Generate File TITLE: Raw data wedge from overlaps_1_###.img 1 to 100 at lambda= 0.979725
Crystal Identifier: overlaps_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 1 -2 0.00 0.00 0.050 0.1 93 5621 0 1206 5 29.8 0.3 0.013 6 0.5
2 0.00 0.00 -0.01 250.1 1.000 1 -1 0.00 0.00 0.041 0.2 95 5602 0 1161 9 26.4 0.3 0.075 6 0.8
3 0.00 0.00 0.00 250.1 1.000 2 3 0.00 0.00 0.042 0.1 107 5592 1 1151 12 22.9 0.4 0.193 12 0.9
4 0.00 0.00 0.00 250.0 1.000 3 -3 0.00 0.00 0.040 0.1 95 5563 1 1175 13 24.6 0.4 0.103 4 1.3
5 0.00 0.00 0.00 250.0 1.000 0 -2 0.00 0.00 0.039 0.2 127 5513 1 1123 10 22.3 0.4 0.116 6 1.3
6 0.00 0.00 0.00 250.1 1.000 3 2 0.00 0.00 0.027 0.2 126 5481 0 1122 8 24.9 0.3 0.024 8 0.9
7 0.00 0.00 0.00 250.0 1.000 1 1 0.00 0.00 0.046 0.2 128 5461 1 1187 4 24.8 0.3 0.023 10 0.9
8 0.00 0.00 0.00 250.1 1.000 6 2 0.00 0.00 0.066 0.2 125 5446 0 1127 0 25.7 0.3 0.143 10 1.3
9 0.00 0.00 -0.01 250.1 1.000 3 1 0.00 0.00 0.043 0.3 137 5427 0 1116 9 18.2 0.3 0.024 10 0.7
10 0.00 0.00 0.01 250.1 1.000 0 -4 0.00 0.00 0.055 0.1 121 5411 0 1135 5 19.6 0.3 0.019 6 0.3
RESULTS OF POSTREFINEMENT
30 successive pairs of images will be used
Each image will have its own missetting angles
Initial cell parameters 78.312 78.312 243.200 90.00 90.00 120.00
Initial missetting angles 0.010 -0.003 0.001
The following cell parameters are being refined:
Beam parameters are being refined
Input values (degrees): mosaic spread (EPS) 0.840 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 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.042 182
sds PSIY 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.045 348
sds PSIY 0.01 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
4 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.050 507
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
5 0.00 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.053 681
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
6 0.00 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.055 859
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
7 0.00 0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.054 1034
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
8 0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.052 1195
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
9 0.00 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.054 1373
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
10 0.01 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1537
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 2.0A)
11 -0.01 0.00 0.00 250.0 1.000 0 1 0.00 0.00 0.058 0.1 160 5465 0 1083 6 29.7 0.3 0.035 16 1.9
12 0.00 0.00 0.00 250.0 1.000 -7 1 0.00 0.00 0.041 0.2 154 5413 1 1099 1 27.7 0.3 0.060 26 2.0
13 0.00 0.00 0.00 250.1 1.000 0 2 0.00 0.00 0.046 0.2 125 5392 0 1130 4 15.3 0.3 0.031 12 0.6
14 0.00 0.00 -0.01 250.0 1.000 6 -3 0.00 0.00 0.060 0.4 158 5452 0 1142 10 29.1 0.3 0.045 24 2.3
15 0.00 0.00 0.00 250.0 1.000 7 -3 0.00 0.00 0.036 0.2 149 5388 0 1199 5 15.7 0.3 0.054 14 0.7
16 0.00 0.00 0.00 250.0 1.000 3 4 0.00 0.00 0.039 0.2 153 5387 0 1100 6 22.6 0.3 0.044 20 1.7
17 0.01 0.00 0.00 250.0 1.000 -1 5 0.00 0.00 0.057 0.4 144 5366 0 1128 3 21.4 0.2 0.194 16 1.2
18 0.00 0.00 -0.01 250.0 1.000 2 3 0.00 0.00 0.035 0.3 160 5293 0 1095 2 24.3 0.3 0.046 20 1.2
19 0.00 0.00 0.00 250.1 1.000 0 -2 0.00 0.00 0.043 0.1 203 5331 0 1067 0 18.6 0.3 0.061 52 1.3
20 0.00 0.00 0.00 250.1 1.000 -1 1 0.00 0.00 0.045 0.1 163 5366 0 1091 4 26.1 0.4 0.059 25 1.8
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
11 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1697
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
12 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 1872
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
13 0.01 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2029
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
14 0.00 0.03 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.057 2197
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
15 0.00 0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2366
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
16 0.01 0.02 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2530
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
17 0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2697
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
18 -0.01 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 2869
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
19 -0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 3033
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
20 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.056 3213
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0 3 0.00 0.00 0.046 0.1 175 5310 0 1081 1 26.5 0.4 0.021 30 1.2
22 0.00 0.00 0.01 250.1 1.000 0 -3 0.00 0.00 0.036 0.2 201 5260 0 1067 3 22.7 0.3 0.061 70 1.7
23 0.00 0.00 0.00 250.0 1.000 -2 -4 0.00 0.00 0.039 0.1 139 5346 0 1012 0 33.0 0.3 0.059 24 3.0
24 0.00 0.00 -0.01 250.0 1.000 3 5 0.00 0.00 0.061 0.3 151 5370 0 1060 0 31.6 0.4 0.033 36 1.6
25 0.00 0.00 0.01 250.0 1.000 -5 5 0.00 0.00 0.036 0.3 183 5364 0 1121 5 29.1 0.2 0.024 62 2.5
26 0.00 0.00 0.01 250.1 1.000 0 4 0.00 0.00 0.049 0.2 164 5295 0 1039 1 28.6 0.3 0.048 54 1.8
27 0.00 0.00 0.00 250.1 1.000 -1 0 0.00 0.00 0.043 0.1 184 5282 2 1032 0 26.1 3.4 0.042 89 1.2
28 0.00 0.00 0.00 250.0 1.000 0 4 0.00 0.00 0.039 0.1 186 5284 0 1045 0 25.2 0.3 0.053 96 2.2
29 0.00 0.00 0.01 250.1 1.000 4 0 0.00 0.00 0.046 0.2 176 5286 0 1026 1 25.1 0.4 0.038 134 1.4
30 0.00 0.00 0.00 250.1 1.000 1 -5 0.00 0.00 0.037 0.3 172 5339 0 1025 1 25.0 0.3 0.044 124 1.7
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
21 0.00 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.057 3387
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
22 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.058 3561
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
23 0.01 0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 3728
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
24 -0.01 -0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 3908
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
25 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 4082
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
26 0.01 0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 4249
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
27 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 4406
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
28 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 4582
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
29 0.01 -0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 4755
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
30 0.00 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.057 4926
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1 -2 0.00 0.00 0.026 0.2 177 5260 0 1033 2 22.4 0.3 0.063 130 1.9
32 0.00 0.00 0.00 250.0 1.000 -1 2 0.00 0.00 0.063 0.1 198 5247 0 981 1 22.9 0.4 0.039 126 1.4
33 0.00 0.01 0.01 250.1 1.000 1 -2 0.00 0.00 0.051 0.2 174 5268 1 983 1 22.2 0.4 0.081 78 1.4
34 0.00 0.00 -0.01 250.0 1.000 -5 3 0.00 0.00 0.063 0.2 197 5221 2 953 2 29.5 0.4 0.021 68 1.4
35 0.00 0.00 0.00 250.1 1.000 5 5 0.00 0.00 0.070 0.1 184 5218 2 1037 2 21.0 0.4 0.054 52 1.3
36 0.00 0.00 0.00 250.0 1.000 1 -2 0.00 0.00 0.041 0.1 175 5213 0 968 1 27.4 0.3 0.047 52 1.8
37 0.00 0.00 0.00 250.1 1.000 1 4 0.00 0.00 0.058 0.1 181 5230 0 982 0 24.4 0.4 0.062 48 1.7
38 0.00 0.01 0.00 250.1 1.000 0 -3 0.00 0.00 0.048 0.1 186 5199 0 925 0 21.4 0.4 0.041 46 1.5
39 0.00 0.00 0.00 250.1 1.000 1 0 0.00 0.00 0.042 0.1 171 5164 0 929 0 23.1 0.4 0.046 34 1.5
40 0.00 0.00 0.00 250.1 1.000 0 2 0.00 0.00 0.051 0.1 180 5161 0 991 0 26.2 4.6 0.025 24 1.6
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
31 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.057 5100
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
32 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5081
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
33 0.00 -0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5087
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
34 -0.01 -0.02 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5098
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
35 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5094
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
36 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5091
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
37 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5097
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
38 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5105
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
39 0.00 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5092
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
40 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5106
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
*** WARNING *** No attempt will be made to measure overloaded reflections
Use keywords PROFILE OVERLOAD to estimate overloads by profile fitting
IMAGE CCX CCY CCOM DIST YSCALE TILT TWIST ROFF TOFF RESID WRESID FULL PART OVRL NEG BAD I/SIGI I/SIGI Rsym Nsym SDRAT
overall (at 2.0A)
41 0.00 0.00 -0.01 250.0 1.000 0 2 0.00 0.00 0.062 0.1 194 5098 0 924 0 25.3 0.4 0.022 38 1.2
42 0.00 0.00 0.01 250.1 1.000 -5 5 0.00 0.00 0.058 0.1 191 5117 0 891 1 28.4 0.4 0.053 36 2.3
43 0.00 0.00 0.00 250.1 1.000 -2 -3 0.00 0.00 0.039 0.2 187 5063 1 895 1 28.5 0.4 0.058 18 1.5
44 0.00 0.00 0.00 250.0 1.000 0 -2 0.00 0.00 0.031 0.2 162 5069 0 918 1 33.7 0.4 0.027 18 1.8
45 0.00 0.00 -0.01 250.0 1.000 -1 -1 0.00 0.00 0.036 0.2 192 5019 0 864 3 26.7 0.3 0.095 28 1.7
46 0.00 0.01 0.01 250.1 1.000 0 -3 0.00 0.00 0.043 0.1 175 4999 0 905 3 28.7 0.3 0.066 14 1.7
47 0.01 0.01 0.00 250.1 1.000 2 -2 0.00 0.00 0.059 0.3 157 4911 0 791 1 21.8 0.3 0.058 8 1.2
48 -0.01 0.00 0.01 250.1 1.000 -3 0 0.00 0.00 0.058 0.3 179 4856 0 775 0 27.0 0.2 0.013 14 1.0
49 0.00 0.01 -0.01 250.1 1.000 0 -11 0.00 0.00 0.057 0.2 149 4759 0 724 0 28.4 0.3 0.037 18 0.9
50 0.00 0.00 0.01 250.1 1.000 2 -6 0.00 0.00 0.055 0.1 163 4690 0 745 0 28.9 0.3 0.027 8 0.5
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
41 0.00 0.00 -0.03 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5116
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
42 -0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5110
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
43 0.00 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.058 5122
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
44 0.01 0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5104
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
45 -0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.060 5113
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
46 0.00 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.060 5116
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
47 0.00 0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.059 5104
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
48 0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.060 5109
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
49 0.00 0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5098
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
50 0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5081
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3 1 0.00 0.00 0.024 0.1 156 4566 0 714 0 25.1 0.2 0.040 12 0.5
52 0.00 0.00 0.00 250.1 1.000 4 0 0.00 0.00 0.059 0.3 165 4447 0 699 0 35.7 0.3 0.049 14 1.6
53 0.00 0.00 0.00 250.1 1.000 -4 2 0.00 0.00 0.048 0.1 148 4318 1 665 0 28.9 0.3 0.120 6 1.7
54 0.00 0.00 0.00 250.1 1.000 0 3 0.00 0.00 0.061 0.4 170 4160 1 674 0 28.5 0.2 0.046 8 1.0
55 0.00 0.00 0.00 250.1 1.000 2 -2 0.00 0.00 0.056 0.1 148 4034 0 632 1 24.3 0.2 0.172 6 2.7
56 0.00 0.00 0.00 250.1 1.000 -1 -1 0.00 0.00 0.072 0.2 166 3832 0 570 0 30.2 0.3 0.113 10 1.4
57 0.00 0.00 0.00 250.0 1.000 -8 1 0.00 0.00 0.082 0.2 144 3649 0 618 0 28.0 0.3 0.066 12 1.9
58 0.00 0.00 0.00 250.1 1.000 -5 2 0.00 0.00 0.029 0.2 93 3410 0 538 1 40.0 0.3 0.184 4 1.3
59 0.00 0.00 0.00 250.1 1.000 4 6 0.00 0.00 0.037 0.2 99 3169 0 565 1 33.5 0.4 0.027 2 0.5
60 0.00 0.00 0.00 250.1 1.000 -4 -4 0.00 0.00 0.035 0.2 98 3112 0 538 0 35.9 0.4 0.032 8 1.4
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 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5083
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
52 0.00 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5075
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
53 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5077
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
54 -0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.060 5051
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
55 -0.02 -0.01 -0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.060 5038
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
56 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.061 5069
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
57 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.062 5097
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
58 0.01 0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.063 5092
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
59 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.063 5070
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
60 0.00 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.064 5035
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1 -1 0.00 0.00 0.025 0.1 84 3128 0 562 1 39.5 0.3 0.033 4 0.3
62 0.00 0.00 0.00 250.1 1.000 3 4 0.00 0.00 0.069 0.2 99 3106 1 523 0 46.3 0.2 0.041 2 0.1
63 0.00 0.00 0.00 250.1 1.000 6 -1 0.00 0.00 0.048 0.2 88 3122 2 520 3 37.4 0.3 0.226 2 0.7
64 0.00 0.00 0.00 250.1 1.000 1 5 0.00 0.00 0.050 0.2 85 3135 1 521 5 31.4 0.3 0.004 2 0.1
65 0.01 0.00 0.00 250.1 1.000 6 -3 0.00 0.00 0.055 0.2 86 3163 1 538 1 44.6 0.3 0.000 0 0.0
66 0.00 0.00 0.00 250.1 1.000 1 -5 0.00 0.00 0.071 0.2 79 3185 2 519 1 38.9 0.4 0.110 4 3.4
67 0.00 0.00 0.00 250.1 1.000 -1 2 0.00 0.00 0.050 0.2 81 3165 1 500 0 37.6 0.5 0.194 6 0.8
68 0.00 0.00 0.00 250.1 1.000 -13 5 0.00 0.00 0.069 0.1 65 3192 0 484 1 33.3 0.3 0.000 0 0.0
69 0.00 0.00 -0.01 250.1 1.000 -1 -3 0.00 0.00 0.047 0.2 90 3185 0 488 0 43.1 0.4 0.427 2 1.6
70 0.00 0.00 0.01 250.1 1.000 1 -1 0.00 0.00 0.035 0.2 80 3155 0 440 0 50.2 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 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.064 5054
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
62 0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.064 5016
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
63 0.00 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.064 4972
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
64 -0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.064 4993
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
65 0.00 -0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.065 4968
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
66 0.01 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.065 4929
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
67 0.00 0.00 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.066 4904
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
68 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.067 4877
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00
69 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.067 4839
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
70 0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.068 4804
sds PSIY 0.01 PSIZ 0.01 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 -6 -4 0.00 0.00 0.076 0.1 66 3131 0 475 1 21.3 0.3 0.263 2 0.4
72 0.00 0.00 0.00 250.1 1.000 4 1 0.00 0.00 0.077 0.2 78 3062 0 441 0 26.6 0.3 0.128 4 2.2
73 0.00 0.00 0.00 250.0 1.000 0 0 0.00 0.00 0.094 0.1 58 3048 0 462 1 30.8 0.3 0.000 0 0.0
74 0.00 0.00 0.00 250.1 1.000 -4 -2 0.00 0.00 0.090 0.1 53 2985 0 483 0 38.5 0.4 0.000 0 0.0
75 0.00 0.00 0.00 250.1 1.000 7 -6 0.00 0.00 0.081 0.2 54 2881 0 401 0 35.6 0.3 0.000 0 0.0
76 0.00 0.00 0.00 250.1 1.000 -5 6 0.00 0.00 0.140 0.1 51 2772 0 416 0 31.6 0.4 0.000 0 0.0
77 0.00 0.00 -0.01 250.1 1.000 -2 2 0.00 0.00 0.050 0.2 51 2640 0 443 1 44.3 0.4 -1.721 2 2.9
78 0.00 0.00 0.01 250.1 1.000 -6 0 0.00 0.00 0.109 0.1 49 2498 0 404 2 59.8 0.3 0.000 0 0.0
79 0.00 -0.01 0.00 250.1 1.000 2 11 0.00 0.00 0.132 0.2 32 2334 1 374 1 34.2 0.3 0.000 0 0.0
80 0.00 0.00 0.00 250.1 1.000 0 -3 0.00 0.00 0.045 0.2 34 2135 0 366 1 71.3 0.3 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
71 0.01 0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.069 4783
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.070 4808
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.071 4823
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.072 4841
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
75 0.01 0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.072 4824
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
76 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.073 4799
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
77 0.01 0.01 -0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.074 4765
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.075 4712
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
79 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.075 4654
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
80 -0.01 -0.01 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.075 4683
sds PSIY 0.01 PSIZ 0.01 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 3 2 0.00 0.00 0.084 0.3 26 1968 0 326 0 111.8 0.3 0.000 0 0.0
82 0.00 0.00 0.00 250.1 1.000 -1 -2 0.00 0.00 0.017 0.4 32 1805 0 291 0 105.4 0.3 0.000 0 0.0
83 0.00 0.00 -0.01 250.1 1.000 1 1 0.00 0.00 0.073 0.2 33 1688 1 306 0 112.6 0.2 0.000 0 0.0
84 0.00 0.00 0.00 250.1 1.000 1 2 0.00 0.00 0.012 0.2 22 1557 0 255 0 78.6 0.4 0.000 0 0.0
85 0.00 0.00 0.01 250.1 1.000 2 -2 0.00 0.00 0.015 0.2 27 1422 0 230 0 82.1 0.3 0.000 0 0.0
86 0.00 0.00 0.00 250.1 1.000 4 -1 0.00 0.00 0.009 0.2 27 1353 0 204 0 103.2 0.3 0.000 0 0.0
87 0.00 0.00 0.00 250.1 1.000 0 3 0.00 0.00 0.031 0.3 26 1217 0 181 0 111.8 0.3 0.000 0 0.0
88 0.00 0.00 0.00 250.1 1.000 1 3 0.00 0.00 0.013 0.4 42 1165 1 155 0 112.7 0.3 0.000 0 0.0
89 0.00 0.00 0.00 250.0 1.000 -3 2 0.00 0.00 0.015 0.3 29 1067 2 152 0 78.8 0.1 0.000 0 0.0
90 0.00 0.00 0.01 250.1 1.000 -2 5 0.00 0.00 0.029 0.4 34 1041 1 138 0 79.7 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
81 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.84 0.00 0.00 0.076 4699
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
82 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.076 4696
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
83 -0.02 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.076 4683
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.83 0.00 0.00 0.076 4663
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
85 0.00 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.076 4662
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
86 0.00 0.00 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.82 0.00 0.00 0.075 4599
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.074 4537
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
88 -0.01 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.81 0.00 0.00 0.074 4513
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
89 -0.01 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.073 4513
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.80 0.00 0.00 0.073 4490
sds PSIY 0.01 PSIZ 0.01 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 4 2 0.00 0.00 0.030 0.4 33 988 1 129 1 107.1 0.0 0.000 0 0.0
92 0.00 0.00 -0.01 250.1 1.000 -2 -1 0.00 0.00 0.013 0.3 42 973 0 101 1 95.2 0.4 0.000 0 0.0
93 0.00 0.00 0.01 250.1 1.000 -3 3 0.00 0.00 0.011 0.3 39 987 2 132 0 140.9 -0.1 0.008 2 1.0
94 0.00 0.00 0.00 250.1 1.000 4 -5 0.00 0.00 0.018 0.5 42 989 1 112 1 102.2 -0.3 0.011 2 1.4
95 0.00 0.00 0.00 250.1 1.000 2 0 0.00 0.00 0.018 0.3 52 1007 1 107 1 80.2 0.6 0.000 0 0.0
96 0.00 0.00 0.00 250.1 1.000 1 4 0.00 0.00 0.013 0.2 46 1045 1 117 1 88.5 0.0 0.094 2 0.6
97 -0.01 0.00 0.00 250.0 1.000 -6 5 0.00 0.00 0.013 0.3 50 1057 2 118 1 86.4 0.2 0.011 2 0.4
98 0.00 0.00 0.00 250.1 1.000 2 -2 0.00 0.00 0.017 0.4 53 1110 1 155 1 97.2 0.2 0.038 2 0.8
99 0.00 0.00 0.00 250.1 1.000 0 14 0.00 0.00 0.017 0.5 62 1157 0 175 1 88.0 0.2 0.058 2 0.7
100 0.00 0.00 -0.01 250.0 1.000 -3 -1 0.00 0.00 0.012 0.3 48 1235 1 162 0 105.5 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
91 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.072 4467
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
92 0.00 0.00 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.79 0.00 0.00 0.072 4468
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
93 -0.01 0.00 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.78 0.00 0.00 0.071 4486
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
94 -0.02 -0.01 0.01 78.31 78.31 243.20 90.00 90.00 120.00 0.77 0.00 0.00 0.071 4444
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
95 -0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.77 0.00 0.00 0.071 4452
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
96 -0.01 0.00 0.00 78.31 78.31 243.20 90.00 90.00 120.00 0.76 0.00 0.00 0.070 4466
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
97 -0.01 0.00 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.75 0.00 0.00 0.068 4481
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
98 -0.01 0.00 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.75 0.00 0.00 0.067 4476
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
99 0.00 0.00 0.02 78.31 78.31 243.20 90.00 90.00 120.00 0.74 0.00 0.00 0.066 4495
sds PSIY 0.01 PSIZ 0.01 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 78.31 78.31 243.20 90.00 90.00 120.00 0.73 0.00 0.00 0.065 4500
sds PSIY 0.01 PSIZ 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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: 0.54 maximum: 0.61
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 0.08.
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: