250.1 1.000 -2 0 0.00 0.00 0.031 0.1 136 5435 0 1070 4 22.6 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
51 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.054 2009
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.055 1981
sds 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 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.055 2058
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.055 1992
sds 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 0.00 -0.02 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1987
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1998
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.059 2011
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2009
sds 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 -0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1977
sds 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 -0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1979
sds 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 2.0A)
61 0.01 0.00 0.00 250.1 1.000 2 2 0.00 0.00 0.049 0.1 156 5420 0 1061 4 22.7 0.3 0.054 4 1.8
62 0.00 0.00 0.00 250.1 1.000 -5 0 0.00 0.00 0.016 0.1 137 5398 0 1122 6 25.0 0.4 0.058 2 0.2
63 0.00 0.00 0.00 250.1 1.000 -2 0 0.00 0.00 0.015 0.2 155 5380 1 1105 3 24.8 0.3 0.000 0 0.0
64 0.00 0.01 0.00 250.1 1.000 -2 -8 0.00 0.00 0.039 0.3 123 5386 0 1046 4 25.1 0.4 0.031 6 0.8
65 0.00 0.00 0.00 250.1 1.000 3 -3 0.00 0.00 0.030 0.2 166 5343 1 1044 4 21.8 0.3 0.028 2 0.5
66 -0.01 0.00 0.01 250.1 1.000 -8 2 0.00 0.00 0.047 0.3 163 5350 0 1119 7 22.2 0.4 0.042 2 0.2
67 0.01 0.00 -0.01 250.1 1.000 2 2 0.00 0.00 0.038 0.2 161 5420 0 1179 10 25.3 0.3 0.000 0 0.0
68 0.00 0.00 0.00 250.1 1.000 -2 1 0.00 0.00 0.064 0.2 155 5409 0 1083 4 24.0 0.2 0.000 0 0.0
69 0.01 0.00 0.01 250.1 1.000 2 -1 0.00 0.00 0.038 0.2 161 5422 1 1094 1 18.7 0.3 0.000 0 0.0
70 0.00 0.00 0.00 250.1 1.000 -3 3 0.00 0.00 0.049 0.2 151 5293 1 1063 3 23.7 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
61 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1990
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1962
sds 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 -0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1911
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1913
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1949
sds 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 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 1968
sds 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 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1909
sds 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 0.00 0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1883
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 1972
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2041
sds 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 2.0A)
71 0.01 0.02 0.01 250.1 1.000 2 -5 0.00 0.00 0.033 0.2 173 5331 0 1098 6 18.1 0.3 0.000 0 0.0
72 0.00 0.00 -0.01 250.1 1.000 -4 2 0.00 0.00 0.061 0.2 162 5353 0 1078 9 24.5 0.4 3.800 2 1.7
73 0.02 0.00 0.02 250.2 1.000 1 2 0.00 0.00 0.045 0.5 147 5350 0 1026 3 19.9 0.3 0.000 0 0.0
74 0.00 0.00 -0.01 250.1 1.000 -1 3 0.00 0.00 0.055 0.2 147 5399 0 1144 4 28.3 0.3 0.000 0 0.0
75 0.00 0.00 0.01 250.1 1.000 1 3 0.00 0.00 0.038 0.1 143 5491 0 1131 2 23.3 0.3 0.000 0 0.0
76 0.00 -0.01 -0.01 250.1 1.000 -4 4 0.00 0.00 0.029 0.3 129 5430 1 1097 3 28.0 0.4 0.000 0 0.0
77 0.00 0.00 0.00 250.1 1.000 -2 0 0.00 0.00 0.032 0.4 150 5395 0 1097 2 31.0 0.4 0.000 0 0.0
78 0.00 0.01 0.00 250.1 1.000 -2 -2 0.00 0.00 0.039 0.3 158 5435 0 1082 4 21.4 0.4 0.000 0 0.0
79 0.00 0.00 0.00 250.1 1.000 -6 0 0.00 0.00 0.034 0.2 139 5353 0 1151 5 25.3 0.3 0.000 0 0.0
80 0.00 0.00 0.00 250.1 1.000 -2 1 0.00 0.00 0.071 0.2 156 5492 0 1107 6 17.7 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
71 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1968
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2010
sds 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 -0.02 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1998
sds 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 -0.01 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2054
sds 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 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2005
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1977
sds 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 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 1987
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2003
sds 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 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2018
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
80 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1966
sds 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 2.0A)
81 0.00 0.00 -0.01 250.1 1.000 0 3 0.00 0.00 0.042 0.3 154 5447 1 1062 9 25.5 0.3 0.000 0 0.0
82 0.00 -0.01 0.00 250.1 1.000 4 0 0.00 0.00 0.056 0.3 149 5302 0 1151 8 21.7 0.3 0.000 0 0.0
83 0.00 0.00 0.00 250.1 1.000 -3 0 0.00 0.00 0.061 0.5 141 5383 1 1095 5 23.3 0.3 0.000 0 0.0
84 0.00 0.00 0.01 250.1 1.000 -2 2 0.00 0.00 0.038 0.2 149 5520 1 1076 2 22.4 0.3 0.000 0 0.0
85 0.01 0.00 -0.01 250.1 1.000 2 -3 0.00 0.00 0.054 0.2 146 5471 1 1070 7 23.4 0.3 0.000 0 0.0
86 0.00 0.00 0.00 250.1 1.000 4 5 0.00 0.00 0.044 0.2 184 5246 1 1106 7 22.7 -0.6 0.007 2 1.1
87 -0.01 0.00 0.00 250.1 1.000 -9 -3 0.00 0.00 0.048 0.3 157 5181 0 1043 5 24.8 0.3 0.000 0 0.0
88 0.00 0.00 0.01 250.1 1.000 1 2 0.00 0.00 0.038 0.3 163 5279 0 1080 4 27.9 0.3 0.000 0 0.0
89 0.00 0.00 -0.01 250.1 1.000 -1 -5 0.00 0.00 0.025 0.1 160 5337 0 1087 12 22.7 0.3 0.000 0 0.0
90 0.00 0.00 0.01 250.1 1.000 -6 3 0.00 0.00 0.048 0.2 156 5397 0 1084 10 26.2 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
81 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2017
sds 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 -0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2005
sds 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 -0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1985
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1926
sds 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 -0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 2028
sds 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 -0.02 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2092
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.054 2011
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.054 1858
sds 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 -0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1844
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 1927
sds 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 2.0A)
91 0.00 0.00 0.01 250.1 1.000 -3 -4 0.00 0.00 0.034 0.1 146 5425 1 1138 12 24.4 0.3 0.000 0 0.0
92 -0.01 0.00 0.00 250.1 1.000 -3 3 0.00 0.00 0.041 0.2 146 5427 0 1070 8 29.6 0.4 0.044 2 1.4
93 0.00 0.00 -0.01 250.1 1.000 1 1 0.00 0.00 0.050 0.2 166 5473 1 1124 8 30.6 0.3 0.000 0 0.0
94 0.00 0.00 0.00 250.1 1.000 -1 -1 0.00 0.00 0.037 0.2 176 5454 1 1163 11 29.1 0.3 0.000 0 0.0
95 -0.01 0.00 0.01 250.1 1.000 -9 0 0.00 0.00 0.057 0.2 148 5405 0 1069 8 28.4 0.4 0.043 2 1.2
96 0.00 0.00 -0.01 250.1 1.000 3 1 0.00 0.00 0.062 0.2 150 5399 1 1084 10 26.2 0.4 0.000 0 0.0
97 0.00 0.00 0.01 250.1 1.000 -4 0 0.00 0.00 0.050 0.2 165 5398 1 1105 11 25.6 3.7 0.000 0 0.0
98 0.00 -0.01 0.00 250.2 1.000 -3 3 0.00 0.00 0.041 0.3 147 5406 0 1069 12 19.8 0.4 0.000 0 0.0
99 -0.01 0.00 0.00 250.1 1.000 -7 4 0.00 0.00 0.053 0.1 169 5294 0 1047 6 21.5 0.3 0.000 0 0.0
100 0.00 0.00 0.00 250.1 1.000 2 1 0.00 0.00 0.041 0.2 173 5197 0 1067 4 22.9 0.3 0.008 2 0.9
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
91 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.053 1978
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 1987
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2003
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.062 1960
sds 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 -0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.062 1958
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 1945
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 1930
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1940
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1990
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
100 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1956
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** For information only. ***
PARTIALS INCLUDED IN POSITIONAL REFINEMENT AND PROFILES
=======================================================
Because there were rather few fully recorded reflections in the central region
of the first image, partials have been included both in the positional
refinement and in profile formation.
(The minimum number (eg 20) is set by keywords: REFINEMENT NREF 20 )
This is equivalent to including keywords:
REFINEMENT INCLUDE PARTIALS 0.50
PROFILE PARTIALS
*** Warning messages ***
EXCESSIVE NUMBER OF BADSPOTS
============================
At least some images have rather a lot of badspots (Maximum number 18)
They are rejected on the basis of:
1) Poor profile fit (PKRATIO >3, controlled by REJECTION PKRATIO).
2) Too large a BGRATIO (too much background variation, controlled by
REJECTION BGRATIO).
3) Too large a background gradient (controlled by REJECTION GRADMAX)
4) Intensity negative and more than 5 sigma.
Look at the list of badspots to see what category they fall under.
Poor profile fit is often the result of changes in ROFF, TOFF or CCOMEGA
between successive images when using the ADDPART option.
Very intense images can have unusually large gradients, GRADMAX may have to
be changed from the default
A pixel dump of the BADSPOTS can be obtained using REJECTION PLOT
if the reason for their rejection is not clear
AVERAGING OF STANDARD PROFILES
==============================
Profile averaging has been performed for some of the standard profiles.
If possible this should be avoided, eg by accumulating the profiles
over more images (BLOCK parameter on PROCESS keyword).
Do not attempt to process spots that are not really there !
If profiles are being averaged because the RMSBG is too high, but
this is because of diffuse scatter, it is best to increase the maximum
allowed RMSBG (default value 20.0): PROFILE RMSBG 25 (for example).
ERROR IN DETECTOR GAIN
======================
The ratio of the observed variation in background pixels to that
expected statistically (the BGRATIO) lies outside the range 0.9 to 1.1.
Actual values: minimum: 0.49 maximum: 0.50
The most likely explanation is that the GAIN of the detector is incorrect.
The current GAIN is 0.24 but the observed BGRATIO suggests it should be
set to 0.06.
NOTE however that diffuse scatter can lead to an increased value of BGRATIO
even when the gain is correct.
Since the gain for any scanner 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.
**** IMPORTANT ****
=======================
PIXELS IN CENTRE OF DETECTOR WITH VALUES OF LESS THAN (OR EQUAL TO) 0
========================================================================
Spots with pixel values less than (or equal to) 0 in the measurement box
(in the peak or background) have been found in the central region of the
detector (within 105mm of the direct beam position). These pixels are assumed to
be in the inactive area of the detector.
(The pixel value is set with keyword NULLPIX, and assigning a non-zero value
for NULLPIX can be used to reject spots that lie behind the backstop shadow).
If this is happening because the X-ray background is extremely low, then the
program may be incorrectly rejecting some spots.
You should check if this is indeed the case using the "pick" menu option of
the X-window graphics to inspect the image.
To avoid rejecting spots, use the keyword BIAS to add a constant to all pixel
values. The adc offset will also automatically be adjusted, do NOT reset it
with an ADCOFFSET keyword.
In addition, reduce RMAX or RSCAN (LIMITS keyword) to ensure that no spots are
predicted which have any part of their measurement box outside the scanned area.
ALL SPOTS CONTAINING A PIXEL WITH A VALUE LESS THAN OR EQUAL TO 0 WILL
BE REJECTED UNLESS "BIAS" IS SET.
Refined detector parameters:
Post refinement:
Elven plots: