Generate File TITLE: Raw data wedge from decay_1_###.img 1 to 100 at lambda= 0.979725
Crystal Identifier: decay_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 0.01 250.1 1.000 -1 0 0.00 0.00 0.040 0.1 167 5322 1 1014 8 20.5 0.4 0.164 16 1.3
2 0.00 0.00 0.01 250.1 1.000 -2 3 0.00 0.00 0.056 0.3 200 5279 1 1017 8 24.7 1.6 0.029 42 1.4
3 0.00 0.00 0.00 250.1 1.000 3 1 0.00 0.00 0.027 0.2 84 5568 2 1129 6 28.6 0.3 0.091 8 1.5
4 0.00 0.00 -0.01 250.1 1.000 -3 1 0.00 0.00 0.058 0.1 95 5566 2 1164 7 46.1 0.3 0.007 6 1.3
5 0.00 0.00 0.00 250.1 1.000 1 2 0.00 0.00 0.030 0.1 111 5529 1 1180 12 21.8 0.3 0.064 6 1.1
6 0.00 0.00 0.00 250.1 1.000 -6 3 0.00 0.00 0.041 0.2 105 5531 0 1067 6 27.7 0.3 0.000 0 0.0
7 0.01 0.00 0.01 250.1 1.000 5 4 0.00 0.00 0.053 0.3 123 5479 0 1096 3 21.5 0.4 0.380 2 2.3
8 0.00 0.00 0.01 250.1 1.000 4 -3 0.00 0.00 0.049 0.4 145 5435 0 1098 4 20.6 0.3 0.074 8 1.6
9 0.00 0.00 -0.01 250.1 1.000 -1 0 0.00 0.00 0.036 0.1 106 5455 1 1114 6 23.6 0.3 0.401 4 1.7
10 0.00 -0.01 0.01 250.1 1.000 -4 1 0.00 0.00 0.039 0.2 105 5440 0 1118 2 19.1 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 78.322 78.322 243.198 90.00 90.00 120.00
Initial missetting angles -0.014 0.010 -0.014
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.773 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 78.32 78.32 243.20 90.00 90.00 120.00 0.85 0.00 0.00 0.050 618
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 78.32 78.32 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.052 1243
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 -0.01 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.054 1877
sds 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 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.058 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
6 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.061 2027
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.062 2099
sds 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 0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.061 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
9 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.061 2068
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.060 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)
11 0.00 0.00 0.00 250.1 1.000 -3 3 0.00 0.00 0.040 0.1 137 5519 0 1046 2 25.5 0.4 0.025 4 1.5
12 0.01 0.00 0.01 250.1 1.000 2 2 0.00 0.00 0.023 0.2 98 5414 0 1110 8 25.5 0.4 0.016 2 1.7
13 0.00 0.00 -0.01 250.1 1.000 -2 5 0.00 0.00 0.065 0.1 144 5465 0 1124 3 21.0 0.3 0.006 2 0.2
14 0.00 0.00 0.01 250.1 1.000 2 -1 0.00 0.00 0.037 0.2 132 5449 0 1118 5 23.8 0.3 0.010 4 0.6
15 0.00 0.00 -0.01 250.1 1.000 -2 -4 0.00 0.00 0.050 0.1 122 5537 0 1124 13 27.6 0.3 0.000 0 0.0
16 0.00 0.00 0.00 250.0 1.000 -6 -1 0.00 0.00 0.039 0.2 123 5456 0 1096 6 27.9 0.3 0.000 0 0.0
17 0.00 0.00 0.00 250.1 1.000 5 0 0.00 0.00 0.053 0.3 110 5366 0 1119 6 22.4 0.3 0.000 0 0.0
18 0.00 0.00 0.00 250.1 1.000 1 -3 0.00 0.00 0.026 0.2 167 5422 0 1072 3 21.6 0.3 0.059 4 1.0
19 0.00 -0.01 0.00 250.1 1.000 2 3 0.00 0.00 0.038 0.2 144 5329 0 1057 3 19.3 0.3 0.000 0 0.0
20 0.00 0.00 0.00 250.1 1.000 -5 3 0.00 0.00 0.040 0.1 123 5473 0 1140 4 33.4 0.3 0.128 2 0.4
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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 2002
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 2069
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 2069
sds 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 0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2112
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2048
sds 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 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.055 2134
sds 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 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.057 1996
sds 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 0.01 0.00 78.32 78.32 243.20 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
19 0.00 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2020
sds 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 -0.01 78.32 78.32 243.20 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
*** 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 0.00 0.00 0.00 250.1 1.000 2 1 0.00 0.00 0.031 0.1 148 5517 0 1089 2 23.4 0.3 0.052 6 0.9
22 0.00 0.00 0.00 250.1 1.000 1 1 0.00 0.00 0.056 0.1 153 5343 0 1096 3 22.0 0.4 0.069 2 0.3
23 0.00 0.00 0.01 250.1 1.000 -2 2 0.00 0.00 0.023 0.3 129 5343 0 1147 4 24.8 0.3 0.000 0 0.0
24 0.00 0.00 -0.01 250.1 1.000 0 1 0.00 0.00 0.052 0.2 131 5481 0 1137 3 27.1 0.3 0.000 0 0.0
25 -0.01 -0.01 -0.01 250.1 1.000 -6 7 0.00 0.00 0.037 0.2 141 5561 0 1140 4 29.0 0.3 0.000 0 0.0
26 0.00 0.00 0.01 250.1 1.000 -4 1 0.00 0.00 0.056 0.2 122 5510 0 1132 3 21.9 0.3 0.000 0 0.0
27 0.00 0.00 -0.01 250.1 1.000 -4 -5 0.00 0.00 0.058 0.4 147 5291 0 1097 4 27.5 0.2 0.209 2 1.8
28 0.00 0.00 0.00 250.0 1.000 -2 2 0.00 0.00 0.039 0.2 162 5263 0 1034 8 23.6 0.4 0.000 0 0.0
29 0.00 0.00 0.00 250.1 1.000 0 1 0.00 0.00 0.056 0.2 165 5309 2 1124 8 18.7 0.5 0.000 0 0.0
30 0.00 -0.01 0.00 250.1 1.000 -3 8 0.00 0.00 0.055 0.2 170 5338 1 1038 12 20.6 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
21 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
22 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.052 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
23 0.01 -0.01 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
24 0.00 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2016
sds 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 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
26 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2135
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2034
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
29 0.00 0.00 0.00 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1882
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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)
31 0.00 0.00 0.00 250.1 1.000 2 -3 0.00 0.00 0.049 0.2 175 5373 0 1094 13 28.5 0.4 0.026 6 0.8
32 0.00 0.00 0.00 250.1 1.000 -1 0 0.00 0.00 0.037 0.2 162 5432 1 1062 12 29.0 0.4 0.000 0 0.0
33 0.00 0.00 0.00 250.1 1.000 -6 -5 0.00 0.00 0.066 0.2 128 5452 2 1097 8 26.0 0.3 0.000 0 0.0
34 0.00 0.00 -0.01 250.1 1.000 3 1 0.00 0.00 0.053 0.1 124 5425 2 1053 13 28.6 0.3 0.017 54 1.1
35 0.00 0.00 0.00 250.1 1.000 -3 0 0.00 0.00 0.063 0.2 143 5430 2 1086 8 25.8 0.4 0.006 2 0.2
36 0.00 0.00 0.00 250.1 1.000 -2 0 0.00 0.00 0.040 0.3 146 5389 1 1068 8 21.0 0.4 0.036 2 0.3
37 0.00 0.00 0.00 250.1 1.000 4 -3 0.00 0.00 0.066 0.1 155 5340 0 1086 6 25.7 0.4 0.000 0 0.0
38 0.00 0.00 0.01 250.1 1.000 3 -3 0.00 0.00 0.024 0.5 142 5325 0 1079 11 23.4 0.4 0.000 0 0.0
39 0.00 0.00 0.00 250.1 1.000 1 -4 0.00 0.00 0.044 0.2 155 5254 1 1097 13 22.3 0.3 0.000 0 0.0
40 0.00 0.00 0.01 250.1 1.000 -1 -4 0.00 0.00 0.041 0.2 133 5410 1 1111 4 21.3 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 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2029
sds 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 -0.01 78.32 78.32 243.20 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
33 0.01 0.00 -0.01 78.32 78.32 243.20 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
34 0.00 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2119
sds 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 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2178
sds 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2166
sds 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2107
sds 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2056
sds 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 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
40 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.062 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
*** 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 0.00 250.1 1.000 2 2 0.00 0.00 0.043 0.2 140 5522 2 1107 2 26.9 0.3 0.000 0 0.0
42 0.00 0.00 0.01 250.1 1.000 0 -6 0.00 0.00 0.040 0.2 162 5436 0 1046 6 19.3 0.4 0.278 2 1.6
43 0.00 0.00 -0.01 250.0 1.000 -1 6 0.00 0.00 0.060 0.2 153 5329 1 1092 4 22.5 0.4 0.000 0 0.0
44 -0.01 0.00 0.00 250.1 1.000 -5 -2 0.00 0.00 0.034 0.2 139 5295 0 1085 5 20.8 0.4 0.000 0 0.0
45 0.00 0.00 -0.01 250.1 1.000 -6 -5 0.00 0.00 0.050 0.2 163 5488 0 1158 2 34.2 0.3 0.000 0 0.0
46 0.01 0.00 0.00 250.1 1.000 2 3 0.00 0.00 0.043 0.5 151 5468 0 1108 2 25.1 0.4 0.000 0 0.0
47 0.00 0.00 0.00 250.1 1.000 0 1 0.00 0.00 0.040 0.2 138 5244 0 1042 2 25.6 0.4 0.000 0 0.0
48 0.00 0.00 0.01 250.1 1.000 -6 4 0.00 0.00 0.072 0.1 159 5438 0 1121 3 20.2 0.4 0.000 0 0.0
49 0.00 0.00 0.00 250.1 1.000 -1 2 0.00 0.00 0.045 0.1 157 5424 1 1068 6 29.6 0.4 0.000 0 0.0
50 0.00 0.00 0.00 250.1 1.000 -1 3 0.00 0.00 0.030 0.1 130 5349 1 1083 10 35.1 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
42 0.01 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2098
sds 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 2113
sds 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 78.32 78.32 243.20 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
45 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 1996
sds 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 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2048
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
48 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2023
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.063 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
50 0.00 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 1991
sds 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 0 7 0.00 0.00 0.064 0.2 175 5421 0 1095 4 22.8 0.3 0.000 0 0.0
52 -0.01 0.00 0.00 250.1 1.000 -8 1 0.00 0.00 0.053 0.1 122 5337 0 1091 5 26.6 0.3 0.000 0 0.0
53 0.00 0.00 0.01 250.1 1.000 -1 -3 0.00 0.00 0.046 0.1 198 5349 0 1118 1 20.5 0.3 0.172 2 1.1
54 0.00 0.01 -0.02 250.1 1.000 -4 -4 0.00 0.00 0.055 0.2 135 5375 2 1113 9 21.5 0.3 0.025 2 0.1
55 0.00 0.00 0.01 250.1 1.000 -1 -4 0.00 0.00 0.056 0.1 173 5344 0 1052 6 25.7 0.4 0.006 2 0.1
56 -0.01 0.00 -0.01 250.1 1.000 -6 4 0.00 0.00 0.060 0.2 138 5325 1 1087 4 25.3 0.4 0.000 0 0.0
57 0.01 0.00 0.00 250.1 1.000 0 0 0.00 0.00 0.046 0.1 167 5307 1 1030 6 17.1 0.4 0.000 0 0.0
58 0.00 0.00 0.00 250.1 1.000 -4 0 0.00 0.00 0.026 0.2 149 5431 0 1146 3 24.1 0.3 0.000 0 0.0
59 0.01 0.00 0.00 250.1 1.000 6 -1 0.00 0.00 0.050 0.2 154 5424 0 1049 5 20.3 0.3 0.005 2 0.0
60 0.00 0.00 0.00 250.1 1.000 0 0 0.00 0.00 0.044 0.2 135 5439 0 1061 2 21.2 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
51 0.00 0.00 0.00 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2088
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
53 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
54 -0.01 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
55 -0.01 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
56 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
57 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
58 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
59 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2022
sds 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 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2071
sds 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 0.00 0.02 0.00 250.1 1.000 0 -5 0.00 0.00 0.050 0.1 158 5419 0 1085 4 18.0 0.4 0.080 4 2.0
62 0.00 0.00 0.00 250.1 1.000 -2 3 0.00 0.00 0.023 0.2 136 5395 0 1092 4 24.3 0.4 0.150 2 0.5
63 0.00 0.00 0.00 250.1 1.000 1 2 0.00 0.00 0.022 0.3 152 5378 1 1094 2 25.6 0.3 0.000 0 0.0
64 0.00 0.00 0.00 250.1 1.000 2 -6 0.00 0.00 0.023 0.1 120 5383 0 1028 3 27.7 0.4 0.046 6 1.2
65 0.00 -0.02 0.00 250.1 1.000 -4 4 0.00 0.00 0.044 0.2 164 5348 1 1062 3 16.6 0.3 0.063 2 1.0
66 -0.01 0.00 0.00 250.1 1.000 -3 4 0.00 0.00 0.048 0.3 159 5357 0 1131 7 21.3 0.4 0.006 2 0.0
67 0.00 0.00 -0.01 250.1 1.000 -8 -2 0.00 0.00 0.043 0.2 161 5428 0 1155 5 25.5 0.2 0.000 0 0.0
68 0.00 0.00 0.00 250.1 1.000 -3 -5 0.00 0.00 0.050 0.2 156 5412 0 1054 4 26.2 0.3 0.000 0 0.0
69 0.01 0.00 0.01 250.1 1.000 2 -2 0.00 0.00 0.026 0.3 160 5421 1 1133 1 19.7 0.3 0.000 0 0.0
70 0.00 0.00 -0.01 250.1 1.000 0 6 0.00 0.00 0.062 0.2 148 5313 1 1091 0 24.3 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 0.00 0.00 -0.01 78.32 78.32 243.20 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
62 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2071
sds 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 0.00 0.00 -0.01 78.32 78.32 243.20 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
64 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2031
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2067
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2071
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
68 0.00 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
69 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2029
sds 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 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2098
sds 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 0.00 0.00 250.1 1.000 -1 -6 0.00 0.00 0.054 0.2 173 5337 0 1057 6 25.1 0.3 0.000 0 0.0
72 0.00 0.00 -0.01 250.1 1.000 3 2 0.00 0.00 0.080 0.2 160 5358 0 1069 7 27.4 0.4 0.353 2 0.8
73 0.00 -0.01 -0.01 250.0 1.000 -1 5 0.00 0.00 0.033 0.4 144 5357 0 1007 3 20.9 0.4 0.000 0 0.0
74 -0.01 0.00 0.01 250.1 1.000 -6 -3 0.00 0.00 0.073 0.2 144 5396 0 1117 3 24.5 0.3 0.000 0 0.0
75 0.00 0.00 0.00 250.1 1.000 -8 5 0.00 0.00 0.037 0.5 140 5489 0 1117 0 24.4 0.3 0.000 0 0.0
76 0.00 0.00 0.00 250.1 1.000 -7 1 0.00 0.00 0.046 0.1 131 5416 1 1114 2 30.9 0.4 0.000 0 0.0
77 0.00 0.01 0.01 250.1 1.000 0 -5 0.00 0.00 0.054 0.2 144 5394 0 1107 1 25.4 0.3 0.000 0 0.0
78 0.00 0.00 -0.02 250.1 1.000 0 -4 0.00 0.00 0.043 0.2 152 5433 0 1067 3 23.7 0.4 0.000 0 0.0
79 -0.01 0.00 0.01 250.1 1.000 -8 -2 0.00 0.00 0.042 0.2 132 5358 0 1121 5 26.2 0.3 0.000 0 0.0
80 0.00 0.00 0.00 250.1 1.000 0 2 0.00 0.00 0.038 0.3 146 5508 0 1137 4 18.6 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 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
72 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2088
sds 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 -0.02 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2067
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
74 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2117
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
75 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
76 -0.01 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2069
sds 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 -0.02 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
78 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2056
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 2072
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 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
*** 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 -0.01 0.00 0.00 250.1 1.000 -4 1 0.00 0.00 0.048 0.2 144 5472 1 1077 6 23.9 0.3 0.000 0 0.0
82 0.00 0.00 0.00 250.1 1.000 0 -4 0.00 0.00 0.071 0.2 142 5335 0 1083 3 26.2 0.4 0.000 0 0.0
83 0.00 0.00 -0.01 250.1 1.000 -1 2 0.00 0.00 0.073 0.2 134 5408 1 1083 2 24.6 0.3 0.000 0 0.0
84 0.00 0.00 0.00 250.1 1.000 0 -2 0.00 0.00 0.046 0.2 135 5544 1 1059 0 21.5 0.4 0.000 0 0.0
85 0.00 0.00 0.00 250.1 1.000 -7 -1 0.00 0.00 0.064 0.2 141 5500 1 1085 4 25.0 0.3 0.000 0 0.0
86 0.00 0.00 0.00 250.1 1.000 0 1 0.00 0.00 0.046 0.2 173 5276 1 1079 7 22.7 1.0 0.008 2 1.5
87 0.00 0.00 -0.01 250.1 1.000 -1 4 0.00 0.00 0.043 0.2 141 5205 0 1027 5 27.2 0.4 0.000 0 0.0
88 0.00 0.00 0.00 250.1 1.000 0 0 0.00 0.00 0.044 0.3 147 5314 0 1094 3 28.9 0.3 0.000 0 0.0
89 0.01 0.00 0.02 250.1 1.000 1 -2 0.00 0.00 0.034 0.3 141 5394 0 1079 11 23.8 0.3 0.000 0 0.0
90 0.00 0.00 -0.01 250.1 1.000 -5 2 0.00 0.00 0.037 0.3 139 5442 0 1093 7 27.8 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 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
82 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
83 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
84 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2013
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2118
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2211
sds 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 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2159
sds 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 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
89 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2002
sds 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 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 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
*** 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 0.2 134 5454 1 1118 9 26.6 0.4 0.000 0 0.0
92 0.00 0.00 0.00 250.1 1.000 -4 4 0.00 0.00 0.071 0.1 130 5458 0 1092 8 26.2 0.3 0.012 2 0.4
93 0.00 0.01 0.00 250.1 1.000 -1 1 0.00 0.00 0.041 0.1 152 5520 1 1109 5 27.1 0.4 0.000 0 0.0
94 0.00 0.00 0.00 250.1 1.000 4 1 0.00 0.00 0.037 0.1 152 5503 1 1102 6 27.6 0.4 0.000 0 0.0
95 0.00 0.03 0.02 250.1 1.000 -6 -10 0.00 0.00 0.074 0.6 130 5450 0 1068 8 20.4 0.4 0.016 2 0.4
96 0.00 -0.02 -0.01 250.1 1.000 -1 9 0.00 0.00 0.049 0.4 138 5450 1 1062 11 19.5 0.4 0.000 0 0.0
97 0.00 0.00 -0.01 250.1 1.000 -6 3 0.00 0.00 0.043 0.4 152 5434 1 1138 9 24.5 0.3 0.000 0 0.0
98 0.00 0.00 -0.01 250.1 1.000 2 0 0.00 0.00 0.034 0.3 134 5447 0 1095 10 23.2 0.4 0.000 0 0.0
99 0.00 0.00 0.00 250.1 1.000 -1 -5 0.00 0.00 0.045 0.1 154 5323 0 1070 6 22.7 0.3 0.000 0 0.0
100 0.01 0.00 0.00 250.1 1.000 6 8 0.00 0.00 0.069 0.4 152 5230 0 1116 4 21.8 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2077
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.055 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
93 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.059 2099
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.060 2074
sds 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 -0.02 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.061 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
96 0.00 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2048
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2034
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2056
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
100 0.00 0.00 0.00 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
*** 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 13)
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: 0.52 maximum: 0.53
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: