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 0 3 0.00 0.00 0.024 0.1 178 5300 1 1030 8 20.3 0.4 0.122 16 1.0
2 0.00 0.00 -0.01 250.1 1.000 -2 2 0.00 0.00 0.042 0.3 210 5246 2 1043 8 24.5 3.4 0.028 42 1.5
3 0.00 0.00 0.01 250.1 1.000 -2 0 0.00 0.00 0.033 0.4 101 5516 2 1124 6 23.3 0.4 0.047 10 0.8
4 0.00 0.00 0.00 250.1 1.000 -3 5 0.00 0.00 0.056 0.1 106 5530 2 1138 7 47.9 0.4 0.009 8 1.8
5 0.00 0.00 0.00 250.1 1.000 -1 -4 0.00 0.00 0.056 0.1 114 5505 1 1146 11 24.1 0.3 0.110 6 2.3
6 0.00 0.00 0.00 250.1 1.000 0 4 0.00 0.00 0.045 0.2 108 5510 0 1109 6 29.1 0.3 0.000 0 0.0
7 0.01 0.00 0.01 250.1 1.000 9 -7 0.00 0.00 0.054 0.4 132 5445 0 1119 3 21.7 0.3 0.324 4 1.4
8 0.00 0.00 -0.01 250.1 1.000 -5 0 0.00 0.00 0.053 0.3 154 5396 0 1086 4 23.7 0.4 0.054 8 1.0
9 0.00 0.00 0.01 250.1 1.000 1 3 0.00 0.00 0.045 0.2 122 5416 1 1120 5 24.4 -1.9 0.087 4 0.6
10 0.00 0.01 0.00 250.1 1.000 -1 -1 0.00 0.00 0.058 0.3 115 5401 0 1121 2 19.5 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) 0.767 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.042 614
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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.047 1248
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 0.050 1890
sds 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 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.056 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
6 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.061 1999
sds 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 0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 2061
sds 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 0.81 0.00 0.00 0.058 2033
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 2038
sds 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 0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 1980
sds 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 0.00 0.00 0.00 250.1 1.000 0 -2 0.00 0.00 0.069 0.3 143 5486 0 1073 2 25.0 0.4 0.025 4 1.2
12 0.00 0.00 -0.01 250.1 1.000 -3 2 0.00 0.00 0.048 0.3 101 5404 0 1096 8 24.5 0.4 0.006 2 0.6
13 0.00 0.00 0.01 250.1 1.000 -3 -1 0.00 0.00 0.041 0.2 145 5462 0 1127 3 21.5 0.3 0.017 2 0.6
14 0.00 0.01 -0.01 250.2 1.000 0 -4 0.00 0.00 0.045 0.7 131 5432 0 1119 5 20.6 0.2 0.018 4 1.0
15 0.00 0.00 0.01 250.1 1.000 -3 -4 0.00 0.00 0.074 0.2 123 5528 0 1158 13 26.8 0.3 0.000 0 0.0
16 0.00 0.00 -0.01 250.1 1.000 2 0 0.00 0.00 0.049 0.2 125 5449 0 1102 6 28.6 0.3 0.000 0 0.0
17 0.00 0.00 0.01 250.1 1.000 -3 10 0.00 0.00 0.045 0.2 112 5356 0 1079 7 20.5 0.3 0.000 0 0.0
18 -0.01 0.00 -0.01 250.1 1.000 -5 9 0.00 0.00 0.052 0.2 169 5418 0 1087 3 20.1 0.3 0.013 4 0.2
19 0.01 0.00 0.00 250.1 1.000 7 3 0.00 0.00 0.033 0.2 146 5325 0 1148 3 22.2 0.3 0.000 0 0.0
20 0.00 0.00 0.01 250.1 1.000 -2 -6 0.00 0.00 0.073 0.1 125 5466 0 1144 3 33.5 0.3 0.016 2 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
11 0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.059 2006
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2064
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2079
sds 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 0.81 0.00 0.00 0.055 2124
sds 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 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
16 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2121
sds 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 0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.81 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
18 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.055 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
19 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 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
20 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 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
*** 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 -7 -1 0.00 0.00 0.031 0.2 150 5518 0 1108 2 21.0 0.4 0.021 6 0.4
22 0.00 0.00 0.00 250.1 1.000 1 1 0.00 0.00 0.040 0.1 153 5341 0 1134 3 18.7 0.3 0.033 2 0.1
23 0.00 0.00 -0.01 250.1 1.000 1 0 0.00 0.00 0.038 0.2 133 5339 0 1160 4 24.8 0.3 0.000 0 0.0
24 0.00 0.00 0.00 250.1 1.000 -4 2 0.00 0.00 0.050 0.1 132 5471 0 1152 3 29.8 0.4 0.000 0 0.0
25 -0.01 -0.01 0.00 250.1 1.000 -4 11 0.00 0.00 0.053 0.2 147 5556 0 1141 4 22.8 0.3 0.000 0 0.0
26 0.00 0.00 0.01 250.1 1.000 -2 7 0.00 0.00 0.057 0.1 124 5502 0 1148 3 21.6 0.3 0.000 0 0.0
27 -0.01 0.00 -0.01 250.1 1.000 -6 6 0.00 0.00 0.060 0.3 150 5273 0 1088 4 23.3 0.2 0.239 2 2.0
28 0.00 0.00 0.00 250.1 1.000 -5 0 0.00 0.00 0.070 0.3 163 5251 0 1050 7 21.8 0.4 0.000 0 0.0
29 0.00 0.01 0.00 250.1 1.000 0 -1 0.00 0.00 0.054 0.4 172 5299 2 1046 8 18.8 0.5 0.000 0 0.0
30 0.00 0.00 0.00 250.1 1.000 -5 0 0.00 0.00 0.039 0.1 173 5323 1 1061 13 22.7 0.4 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
21 0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2053
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.053 2084
sds 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 0.80 0.00 0.00 0.056 2038
sds 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 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
25 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 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
26 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2138
sds 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 0.80 0.00 0.00 0.055 2063
sds 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 0.80 0.00 0.00 0.054 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
29 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1905
sds 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 0.80 0.00 0.00 0.059 1988
sds 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 0.00 0.00 0.00 250.1 1.000 -4 -1 0.00 0.00 0.052 0.3 182 5347 0 1067 14 25.4 0.4 0.053 6 1.5
32 0.00 0.00 0.01 250.1 1.000 6 -1 0.00 0.00 0.038 0.1 161 5429 1 1073 13 28.2 0.4 0.000 0 0.0
33 0.00 0.00 0.00 250.1 1.000 -4 3 0.00 0.00 0.061 0.2 128 5443 2 1063 9 24.2 0.3 0.000 0 0.0
34 0.00 0.00 0.00 250.1 1.000 -3 -5 0.00 0.00 0.069 0.2 127 5430 2 1040 13 29.9 0.3 0.017 56 1.0
35 0.00 0.01 0.00 250.1 1.000 -1 1 0.00 0.00 0.070 0.1 143 5440 2 1090 8 20.8 0.4 0.017 2 0.6
36 0.00 0.00 -0.01 250.1 1.000 -1 1 0.00 0.00 0.037 0.1 146 5393 1 1093 8 22.2 0.4 0.066 2 0.5
37 0.00 0.00 0.00 250.1 1.000 0 -4 0.00 0.00 0.058 0.1 152 5347 0 1079 7 25.7 0.4 0.000 0 0.0
38 0.00 0.00 0.00 250.1 1.000 1 -3 0.00 0.00 0.026 0.2 145 5321 0 1109 11 22.3 0.4 0.000 0 0.0
39 0.00 0.00 -0.01 250.1 1.000 -2 2 0.00 0.00 0.028 0.3 154 5259 1 1100 12 21.5 0.3 0.000 0 0.0
40 0.01 0.00 0.02 250.1 1.000 0 -4 0.00 0.00 0.063 0.2 144 5394 1 1063 5 20.4 0.4 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
31 -0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2059
sds 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 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
33 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 2030
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2086
sds 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 0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2129
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2139
sds 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 0.058 2087
sds 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 0.058 2050
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2021
sds 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 1986
sds 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 0.00 0.01 250.1 1.000 -1 -7 0.00 0.00 0.048 0.2 145 5507 2 1095 3 26.3 0.3 0.000 0 0.0
42 0.00 0.00 0.00 250.1 1.000 -3 -1 0.00 0.00 0.044 0.2 161 5437 0 1044 6 23.7 0.3 0.094 2 0.4
43 0.00 0.00 0.00 250.1 1.000 1 -1 0.00 0.00 0.034 0.1 155 5325 1 1067 4 23.1 0.3 0.000 0 0.0
44 0.00 -0.01 0.00 250.1 1.000 -4 0 0.00 0.00 0.030 0.2 141 5292 0 1101 6 21.5 0.4 0.000 0 0.0
45 0.00 0.00 0.01 250.1 1.000 -9 -4 0.00 0.00 0.022 0.1 166 5482 0 1196 2 32.7 0.3 0.000 0 0.0
46 0.00 0.00 -0.01 250.1 1.000 0 -2 0.00 0.00 0.052 0.1 151 5457 0 1134 2 28.3 0.4 0.000 0 0.0
47 0.00 0.00 -0.01 250.1 1.000 0 0 0.00 0.00 0.026 0.2 146 5230 0 1097 2 26.3 0.4 0.000 0 0.0
48 -0.02 0.00 0.00 250.1 1.000 -11 10 0.00 0.00 0.091 0.2 158 5438 0 1129 3 18.6 0.4 0.000 0 0.0
49 0.00 0.00 0.01 250.1 1.000 1 5 0.00 0.00 0.046 0.1 151 5425 1 1071 5 26.9 0.4 0.000 0 0.0
50 0.00 0.00 0.00 250.1 1.000 -3 2 0.00 0.00 0.033 0.3 129 5353 1 1088 10 34.7 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
41 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 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
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 0.055 2105
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2143
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2051
sds 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 0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2015
sds 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 0.80 0.00 0.00 0.059 2037
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2037
sds 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 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
49 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 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
50 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 1988
sds 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 -2 -2 0.00 0.00 0.056 0.2 171 5421 0 1069 4 22.7 0.4 0.000 0 0.0
52 -0.01 0.00 -0.01 250.1 1.000 -8 1 0.00 0.00 0.039 0.2 127 5336 0 1074 4 27.8 0.3 0.000 0 0.0
53 0.00 0.00 0.00 250.1 1.000 -2 6 0.00 0.00 0.057 0.1 195 5361 0 1107 0 22.0 0.2 0.085 2 0.5
54 0.00 0.00 -0.01 250.1 1.000 0 4 0.00 0.00 0.045 0.1 139 5371 2 1141 10 25.0 0.3 0.360 2 1.3
55 0.01 0.00 -0.01 250.1 1.000 -1 2 0.00 0.00 0.074 0.2 174 5343 0 1040 6 21.7 0.4 0.013 2 0.2
56 0.00 0.00 0.00 250.1 1.000 -7 1 0.00 0.00 0.046 0.2 136 5322 1 1084 3 25.4 0.4 0.000 0 0.0
57 0.00 0.00 -0.01 250.1 1.000 -6 3 0.00 0.00 0.055 0.2 162 5309 1 1025 6 17.6 0.4 0.000 0 0.0
58 -0.01 0.00 0.00 250.1 1.000 -3 0 0.00 0.00 0.038 0.1 150 5432 0 1120 3 20.5 0.4 0.000 0 0.0
59 0.00 0.00 0.01 250.1 1.000 1 2 0.00 0.00 0.067 0.2 150 5443 0 1064 5 20.2 0.4 0.073 2 0.4
60 0.00 0.00 0.00 250.1 1.000 -3 -4 0.00 0.00 0.031 0.2 131 5451 0 1094 2 21.6 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 0.01 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2079
sds 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 0.80 0.00 0.00 0.055 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
53 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2150
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2079
sds 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 -0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2065
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2082
sds 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 -0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2091
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2087
sds 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 0.059 2052
sds 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 0.059 2065
sds 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 0.01 0.01 250.1 1.000 3 -8 0.00 0.00 0.051 0.2 154 5425 0 1045 4 17.9 0.3 0.067 4 2.0
62 0.00 0.00 -0.01 250.1 1.000 3 3 0.00 0.00 0.045 0.2 133 5410 0 1108 4 23.9 0.4 0.153 2 0.6
63 0.00 0.00 0.00 250.1 1.000 -5 -3 0.00 0.00 0.026 0.2 149 5382 1 1092 2 20.8 0.3 0.000 0 0.0
64 -0.01 0.02 -0.02 250.1 1.000 -9 -8 0.00 0.00 0.058 0.3 119 5406 0 1050 3 20.5 0.4 0.003 2 0.2
65 0.00 0.00 0.01 250.1 1.000 -5 -1 0.00 0.00 0.025 0.2 160 5356 1 1046 4 22.7 0.3 0.019 2 0.3
66 -0.01 -0.01 0.01 250.1 1.000 -5 5 0.00 0.00 0.051 0.1 158 5362 0 1138 7 17.6 0.4 0.010 2 0.0
67 0.00 0.01 -0.01 250.1 1.000 3 -1 0.00 0.00 0.042 0.2 159 5434 0 1165 6 22.5 0.3 0.000 0 0.0
68 0.00 0.00 -0.03 250.1 1.000 2 3 0.00 0.00 0.058 0.4 149 5425 0 1066 4 20.4 0.2 0.000 0 0.0
69 0.00 0.01 0.03 250.1 1.000 1 -6 0.00 0.00 0.040 0.3 152 5437 1 1086 2 18.4 0.3 0.000 0 0.0
70 0.00 0.00 0.00 250.1 1.000 0 4 0.00 0.00 0.063 0.2 147 5314 1 1083 0 24.1 0.4 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
61 0.01 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2083
sds 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 0.00 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2047
sds 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 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1984
sds 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 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
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 0.058 2025
sds 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 0.80 0.00 0.00 0.059 2050
sds 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 -0.01 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
68 -0.01 0.02 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
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 0.061 2043
sds 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 0.059 2116
sds 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 0.00 -0.01 -0.01 250.1 1.000 1 6 0.00 0.00 0.051 0.2 170 5342 0 1086 6 19.0 0.3 0.000 0 0.0
72 0.00 0.00 0.01 250.1 1.000 1 -2 0.00 0.00 0.072 0.2 157 5365 0 1076 7 24.9 0.4 3.667 2 1.6
73 0.00 0.00 0.00 250.1 1.000 0 -7 0.00 0.00 0.041 0.2 144 5362 0 1052 3 24.9 0.4 0.000 0 0.0
74 0.00 0.00 -0.01 250.1 1.000 -6 1 0.00 0.00 0.062 0.2 144 5407 0 1137 3 26.5 0.4 0.000 0 0.0
75 -0.01 0.00 0.01 250.1 1.000 -4 2 0.00 0.00 0.037 0.4 139 5499 0 1143 0 21.1 0.3 0.000 0 0.0
76 0.00 0.00 -0.01 250.1 1.000 -2 0 0.00 0.00 0.063 0.2 128 5437 1 1105 2 30.9 0.4 0.000 0 0.0
77 0.00 0.00 0.01 250.1 1.000 -5 -4 0.00 0.00 0.041 0.2 145 5405 0 1109 1 31.0 0.4 0.000 0 0.0
78 0.00 0.00 0.00 250.1 1.000 -2 3 0.00 0.00 0.044 0.2 152 5435 0 1049 3 20.9 0.4 0.000 0 0.0
79 0.00 0.01 0.00 250.1 1.000 -8 -3 0.00 0.00 0.053 0.2 137 5361 0 1171 5 23.6 0.3 0.000 0 0.0
80 0.00 0.00 -0.01 250.1 1.000 0 2 0.00 0.00 0.075 0.2 149 5506 0 1100 4 17.6 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
71 -0.01 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
72 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 2085
sds 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 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2070
sds 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 2130
sds 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 2097
sds 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 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 2064
sds 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 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2081
sds 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 0.81 0.00 0.00 0.055 2081
sds 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 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2110
sds 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 0.00 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2066
sds 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 -4 -1 0.00 0.00 0.037 0.3 149 5459 1 1087 6 24.2 0.3 0.000 0 0.0
82 0.00 0.00 0.01 250.2 1.000 5 -7 0.00 0.00 0.073 0.2 145 5315 0 1144 4 24.4 0.3 0.000 0 0.0
83 0.00 0.00 -0.01 250.1 1.000 -4 4 0.00 0.00 0.029 0.3 133 5404 1 1105 3 23.7 0.3 0.000 0 0.0
84 0.00 0.00 0.01 250.1 1.000 -2 -1 0.00 0.00 0.039 0.2 134 5543 1 1078 0 22.8 0.4 0.000 0 0.0
85 0.00 -0.01 0.00 250.0 1.000 -5 1 0.00 0.00 0.044 0.2 136 5505 1 1104 6 20.9 0.3 0.000 0 0.0
86 0.00 0.00 -0.01 250.1 1.000 3 -3 0.00 0.00 0.054 0.3 176 5269 1 1122 6 23.4 -0.4 0.006 2 1.0
87 -0.01 0.00 0.01 250.1 1.000 -7 -3 0.00 0.00 0.040 0.2 142 5199 0 1053 5 25.8 0.4 0.000 0 0.0
88 0.00 0.01 0.00 250.1 1.000 4 -3 0.00 0.00 0.046 0.3 151 5299 0 1070 4 24.4 0.3 0.000 0 0.0
89 0.00 0.00 0.00 250.1 1.000 0 2 0.00 0.00 0.021 0.1 150 5369 0 1078 11 28.6 0.3 0.000 0 0.0
90 0.00 -0.01 0.01 250.1 1.000 -1 7 0.00 0.00 0.045 0.3 149 5414 1 1083 7 24.5 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 -0.01 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 2128
sds 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 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2093
sds 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 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2073
sds 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 0.059 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
85 0.00 -0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2153
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2201
sds 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 0.80 0.00 0.00 0.056 2115
sds 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 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1948
sds 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 0.00 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1939
sds 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 -0.01 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
*** 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 0.00 250.1 1.000 -3 2 0.00 0.00 0.041 0.2 137 5442 1 1153 9 26.6 0.4 0.000 0 0.0
92 0.00 0.00 0.00 250.1 1.000 -4 -3 0.00 0.00 0.051 0.2 139 5437 0 1099 8 33.2 0.4 0.028 2 0.9
93 0.00 0.00 0.00 250.1 1.000 -4 0 0.00 0.00 0.059 0.2 159 5496 1 1103 5 29.3 0.4 0.000 0 0.0
94 -0.02 0.00 0.00 250.1 1.000 -14 -7 0.00 0.00 0.058 0.2 163 5478 1 1184 6 23.7 0.3 0.000 0 0.0
95 0.00 0.00 0.00 250.1 1.000 -1 0 0.00 0.00 0.050 0.2 137 5426 0 1067 8 34.8 0.4 0.028 2 0.8
96 0.01 0.00 0.00 250.1 1.000 2 2 0.00 0.00 0.043 0.2 143 5419 1 1062 11 24.8 0.4 0.000 0 0.0
97 0.00 0.00 0.00 250.1 1.000 -4 2 0.00 0.00 0.026 0.1 157 5412 1 1103 9 25.4 3.8 0.000 0 0.0
98 0.00 0.00 0.00 250.1 1.000 -1 7 0.00 0.00 0.048 0.4 140 5436 0 1050 10 22.7 0.4 0.000 0 0.0
99 0.00 0.00 0.00 250.1 1.000 1 -2 0.00 0.00 0.052 0.1 161 5316 0 1058 6 22.3 0.3 0.000 0 0.0
100 -0.01 0.00 0.00 250.1 1.000 -6 -4 0.00 0.00 0.037 0.2 157 5234 0 1092 4 24.0 0.4 0.000 0 0.0
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 0.055 2064
sds 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 0.057 2086
sds 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 0.061 2087
sds 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 2057
sds 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 0.00 -0.02 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2033
sds 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 -0.01 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2025
sds 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 0.80 0.00 0.00 0.058 2025
sds 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 0.01 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2039
sds 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 0.00 0.00 -0.01 78.33 78.33 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2089
sds 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 0.80 0.00 0.00 0.057 2053
sds 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 14)
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: 0.51 maximum: 0.52
The most likely explanation is that the GAIN of the detector is incorrect.
The current GAIN is 0.22 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: