Generate File TITLE: Raw data wedge from goodsignal_1_###.img 1 to 100 at lambda= 0.979725
Crystal Identifier: goodsignal_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 0.00 250.0 1.000 3 4 0.00 0.00 0.074 0.4 171 5310 1 1061 8 19.3 0.4 0.147 16 1.1
2 0.00 0.00 -0.01 250.0 1.000 -3 2 0.00 0.00 0.053 0.3 208 5264 0 1045 8 25.4 -0.7 0.028 42 1.3
3 0.00 0.00 0.00 250.0 1.000 2 -2 0.00 0.00 0.046 0.2 89 5546 2 1145 6 25.5 0.3 0.087 8 1.8
4 0.01 0.00 -0.01 250.0 1.000 4 -6 0.00 0.00 0.051 0.2 101 5549 2 1173 7 36.6 0.3 0.004 6 0.7
5 0.00 0.00 0.00 250.0 1.000 -1 0 0.00 0.00 0.052 0.2 112 5532 1 1167 12 23.9 0.4 0.104 4 1.6
6 -0.01 0.00 0.00 250.0 1.000 -3 4 0.00 0.00 0.041 0.3 104 5525 0 1115 6 26.1 0.3 0.000 0 0.0
7 0.00 0.00 0.00 250.0 1.000 0 2 0.00 0.00 0.071 0.4 127 5466 0 1079 3 22.9 0.4 0.015 2 0.1
8 0.00 0.00 0.01 250.0 1.000 -8 -1 0.00 0.00 0.041 0.2 150 5418 0 1076 4 23.6 0.3 0.048 10 0.9
9 0.00 0.01 -0.01 250.0 1.000 -1 -6 0.00 0.00 0.050 0.1 110 5438 1 1112 6 21.0 2.4 0.267 4 1.6
10 0.00 0.00 0.00 250.0 1.000 -4 4 0.00 0.00 0.050 0.1 109 5424 0 1130 2 23.1 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 78.296 78.296 243.221 90.00 90.00 120.00
Initial missetting angles 0.005 -0.007 -0.014
Cell parameters are not refined
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.770 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 78.30 78.30 243.22 90.00 90.00 120.00 0.85 0.00 0.00 0.045 600
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 78.30 78.30 243.22 90.00 90.00 120.00 0.83 0.00 0.00 0.049 1217
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 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.83 0.00 0.00 0.052 1858
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
5 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.82 0.00 0.00 0.056 1942
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
6 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.82 0.00 0.00 0.059 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
7 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.059 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
8 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.059 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
9 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 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
10 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 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
*** 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 0.00 250.0 1.000 -5 5 0.00 0.00 0.050 0.1 139 5506 0 1101 2 25.8 0.3 0.011 4 0.4
12 0.00 0.00 0.00 250.0 1.000 2 -5 0.00 0.00 0.044 0.2 93 5421 0 1129 8 28.8 0.3 0.022 2 2.4
13 0.00 0.00 0.00 250.0 1.000 0 -1 0.00 0.00 0.050 0.1 141 5466 0 1112 3 22.1 0.3 0.025 2 1.0
14 0.00 0.00 -0.01 250.0 1.000 -1 -3 0.00 0.00 0.045 0.1 128 5449 0 1119 5 24.5 0.2 0.018 4 1.4
15 0.00 -0.01 0.00 250.0 1.000 -1 3 0.00 0.00 0.036 0.1 124 5525 0 1130 13 22.7 0.2 0.000 0 0.0
16 0.00 0.00 0.00 250.0 1.000 -1 0 0.00 0.00 0.036 0.1 123 5452 0 1091 6 30.0 0.3 0.000 0 0.0
17 0.00 0.00 0.00 250.0 1.000 -1 0 0.00 0.00 0.025 0.2 109 5369 0 1087 6 19.5 0.3 0.000 0 0.0
18 0.00 0.00 0.00 250.0 1.000 2 0 0.00 0.00 0.063 0.2 165 5421 0 1059 3 22.0 0.3 0.055 4 0.9
19 0.00 0.00 0.00 250.0 1.000 -2 3 0.00 0.00 0.049 0.1 151 5328 0 1139 3 22.5 0.3 0.000 0 0.0
20 0.00 0.00 -0.01 250.0 1.000 3 -4 0.00 0.00 0.062 0.2 122 5477 0 1126 3 28.0 0.4 0.405 2 1.0
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 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 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
12 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 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
13 0.00 -0.01 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.81 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
14 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 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
15 -0.01 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2032
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2109
sds 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 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.058 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
18 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.056 2078
sds 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 78.30 78.30 243.22 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
20 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2114
sds 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 -0.01 250.0 1.000 0 -3 0.00 0.00 0.051 0.1 148 5515 0 1118 2 21.7 0.3 0.040 6 0.7
22 0.00 0.00 -0.01 250.1 1.000 6 3 0.00 0.00 0.053 0.1 150 5351 0 1085 3 18.7 0.3 0.385 2 1.2
23 0.00 0.00 0.01 250.0 1.000 3 -2 0.00 0.00 0.026 0.3 128 5354 0 1131 3 25.1 0.2 0.000 0 0.0
24 0.00 -0.01 0.00 250.0 1.000 -1 3 0.00 0.00 0.062 0.2 123 5491 0 1145 3 26.8 0.3 0.000 0 0.0
25 0.00 0.00 0.00 250.0 1.000 -4 -2 0.00 0.00 0.015 0.2 136 5577 0 1105 4 33.9 0.3 0.000 0 0.0
26 -0.01 0.00 0.00 250.0 1.000 -6 1 0.00 0.00 0.036 0.1 115 5519 0 1156 3 20.1 0.3 0.000 0 0.0
27 0.00 0.00 0.00 250.1 1.000 3 -4 0.00 0.00 0.053 0.1 146 5293 0 1048 4 23.2 0.3 0.026 2 0.2
28 0.00 0.00 0.00 250.1 1.000 1 3 0.00 0.00 0.030 0.1 156 5267 0 1088 8 23.2 0.4 0.000 0 0.0
29 0.00 0.00 0.00 250.0 1.000 7 5 0.00 0.00 0.066 0.1 161 5320 2 1137 9 19.1 0.4 0.000 0 0.0
30 0.00 -0.01 0.00 250.0 1.000 2 5 0.00 0.00 0.020 0.2 167 5356 1 1077 12 22.5 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
21 0.00 0.01 -0.01 78.30 78.30 243.22 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
22 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 2111
sds 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 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 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
24 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
25 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1962
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
26 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2144
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
28 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.056 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
29 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.060 1900
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
30 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.058 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
*** 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 0.01 0.00 -0.01 250.0 1.000 4 0 0.00 0.00 0.054 0.2 172 5385 0 1078 14 24.3 0.4 0.013 6 0.5
32 0.00 0.00 0.01 250.1 1.000 -2 2 0.00 0.00 0.028 0.2 162 5438 1 1107 13 30.6 0.4 0.000 0 0.0
33 0.00 0.00 0.01 250.1 1.000 5 1 0.00 0.00 0.050 0.3 123 5461 2 1112 10 23.6 0.3 0.000 0 0.0
34 0.00 0.00 -0.01 250.0 1.000 2 6 0.00 0.00 0.052 0.3 123 5440 2 1095 13 27.3 0.3 0.034 56 2.2
35 0.00 0.00 0.00 250.0 1.000 -1 0 0.00 0.00 0.050 0.1 144 5439 2 1064 8 22.5 0.4 0.023 2 0.9
36 0.00 0.00 0.00 250.0 1.000 -3 2 0.00 0.00 0.038 0.2 144 5389 1 1098 9 22.2 0.4 0.046 2 0.5
37 0.00 0.00 0.00 250.0 1.000 3 -2 0.00 0.00 0.057 0.1 149 5351 0 1108 8 26.2 0.4 0.000 0 0.0
38 -0.01 0.01 0.01 250.0 1.000 -8 -2 0.00 0.00 0.033 0.2 144 5322 0 1139 12 19.9 0.3 0.000 0 0.0
39 0.00 0.00 -0.01 250.1 1.000 -4 0 0.00 0.00 0.042 0.3 158 5258 1 1106 12 19.4 0.3 0.000 0 0.0
40 0.00 0.00 0.00 250.1 1.000 2 2 0.00 0.00 0.055 0.1 134 5404 1 1087 5 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
31 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2032
sds 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 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2010
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
33 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
34 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
35 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2168
sds 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 78.30 78.30 243.22 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
37 0.00 0.00 0.00 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
38 0.01 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
39 0.00 0.00 -0.01 78.30 78.30 243.22 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
40 0.00 0.00 -0.01 78.30 78.30 243.22 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
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 2.0A)
41 0.00 -0.01 -0.01 250.1 1.000 6 11 0.00 0.00 0.059 0.3 143 5508 2 1129 3 21.6 0.3 0.000 0 0.0
42 0.00 0.00 0.00 250.0 1.000 -4 -2 0.00 0.00 0.042 0.4 166 5434 0 1078 6 21.8 0.4 0.192 2 1.1
43 0.00 0.00 0.01 250.0 1.000 -1 0 0.00 0.00 0.055 0.2 153 5319 1 1049 4 26.0 0.4 0.000 0 0.0
44 0.00 0.00 0.01 250.1 1.000 1 -4 0.00 0.00 0.038 0.2 140 5288 0 1064 6 21.2 0.4 0.000 0 0.0
45 0.00 0.00 -0.01 250.0 1.000 -4 -5 0.00 0.00 0.036 0.2 163 5483 0 1116 2 37.5 0.4 0.000 0 0.0
46 0.00 0.00 0.00 250.0 1.000 4 -3 0.00 0.00 0.078 0.2 147 5465 0 1170 4 27.5 0.4 0.000 0 0.0
47 0.00 0.00 0.00 250.1 1.000 3 3 0.00 0.00 0.048 0.2 136 5237 0 1099 3 25.0 0.4 0.000 0 0.0
48 0.00 0.00 0.01 250.0 1.000 -3 -2 0.00 0.00 0.054 0.1 159 5445 0 1135 3 19.2 0.4 0.000 0 0.0
49 0.00 0.00 -0.01 250.0 1.000 3 5 0.00 0.00 0.029 0.2 154 5426 1 1100 4 27.8 0.3 0.000 0 0.0
50 0.00 0.00 0.01 250.0 1.000 3 -6 0.00 0.00 0.046 0.2 129 5355 1 1138 10 34.6 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
41 0.00 0.01 -0.01 78.30 78.30 243.22 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
42 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
43 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2155
sds 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 -0.01 -0.01 78.30 78.30 243.22 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
45 0.01 0.01 0.00 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
46 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
47 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
48 0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
49 0.00 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
50 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
*** 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 0.01 250.0 1.000 0 -2 0.00 0.00 0.057 0.1 170 5423 0 1109 4 25.4 0.3 0.000 0 0.0
52 0.00 0.01 0.00 250.0 1.000 0 -4 0.00 0.00 0.043 0.1 125 5358 0 1095 5 28.3 0.3 0.000 0 0.0
53 0.00 0.00 -0.01 250.0 1.000 3 -1 0.00 0.00 0.048 0.1 194 5363 0 1095 0 19.2 0.3 0.045 2 0.2
54 0.00 0.00 0.01 250.0 1.000 -1 -5 0.00 0.00 0.039 0.2 133 5381 2 1151 11 25.3 0.3 0.069 2 0.3
55 0.00 0.00 -0.01 250.0 1.000 2 0 0.00 0.00 0.064 0.2 170 5349 0 1069 6 25.9 0.3 0.133 2 2.0
56 0.00 0.00 0.01 250.1 1.000 -2 -7 0.00 0.00 0.055 0.1 136 5322 1 1085 3 26.9 0.4 0.000 0 0.0
57 0.00 0.00 0.00 250.0 1.000 2 -4 0.00 0.00 0.063 0.1 162 5321 1 1059 5 19.1 0.4 0.000 0 0.0
58 0.00 0.00 0.00 250.0 1.000 1 -1 0.00 0.00 0.018 0.2 149 5424 0 1088 3 25.2 0.4 0.000 0 0.0
59 0.00 0.00 -0.01 250.0 1.000 0 0 0.00 0.00 0.040 0.2 153 5428 0 1057 5 21.7 0.4 0.080 2 0.5
60 0.00 0.00 0.00 250.0 1.000 0 0 0.00 0.00 0.039 0.1 137 5437 0 1081 2 21.8 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
51 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
52 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
53 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 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
54 0.01 0.00 -0.01 78.30 78.30 243.22 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
55 -0.01 0.00 -0.01 78.30 78.30 243.22 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
56 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2045
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
58 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
59 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2017
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
60 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
*** 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 0.00 250.1 1.000 4 -1 0.00 0.00 0.054 0.2 155 5414 0 1102 4 23.8 0.4 0.082 4 2.3
62 0.01 0.00 0.00 250.0 1.000 4 -3 0.00 0.00 0.061 0.1 140 5376 0 1063 5 22.5 0.4 0.010 2 0.0
63 0.00 0.00 0.00 250.0 1.000 0 0 0.00 0.00 0.030 0.1 156 5348 1 1072 1 24.9 0.3 0.000 0 0.0
64 0.00 0.00 0.00 250.1 1.000 1 1 0.00 0.00 0.042 0.2 124 5370 0 1039 3 27.7 0.4 0.027 6 1.5
65 0.00 0.00 -0.01 250.0 1.000 0 0 0.00 0.00 0.027 0.1 171 5329 1 1081 3 22.3 0.4 0.049 2 0.6
66 0.00 0.00 0.00 250.1 1.000 5 7 0.00 0.00 0.055 0.2 160 5348 0 1076 7 23.5 0.4 0.151 2 0.5
67 0.00 0.00 0.01 250.1 1.000 6 -3 0.00 0.00 0.043 0.1 165 5405 0 1126 7 26.4 0.3 0.000 0 0.0
68 0.00 0.00 0.00 250.0 1.000 3 0 0.00 0.00 0.052 0.1 161 5399 0 1032 4 24.4 0.3 0.000 0 0.0
69 0.00 0.00 0.00 250.0 1.000 4 2 0.00 0.00 0.048 0.3 159 5417 1 1112 1 20.2 0.3 0.000 0 0.0
70 0.00 0.00 -0.01 250.0 1.000 2 0 0.00 0.00 0.050 0.2 156 5281 1 1039 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 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.060 2076
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.79 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
63 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.061 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
64 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 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
65 0.00 0.01 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.061 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
66 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.059 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
67 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.061 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
68 0.01 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
69 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
70 0.00 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.060 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
*** 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 -0.01 250.0 1.000 5 3 0.00 0.00 0.037 0.2 173 5313 0 1070 6 23.1 0.3 0.000 0 0.0
72 0.01 0.00 0.00 250.0 1.000 4 -2 0.00 0.00 0.054 0.1 165 5339 0 1044 6 24.0 0.5 0.291 2 0.6
73 0.00 0.00 0.00 250.0 1.000 2 4 0.00 0.00 0.035 0.2 145 5345 0 1063 3 25.7 0.4 0.000 0 0.0
74 0.00 0.00 -0.01 250.0 1.000 -2 -2 0.00 0.00 0.068 0.2 150 5385 0 1109 3 23.8 0.4 0.000 0 0.0
75 0.00 0.00 0.01 250.0 1.000 2 3 0.00 0.00 0.030 0.2 145 5477 0 1113 0 23.8 0.3 0.000 0 0.0
76 0.00 0.00 0.00 250.1 1.000 -3 -2 0.00 0.00 0.039 0.2 132 5407 1 1113 2 30.4 0.3 0.000 0 0.0
77 0.00 0.00 0.00 250.0 1.000 3 -3 0.00 0.00 0.043 0.1 154 5378 0 1124 1 28.6 0.4 0.000 0 0.0
78 0.00 0.00 -0.01 250.0 1.000 -3 0 0.00 0.00 0.051 0.2 162 5415 0 1068 3 21.6 0.4 0.000 0 0.0
79 0.00 0.00 0.00 250.1 1.000 -5 -3 0.00 0.00 0.044 0.1 134 5333 0 1104 5 26.3 0.3 0.000 0 0.0
80 0.00 0.00 0.00 250.0 1.000 -5 -3 0.00 0.00 0.065 0.2 150 5496 0 1069 4 18.4 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
71 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2062
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2095
sds 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 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2075
sds 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 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 2114
sds 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 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
76 0.01 0.00 -0.01 78.30 78.30 243.22 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
77 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
78 0.00 0.00 -0.01 78.30 78.30 243.22 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
79 0.00 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
80 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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
*** 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 0.00 250.0 1.000 -3 -3 0.00 0.00 0.031 0.3 149 5456 1 1037 7 24.5 0.3 0.000 0 0.0
82 0.00 0.00 0.00 250.0 1.000 7 2 0.00 0.00 0.058 0.2 141 5316 0 1095 3 25.9 0.4 0.000 0 0.0
83 0.00 0.00 -0.01 250.0 1.000 -2 -2 0.00 0.00 0.050 0.2 138 5397 1 1114 3 22.7 0.3 0.000 0 0.0
84 0.00 0.00 0.01 250.1 1.000 3 0 0.00 0.00 0.051 0.2 136 5531 1 1092 0 22.1 0.4 0.000 0 0.0
85 0.00 0.00 0.00 250.0 1.000 5 -1 0.00 0.00 0.041 0.2 140 5492 1 1100 5 21.6 0.3 0.000 0 0.0
86 -0.01 0.00 0.00 250.0 1.000 -5 -1 0.00 0.00 0.043 0.2 177 5268 1 1097 6 23.4 1.0 0.002 2 0.2
87 0.00 0.00 -0.01 250.0 1.000 -3 3 0.00 0.00 0.034 0.4 145 5195 0 1051 5 25.7 0.4 0.000 0 0.0
88 0.00 0.00 0.02 250.0 1.000 -6 9 0.00 0.00 0.048 0.3 154 5290 0 1082 4 26.8 0.3 0.000 0 0.0
89 0.00 0.00 -0.01 250.0 1.000 1 1 0.00 0.00 0.018 0.2 151 5372 0 1079 11 26.7 0.3 0.000 0 0.0
90 0.00 0.00 0.01 250.0 1.000 4 3 0.00 0.00 0.039 0.3 149 5405 0 1104 6 26.0 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
81 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.062 2137
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2132
sds 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 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.062 2104
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.062 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
85 0.00 0.01 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 2127
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2182
sds 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 0.02 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 2122
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
89 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1977
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
90 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
*** 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 0.01 250.0 1.000 3 0 0.00 0.00 0.049 0.2 140 5427 1 1041 9 26.0 0.4 0.000 0 0.0
92 0.00 0.01 0.00 250.0 1.000 2 -5 0.00 0.00 0.035 0.1 141 5431 0 1097 8 25.6 0.4 0.016 2 0.4
93 0.00 0.00 -0.01 250.0 1.000 5 -1 0.00 0.00 0.032 0.1 167 5474 1 1104 4 29.4 0.4 0.000 0 0.0
94 0.00 0.00 0.01 250.1 1.000 7 1 0.00 0.00 0.020 0.2 178 5446 1 1152 5 26.9 0.4 0.000 0 0.0
95 0.00 0.00 0.00 250.0 1.000 7 -3 0.00 0.00 0.069 0.1 142 5403 0 1088 8 32.6 0.4 0.041 2 1.1
96 0.00 0.00 0.00 250.1 1.000 -6 -2 0.00 0.00 0.040 0.2 145 5407 1 1093 11 24.7 0.3 0.000 0 0.0
97 0.00 0.00 0.01 250.0 1.000 2 -2 0.00 0.00 0.049 0.3 160 5404 1 1080 9 25.1 3.0 0.000 0 0.0
98 0.00 0.00 -0.02 250.1 1.000 7 1 0.00 0.00 0.050 0.2 141 5422 0 1059 11 23.1 0.4 0.000 0 0.0
99 0.00 0.00 0.01 250.1 1.000 1 -4 0.00 0.00 0.044 0.1 162 5292 0 1068 6 22.5 0.3 0.000 0 0.0
100 0.00 0.00 0.00 250.0 1.000 6 0 0.00 0.00 0.060 0.2 162 5207 0 1054 4 24.5 0.4 0.003 2 0.3
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
91 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
92 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
93 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 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
94 -0.01 0.00 -0.02 78.30 78.30 243.22 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
95 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 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
96 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 2032
sds 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 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 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
98 0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 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
99 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 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
100 -0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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
*** 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: 0.52 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: