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 0.01 250.0 1.000 -4 3 0.00 0.00 0.040 0.2 167 5334 1 1016 10 22.3 0.4 0.166 16 1.3
2 0.01 0.00 0.01 250.1 1.000 7 -6 0.00 0.00 0.050 0.2 203 5284 0 1023 10 21.1 1.6 0.030 42 1.4
3 0.00 0.00 0.00 250.0 1.000 -3 -4 0.00 0.00 0.050 0.1 89 5571 2 1135 9 23.5 0.3 0.099 8 1.6
4 -0.01 0.00 0.01 250.0 1.000 -6 -2 0.00 0.00 0.071 0.2 96 5576 2 1156 9 41.8 0.3 0.008 6 1.5
5 0.00 0.00 0.00 250.1 1.000 -2 4 0.00 0.00 0.060 0.3 110 5546 1 1179 12 21.2 0.3 0.075 6 1.3
6 -0.01 0.00 -0.01 250.1 1.000 -5 2 0.00 0.00 0.035 0.3 106 5540 0 1082 5 26.1 0.3 0.000 0 0.0
7 0.00 0.00 0.00 250.1 1.000 -3 1 0.00 0.00 0.051 0.1 123 5492 0 1122 5 22.7 0.3 0.424 2 2.5
8 -0.01 0.00 0.01 250.1 1.000 -9 4 0.00 0.00 0.045 0.2 147 5444 0 1083 5 21.9 0.3 0.067 8 1.5
9 0.00 0.00 -0.01 250.1 1.000 -3 0 0.00 0.00 0.043 0.2 107 5465 1 1104 8 22.5 1.5 0.390 4 1.6
10 -0.01 -0.01 0.00 250.1 1.000 -3 7 0.00 0.00 0.053 0.3 107 5447 0 1135 4 19.5 0.3 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) 0.772 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 0.051 593
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 1202
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 1819
sds 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 0.057 1912
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.061 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
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 0.061 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
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 0.059 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
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 0.060 1993
sds 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 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
*** 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 -1 0.00 0.00 0.038 0.1 136 5527 0 1068 4 24.8 0.4 0.024 4 1.5
12 0.00 0.00 0.01 250.1 1.000 6 2 0.00 0.00 0.036 0.4 98 5428 0 1106 9 21.6 0.3 0.016 2 1.0
13 0.00 0.00 -0.02 250.1 1.000 -2 5 0.00 0.00 0.070 0.1 145 5482 0 1157 3 20.7 0.3 0.018 2 0.6
14 0.00 0.00 0.00 250.1 1.000 -3 -1 0.00 0.00 0.037 0.1 132 5455 0 1115 6 24.4 0.2 0.011 4 0.6
15 0.00 0.00 0.00 250.1 1.000 2 0 0.00 0.00 0.065 0.1 123 5545 0 1110 15 25.4 0.3 0.000 0 0.0
16 0.00 0.00 0.01 250.1 1.000 -2 -1 0.00 0.00 0.039 0.1 124 5463 0 1070 8 28.4 0.3 0.000 0 0.0
17 0.00 0.00 0.00 250.0 1.000 2 0 0.00 0.00 0.054 0.3 111 5384 0 1118 7 20.6 0.3 0.000 0 0.0
18 0.00 0.00 0.00 250.1 1.000 0 -2 0.00 0.00 0.033 0.2 167 5441 0 1072 4 21.1 0.3 0.055 4 0.9
19 0.00 0.00 0.00 250.1 1.000 -2 0 0.00 0.00 0.048 0.3 142 5350 0 1070 4 22.0 0.3 0.000 0 0.0
20 0.00 0.00 0.00 250.1 1.000 -1 2 0.00 0.00 0.049 0.1 122 5490 0 1146 7 34.1 0.3 0.111 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 1947
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.058 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
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 0.059 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
14 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 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
15 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 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
16 0.01 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.055 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
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 1932
sds 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 0.00 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.056 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
19 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 1957
sds 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 0.81 0.00 0.00 0.057 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
*** 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 -0.01 250.1 1.000 1 0 0.00 0.00 0.031 0.1 145 5539 0 1101 6 23.3 0.3 0.053 6 1.0
22 0.00 -0.01 0.00 250.1 1.000 -4 2 0.00 0.00 0.044 0.2 149 5365 0 1098 3 15.3 0.3 0.062 2 0.3
23 0.00 0.00 0.01 250.1 1.000 -4 0 0.00 0.00 0.028 0.3 127 5367 0 1186 6 24.5 0.3 0.000 0 0.0
24 0.00 0.00 0.00 250.0 1.000 -4 -1 0.00 0.00 0.053 0.2 131 5500 0 1135 4 28.6 0.3 0.000 0 0.0
25 -0.01 0.00 -0.01 250.0 1.000 -3 -3 0.00 0.00 0.036 0.2 141 5586 0 1150 7 27.6 0.2 0.000 0 0.0
26 0.00 0.00 0.00 250.1 1.000 -2 0 0.00 0.00 0.048 0.1 118 5528 0 1131 3 20.5 0.3 0.000 0 0.0
27 0.00 0.00 0.00 250.0 1.000 -3 1 0.00 0.00 0.056 0.1 147 5306 0 1084 7 27.4 0.2 0.239 2 2.0
28 0.00 0.01 0.00 250.1 1.000 0 2 0.00 0.00 0.028 0.1 158 5276 0 1057 7 21.0 0.4 0.000 0 0.0
29 0.00 0.00 0.00 250.1 1.000 0 -4 0.00 0.00 0.058 0.1 164 5327 2 1121 13 19.6 0.4 0.000 0 0.0
30 0.00 0.00 0.00 250.1 1.000 1 -3 0.00 0.00 0.037 0.2 170 5352 1 1075 16 24.7 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
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 0.057 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
22 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.052 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
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 0.056 1965
sds 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 0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
25 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 1928
sds 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 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
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 0.055 1993
sds 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 0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
29 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 1837
sds 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
*** 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 -0.01 250.1 1.000 0 5 0.00 0.00 0.042 0.3 174 5386 0 1096 13 27.3 0.4 0.028 6 0.9
32 0.00 0.00 0.00 250.0 1.000 -4 2 0.00 0.00 0.042 0.2 161 5451 1 1051 12 26.1 0.4 0.000 0 0.0
33 0.00 0.00 0.01 250.1 1.000 -5 2 0.00 0.00 0.055 0.1 127 5466 2 1075 11 25.5 0.3 0.000 0 0.0
34 0.00 0.00 -0.01 250.1 1.000 -1 2 0.00 0.00 0.036 0.1 122 5447 2 1023 18 29.3 0.3 0.016 54 1.0
35 0.00 0.00 0.00 250.1 1.000 -1 1 0.00 0.00 0.062 0.2 141 5453 2 1079 11 26.6 0.4 0.013 2 0.5
36 0.00 0.00 0.01 250.1 1.000 2 -1 0.00 0.00 0.038 0.2 147 5410 1 1071 10 23.1 0.4 0.105 2 0.8
37 0.00 0.00 -0.01 250.1 1.000 0 2 0.00 0.00 0.060 0.1 151 5363 0 1093 9 27.7 0.4 0.000 0 0.0
38 0.00 0.00 0.01 250.0 1.000 -4 -1 0.00 0.00 0.041 0.4 141 5344 0 1106 14 22.3 0.4 0.000 0 0.0
39 0.00 0.00 0.00 250.1 1.000 -5 -2 0.00 0.00 0.043 0.1 149 5282 1 1089 14 21.2 0.2 0.000 0 0.0
40 0.00 0.00 0.00 250.1 1.000 -5 3 0.00 0.00 0.038 0.2 131 5421 1 1115 6 22.9 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
31 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 1963
sds 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 1993
sds 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 0.056 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
34 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 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
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 0.056 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
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 0.055 2096
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2044
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 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
39 -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 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
40 -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 1936
sds 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 1 6 0.00 0.00 0.067 0.2 139 5539 2 1118 7 27.7 0.3 0.000 0 0.0
42 0.00 0.00 -0.01 250.1 1.000 4 -1 0.00 0.00 0.055 0.2 164 5451 0 1046 8 19.4 0.3 0.314 2 1.8
43 0.00 0.00 0.00 250.1 1.000 -4 3 0.00 0.00 0.047 0.2 153 5340 1 1089 3 24.1 0.3 0.000 0 0.0
44 0.00 0.00 0.00 250.1 1.000 -1 -2 0.00 0.00 0.030 0.2 140 5305 0 1082 5 19.9 0.3 0.000 0 0.0
45 0.00 0.00 0.00 250.1 1.000 3 2 0.00 0.00 0.031 0.4 163 5496 0 1138 3 31.2 0.3 0.000 0 0.0
46 0.00 0.00 0.00 250.1 1.000 -2 1 0.00 0.00 0.039 0.1 150 5482 0 1103 6 27.5 0.4 0.000 0 0.0
47 0.00 0.00 0.00 250.0 1.000 -5 3 0.00 0.00 0.053 0.2 138 5253 0 1050 5 25.3 0.4 0.000 0 0.0
48 -0.01 0.00 0.01 250.0 1.000 -5 1 0.00 0.00 0.063 0.1 159 5449 0 1135 5 19.4 0.4 0.000 0 0.0
49 0.00 0.00 -0.01 250.1 1.000 -3 5 0.00 0.00 0.073 0.2 155 5432 1 1074 7 26.5 0.3 0.000 0 0.0
50 0.00 0.00 0.01 250.1 1.000 2 0 0.00 0.00 0.042 0.1 130 5357 1 1094 12 29.7 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 -0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2001
sds 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 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
43 -0.01 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
44 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 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
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 0.058 1943
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
47 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 1995
sds 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 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
49 -0.01 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
50 0.00 -0.01 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 1931
sds 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 1 0.00 0.00 0.058 0.2 177 5428 0 1078 5 25.0 0.3 0.000 0 0.0
52 0.00 0.01 0.01 250.1 1.000 5 -6 0.00 0.00 0.062 0.2 126 5350 0 1112 8 23.2 0.3 0.000 0 0.0
53 0.00 0.00 -0.01 250.1 1.000 0 -4 0.00 0.00 0.052 0.1 201 5368 0 1129 6 19.8 0.2 0.156 2 1.0
54 -0.01 0.00 0.00 250.0 1.000 -7 2 0.00 0.00 0.055 0.2 136 5389 2 1116 11 23.4 0.3 0.012 2 0.0
55 0.00 0.00 0.00 250.0 1.000 -6 -2 0.00 0.00 0.067 0.1 175 5352 0 1065 8 26.6 0.3 0.007 2 0.1
56 0.00 0.00 0.00 250.1 1.000 -2 -5 0.00 0.00 0.071 0.1 140 5324 1 1095 5 28.4 0.4 0.000 0 0.0
57 0.00 0.00 0.01 250.1 1.000 0 0 0.00 0.00 0.032 0.1 169 5314 1 1053 7 18.9 0.4 0.000 0 0.0
58 0.00 0.00 0.00 250.0 1.000 -3 -2 0.00 0.00 0.039 0.2 155 5437 0 1149 8 22.6 0.3 0.000 0 0.0
59 0.00 0.00 -0.01 250.1 1.000 3 -5 0.00 0.00 0.041 0.1 153 5450 0 1071 8 20.1 0.3 0.035 2 0.2
60 0.00 0.00 -0.01 250.1 1.000 0 -1 0.00 0.00 0.051 0.1 135 5449 0 1077 4 20.0 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 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
52 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 1982
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
54 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 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
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 0.054 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
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 2004
sds 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 0.056 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
58 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 2007
sds 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 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
60 -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 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
*** 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 0.00 -0.01 250.0 1.000 1 2 0.00 0.00 0.061 0.2 156 5434 0 1092 5 22.4 0.3 0.084 4 2.0
62 0.00 0.00 0.01 250.1 1.000 1 -3 0.00 0.00 0.030 0.2 138 5393 0 1078 6 23.1 0.4 0.162 2 0.6
63 0.00 0.01 0.00 250.1 1.000 -2 -7 0.00 0.00 0.022 0.1 155 5373 1 1083 4 21.4 0.3 0.000 0 0.0
64 0.00 0.00 0.00 250.1 1.000 1 -4 0.00 0.00 0.038 0.2 124 5390 0 1053 5 27.7 0.4 0.038 8 1.6
65 0.00 0.00 0.00 250.1 1.000 2 1 0.00 0.00 0.032 0.3 168 5352 1 1051 3 21.4 0.3 0.048 2 0.8
66 0.00 0.00 0.00 250.1 1.000 0 4 0.00 0.00 0.028 0.1 161 5363 0 1110 7 23.4 0.3 0.030 2 0.2
67 0.00 0.00 0.00 250.1 1.000 -5 0 0.00 0.00 0.036 0.2 161 5431 0 1178 10 25.8 0.2 0.000 0 0.0
68 0.00 0.00 0.00 250.1 1.000 0 4 0.00 0.00 0.044 0.2 157 5414 0 1059 4 23.7 0.3 0.000 0 0.0
69 0.00 0.00 0.00 250.1 1.000 -5 -2 0.00 0.00 0.043 0.3 163 5422 1 1139 4 20.4 0.3 0.000 0 0.0
70 0.00 0.00 0.00 250.0 1.000 -5 0 0.00 0.00 0.050 0.2 150 5315 1 1092 5 23.8 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
61 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 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
62 0.00 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 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
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 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
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 0.059 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
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 0.057 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
66 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 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
67 -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 1959
sds 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 1912
sds 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 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
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 0.058 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
*** 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 0.01 250.1 1.000 3 -1 0.00 0.00 0.037 0.3 174 5332 0 1048 8 24.6 0.3 0.000 0 0.0
72 0.00 0.00 -0.01 250.1 1.000 1 0 0.00 0.00 0.044 0.3 162 5363 0 1072 10 26.9 0.4 0.386 2 0.7
73 0.00 0.00 -0.01 250.0 1.000 -4 -3 0.00 0.00 0.034 0.2 146 5365 0 1003 4 23.4 0.4 0.000 0 0.0
74 0.00 0.00 0.01 250.1 1.000 -6 2 0.00 0.00 0.035 0.2 148 5400 0 1123 7 26.4 0.3 0.000 0 0.0
75 0.00 0.00 0.00 250.1 1.000 0 3 0.00 0.00 0.029 0.1 145 5498 0 1127 2 23.6 0.3 0.000 0 0.0
76 0.00 0.00 0.00 250.1 1.000 -6 -3 0.00 0.00 0.033 0.1 128 5431 1 1093 3 33.2 0.3 0.000 0 0.0
77 0.00 0.00 0.00 250.1 1.000 1 -6 0.00 0.00 0.050 0.2 147 5399 0 1102 4 27.8 0.3 0.000 0 0.0
78 0.00 0.00 -0.01 250.1 1.000 0 -1 0.00 0.00 0.042 0.1 164 5429 0 1063 6 21.5 0.4 0.000 0 0.0
79 0.01 0.00 0.00 250.1 1.000 6 6 0.00 0.00 0.037 0.3 138 5363 0 1137 5 25.0 0.3 0.000 0 0.0
80 0.00 0.00 0.01 250.0 1.000 -6 0 0.00 0.00 0.046 0.2 151 5509 0 1140 6 17.0 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 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2008
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
73 -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 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
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 0.059 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
75 0.00 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
76 -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 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
77 -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 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
78 -0.01 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
79 0.00 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
80 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 1976
sds 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 0.00 250.1 1.000 -1 1 0.00 0.00 0.038 0.2 148 5466 1 1076 10 24.5 0.3 0.000 0 0.0
82 0.00 0.00 0.00 250.1 1.000 2 -6 0.00 0.00 0.075 0.2 145 5320 0 1076 7 26.8 0.4 0.000 0 0.0
83 0.00 0.00 0.01 250.1 1.000 -3 -8 0.00 0.00 0.060 0.1 139 5399 1 1102 7 24.3 0.3 0.000 0 0.0
84 0.00 0.00 -0.01 250.1 1.000 0 -3 0.00 0.00 0.031 0.2 143 5538 1 1087 3 22.4 0.4 0.000 0 0.0
85 0.00 0.00 0.00 250.1 1.000 -5 1 0.00 0.00 0.051 0.2 143 5498 1 1091 8 26.2 0.3 0.000 0 0.0
86 0.00 0.00 0.00 250.0 1.000 -3 2 0.00 0.00 0.045 0.3 174 5279 1 1083 10 23.4 0.9 0.010 2 2.0
87 -0.01 0.00 0.00 250.1 1.000 -3 5 0.00 0.00 0.039 0.2 146 5213 0 1039 5 24.8 0.4 0.000 0 0.0
88 0.00 0.02 0.01 250.1 1.000 6 -5 0.00 0.00 0.041 0.2 153 5314 0 1088 5 22.5 0.3 0.000 0 0.0
89 0.00 0.00 -0.01 250.1 1.000 2 3 0.00 0.00 0.031 0.2 144 5395 0 1092 13 23.4 0.3 0.000 0 0.0
90 0.00 0.00 0.00 250.1 1.000 -4 -2 0.00 0.00 0.043 0.3 148 5424 0 1102 9 28.6 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
81 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 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
82 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 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
83 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 1982
sds 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 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1941
sds 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 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
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 0.057 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
87 -0.01 0.00 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
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 0.056 1975
sds 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 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1944
sds 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 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.81 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
*** 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 -4 -3 0.00 0.00 0.032 0.2 139 5455 1 1106 13 25.5 0.4 0.000 0 0.0
92 0.00 0.00 0.00 250.1 1.000 2 -5 0.00 0.00 0.055 0.2 133 5460 0 1121 8 26.1 0.3 0.044 2 1.2
93 0.00 0.00 0.00 250.1 1.000 -3 1 0.00 0.00 0.035 0.1 159 5515 1 1125 8 38.1 0.4 0.000 0 0.0
94 0.00 0.00 -0.01 250.1 1.000 -6 1 0.00 0.00 0.037 0.2 164 5497 1 1125 12 27.8 0.4 0.000 0 0.0
95 -0.01 0.00 0.00 250.1 1.000 -3 0 0.00 0.00 0.058 0.3 140 5438 0 1094 8 30.9 0.4 0.022 2 0.6
96 0.00 0.00 0.00 250.1 1.000 -2 1 0.00 0.00 0.023 0.1 143 5427 1 1081 12 26.9 0.4 0.000 0 0.0
97 0.00 0.00 0.01 250.1 1.000 -4 0 0.00 0.00 0.038 0.2 161 5416 1 1132 11 25.9 5.7 0.000 0 0.0
98 0.00 0.01 0.01 250.1 1.000 -4 -6 0.00 0.00 0.050 0.2 142 5429 0 1116 11 21.1 0.4 0.000 0 0.0
99 0.00 0.00 -0.01 250.1 1.000 0 4 0.00 0.00 0.036 0.3 165 5312 0 1090 6 22.2 0.3 0.000 0 0.0
100 -0.01 0.00 0.00 250.1 1.000 -8 -4 0.00 0.00 0.040 0.2 160 5234 0 1124 4 22.4 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
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 0.055 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
92 -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 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
93 -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 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
94 -0.01 0.01 -0.01 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
95 -0.01 0.00 -0.02 78.32 78.32 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
96 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 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
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 1974
sds 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 0.059 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
99 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 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
100 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 1983
sds 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: