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 -0.01 0.00 250.1 1.000 3 -1 0.00 0.00 0.040 0.4 178 5287 1 1053 8 17.5 0.4 0.141 16 0.9
2 0.00 0.00 0.00 250.1 1.000 -1 1 0.00 0.00 0.052 0.2 214 5246 2 1030 8 23.4 -0.8 0.028 42 1.3
3 0.00 0.00 0.00 250.0 1.000 2 7 0.00 0.00 0.037 0.2 99 5514 2 1119 6 25.9 0.3 0.112 10 1.7
4 0.00 0.00 -0.01 250.0 1.000 -2 -4 0.00 0.00 0.046 0.1 109 5513 2 1157 7 44.4 0.3 0.007 8 1.9
5 0.00 0.00 0.01 250.0 1.000 2 1 0.00 0.00 0.033 0.1 121 5503 1 1156 12 22.3 0.4 0.059 6 1.0
6 0.00 0.00 0.00 250.0 1.000 1 -1 0.00 0.00 0.038 0.2 118 5487 0 1088 6 28.2 0.3 0.000 0 0.0
7 0.00 0.00 0.00 250.0 1.000 0 -1 0.00 0.00 0.047 0.3 133 5441 0 1059 3 24.0 0.4 0.027 2 0.2
8 0.00 0.00 -0.01 250.1 1.000 6 1 0.00 0.00 0.048 0.2 155 5401 0 1099 4 24.3 0.3 0.050 10 1.0
9 0.00 0.00 0.00 250.0 1.000 1 -2 0.00 0.00 0.032 0.2 119 5417 1 1093 6 22.3 2.1 0.250 4 1.5
10 0.00 0.00 0.00 250.0 1.000 5 0 0.00 0.00 0.059 0.2 111 5407 0 1123 2 23.0 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 78.296 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) 0.766 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 0.84 0.00 0.00 0.046 595
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 0.01 0.00 0.00 78.30 78.30 243.22 90.00 90.00 120.00 0.83 0.00 0.00 0.049 1200
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 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.82 0.00 0.00 0.051 1818
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
5 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.82 0.00 0.00 0.054 1896
sds 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 0.81 0.00 0.00 0.058 1954
sds 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 0.058 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
8 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 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
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 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
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 0.056 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)
11 0.00 0.00 0.00 250.0 1.000 -2 3 0.00 0.00 0.057 0.1 144 5488 0 1089 2 26.1 0.3 0.012 4 0.5
12 0.01 0.00 -0.01 250.1 1.000 7 2 0.00 0.00 0.043 0.2 100 5409 0 1122 8 26.0 0.3 0.022 2 2.6
13 0.00 0.00 0.01 250.0 1.000 4 0 0.00 0.00 0.057 0.2 145 5449 0 1128 3 20.1 0.3 0.014 2 0.5
14 0.00 0.00 0.00 250.0 1.000 -4 -5 0.00 0.00 0.035 0.2 133 5435 0 1111 5 24.3 0.2 0.015 4 1.4
15 0.00 0.00 0.00 250.0 1.000 1 4 0.00 0.00 0.031 0.2 124 5516 0 1124 13 26.1 0.2 0.000 0 0.0
16 0.00 0.00 0.00 250.0 1.000 2 -3 0.00 0.00 0.034 0.1 125 5443 0 1082 6 29.1 0.3 0.000 0 0.0
17 0.00 0.00 0.00 250.0 1.000 1 -5 0.00 0.00 0.028 0.2 111 5361 0 1092 6 20.0 0.3 0.000 0 0.0
18 0.00 0.00 0.00 250.0 1.000 0 0 0.00 0.00 0.053 0.1 171 5408 0 1051 3 20.6 0.3 0.051 4 0.9
19 0.00 0.00 0.00 250.0 1.000 -4 -3 0.00 0.00 0.057 0.1 155 5309 0 1134 3 22.1 0.3 0.000 0 0.0
20 0.00 0.00 -0.01 250.0 1.000 1 -3 0.00 0.00 0.048 0.2 125 5463 0 1112 3 27.6 0.4 0.319 2 0.8
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
11 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.81 0.00 0.00 0.057 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
12 -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 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
13 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 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
14 -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 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
15 -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 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
16 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 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
17 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 1914
sds 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 0.80 0.00 0.00 0.057 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
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 0.057 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
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 2072
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** 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 3 2 0.00 0.00 0.054 0.1 153 5501 0 1117 2 22.5 0.3 0.033 6 0.5
22 0.00 0.00 0.00 250.0 1.000 2 -2 0.00 0.00 0.048 0.1 154 5332 0 1066 3 23.5 0.3 0.421 2 1.3
23 0.00 0.00 0.00 250.0 1.000 3 3 0.00 0.00 0.029 0.3 130 5331 0 1126 3 24.6 0.3 0.000 0 0.0
24 0.00 -0.01 0.00 250.0 1.000 -3 5 0.00 0.00 0.072 0.1 126 5474 0 1125 3 24.7 0.3 0.000 0 0.0
25 0.00 0.00 0.00 250.0 1.000 3 3 0.00 0.00 0.034 0.2 142 5558 0 1092 4 34.4 0.3 0.000 0 0.0
26 0.00 0.00 0.00 250.0 1.000 4 -2 0.00 0.00 0.043 0.1 119 5502 0 1143 3 24.0 0.3 0.000 0 0.0
27 0.00 0.00 -0.01 250.0 1.000 -7 -1 0.00 0.00 0.065 0.3 151 5283 0 1051 4 24.8 0.3 0.058 2 0.4
28 0.00 0.00 0.01 250.0 1.000 4 -3 0.00 0.00 0.026 0.1 163 5256 0 1062 7 23.1 0.3 0.000 0 0.0
29 0.00 0.00 0.00 250.1 1.000 2 0 0.00 0.00 0.051 0.3 165 5310 2 1111 8 20.6 0.4 0.000 0 0.0
30 0.00 0.00 0.00 250.1 1.000 3 0 0.00 0.00 0.024 0.1 168 5343 1 1072 13 22.4 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 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
22 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 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
23 -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 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
24 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
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 1901
sds 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 0.057 2079
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
27 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 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
28 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 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
29 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 1836
sds 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 0.80 0.00 0.00 0.057 1908
sds 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 0.00 250.1 1.000 8 0 0.00 0.00 0.054 0.2 175 5369 0 1068 13 25.1 0.3 0.010 6 0.5
32 -0.01 0.00 0.00 250.0 1.000 -8 0 0.00 0.00 0.062 0.2 159 5440 1 1102 13 28.2 0.4 0.000 0 0.0
33 0.00 0.00 0.00 250.0 1.000 0 0 0.00 0.00 0.045 0.2 125 5452 2 1093 9 27.7 0.3 0.000 0 0.0
34 0.00 0.00 -0.01 250.0 1.000 3 3 0.00 0.00 0.037 0.2 125 5427 2 1072 13 27.5 0.3 0.034 58 2.2
35 0.00 0.00 0.01 250.0 1.000 -1 -1 0.00 0.00 0.044 0.1 145 5430 2 1053 8 22.7 0.4 0.026 2 1.0
36 0.00 0.00 0.00 250.1 1.000 -2 2 0.00 0.00 0.035 0.1 147 5381 1 1081 9 22.3 0.4 0.047 2 0.5
37 0.00 0.00 0.00 250.0 1.000 1 0 0.00 0.00 0.051 0.1 153 5343 0 1098 9 27.7 0.4 0.000 0 0.0
38 0.00 0.00 0.00 250.0 1.000 -3 -1 0.00 0.00 0.024 0.1 147 5312 0 1155 12 22.8 0.3 0.000 0 0.0
39 0.00 0.00 0.00 250.0 1.000 1 2 0.00 0.00 0.039 0.1 161 5238 1 1084 12 22.2 0.3 0.000 0 0.0
40 0.00 0.00 0.00 250.0 1.000 -4 1 0.00 0.00 0.050 0.1 142 5393 1 1088 4 23.3 0.4 0.000 0 0.0
RESULTS OF POSTREFINEMENT
Image PHIX PHIY PHIZ A B C ALPHA BETA GAMMA MOSAIC DIVH DIVV Resid NR
31 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
33 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 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
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 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
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 0.056 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
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 0.056 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
37 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 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
38 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 2026
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
39 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.058 1955
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 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)
41 0.00 0.00 -0.01 250.0 1.000 -6 0 0.00 0.00 0.043 0.2 147 5492 2 1097 4 26.6 0.3 0.000 0 0.0
42 0.00 0.00 0.00 250.0 1.000 -1 -2 0.00 0.00 0.028 0.1 173 5415 0 1080 6 22.8 0.3 0.195 2 1.1
43 0.00 0.00 0.00 250.0 1.000 3 -1 0.00 0.00 0.064 0.2 155 5310 1 1043 4 23.5 0.3 0.000 0 0.0
44 0.01 0.00 0.00 250.0 1.000 4 -3 0.00 0.00 0.034 0.2 143 5278 0 1091 6 20.9 0.4 0.000 0 0.0
45 0.01 0.00 0.00 250.0 1.000 8 1 0.00 0.00 0.043 0.3 167 5469 0 1128 2 31.6 0.3 0.000 0 0.0
46 -0.01 0.01 0.01 250.0 1.000 -3 -7 0.00 0.00 0.069 0.2 154 5446 0 1164 2 24.1 0.4 0.000 0 0.0
47 0.01 0.00 -0.01 250.0 1.000 6 0 0.00 0.00 0.045 0.2 142 5215 0 1100 2 23.7 0.3 0.000 0 0.0
48 0.00 0.00 0.00 250.0 1.000 -2 0 0.00 0.00 0.047 0.2 159 5433 0 1160 3 20.4 0.4 0.000 0 0.0
49 0.00 0.00 -0.01 250.0 1.000 -1 1 0.00 0.00 0.025 0.2 156 5421 1 1095 5 26.2 0.3 0.000 0 0.0
50 0.00 0.00 0.00 250.0 1.000 2 -3 0.00 0.00 0.041 0.1 132 5353 1 1138 10 33.6 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 0.00 -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
42 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 2061
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
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 0.055 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
44 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 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
45 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 1934
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
46 0.01 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.056 1952
sds 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 0.055 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
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 0.058 1949
sds 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 -0.01 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
50 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 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
*** 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 0.00 250.0 1.000 3 -3 0.00 0.00 0.059 0.1 173 5416 0 1107 4 22.4 0.3 0.000 0 0.0
52 -0.01 0.00 0.00 250.0 1.000 -2 -1 0.00 0.00 0.049 0.1 128 5345 0 1080 4 28.4 0.3 0.000 0 0.0
53 -0.01 0.00 -0.01 250.0 1.000 -5 2 0.00 0.00 0.048 0.2 198 5359 0 1085 1 18.3 0.3 0.030 2 0.1
54 0.00 0.00 0.01 250.0 1.000 -4 0 0.00 0.00 0.028 0.2 137 5363 2 1133 11 26.3 0.3 0.021 2 0.1
55 0.00 0.00 0.00 250.1 1.000 -3 1 0.00 0.00 0.062 0.2 174 5336 0 1078 6 24.6 0.3 0.113 2 1.7
56 0.00 0.00 0.01 250.0 1.000 -4 3 0.00 0.00 0.052 0.2 138 5306 1 1079 3 24.4 0.4 0.000 0 0.0
57 0.00 -0.01 -0.01 250.0 1.000 -3 4 0.00 0.00 0.043 0.1 170 5305 1 1056 5 16.5 0.4 0.000 0 0.0
58 0.00 -0.02 -0.01 250.0 1.000 -3 12 0.00 0.00 0.053 0.4 151 5415 0 1086 3 17.8 0.3 0.000 0 0.0
59 0.00 0.00 0.01 250.1 1.000 5 -3 0.00 0.00 0.057 0.2 158 5406 0 1048 5 18.8 0.4 0.046 2 0.3
60 0.00 0.00 0.00 250.0 1.000 2 -3 0.00 0.00 0.035 0.2 139 5421 0 1074 2 20.7 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
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 0.056 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
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 0.054 1999
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
53 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 2084
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
54 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 2014
sds 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 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
56 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 1981
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
57 0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.057 1980
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
58 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.056 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
59 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.056 1967
sds 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 0.79 0.00 0.00 0.060 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
*** 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 0.00 250.0 1.000 3 -3 0.00 0.00 0.043 0.1 165 5399 0 1071 4 21.9 0.3 0.080 4 2.2
62 0.00 0.00 -0.01 250.1 1.000 5 2 0.00 0.00 0.074 0.1 144 5365 0 1049 4 22.1 0.3 0.011 2 0.0
63 0.00 0.00 0.00 250.0 1.000 2 1 0.00 0.00 0.018 0.3 160 5339 1 1087 1 24.1 0.3 0.000 0 0.0
64 0.00 0.00 0.01 250.0 1.000 1 1 0.00 0.00 0.037 0.2 126 5360 0 1043 4 29.3 0.4 0.030 8 1.4
65 0.00 0.00 0.01 250.0 1.000 2 -1 0.00 0.00 0.035 0.1 176 5313 1 1082 3 21.2 0.3 0.057 2 0.6
66 0.01 0.00 0.00 250.0 1.000 1 -2 0.00 0.00 0.037 0.2 164 5340 0 1080 7 19.9 0.4 0.198 2 0.8
67 0.00 0.00 0.00 250.0 1.000 4 -1 0.00 0.00 0.038 0.1 167 5399 0 1117 7 25.3 0.3 0.000 0 0.0
68 0.00 0.00 -0.01 250.0 1.000 2 2 0.00 0.00 0.049 0.1 162 5391 0 1034 4 24.8 0.3 0.000 0 0.0
69 -0.01 0.00 0.00 250.0 1.000 -4 7 0.00 0.00 0.056 0.1 163 5407 1 1123 1 19.5 0.3 0.000 0 0.0
70 0.00 0.00 0.01 250.1 1.000 -3 2 0.00 0.00 0.049 0.2 156 5275 1 1019 0 24.2 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 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.060 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
62 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 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
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 0.059 1967
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.79 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
65 0.00 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.059 2006
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
66 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.058 1990
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
67 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.059 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
68 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 1907
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
69 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 0.00 0.00 0.061 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
70 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 2041
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** 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 2 -2 0.00 0.00 0.029 0.2 175 5311 0 1072 6 23.2 0.3 0.000 0 0.0
72 0.00 0.00 0.00 250.0 1.000 -2 -1 0.00 0.00 0.055 0.2 165 5334 0 1046 7 27.4 0.5 0.271 2 0.6
73 0.00 0.00 0.00 250.0 1.000 -2 6 0.00 0.00 0.028 0.2 147 5340 0 1075 3 26.1 0.4 0.000 0 0.0
74 0.00 0.00 -0.01 250.0 1.000 3 -5 0.00 0.00 0.061 0.1 149 5380 0 1138 3 24.6 0.3 0.000 0 0.0
75 0.00 -0.01 0.01 250.0 1.000 4 2 0.00 0.00 0.031 0.2 145 5473 0 1128 0 22.5 0.3 0.000 0 0.0
76 0.00 -0.01 0.00 250.1 1.000 -2 -3 0.00 0.00 0.034 0.2 132 5406 1 1113 2 31.6 0.3 0.000 0 0.0
77 0.00 0.00 0.00 250.0 1.000 -1 -1 0.00 0.00 0.039 0.2 154 5380 0 1126 1 31.8 0.3 0.000 0 0.0
78 0.00 0.01 0.00 250.0 1.000 0 -8 0.00 0.00 0.050 0.2 161 5416 0 1071 3 16.7 0.3 0.000 0 0.0
79 -0.01 -0.01 -0.01 250.0 1.000 -6 2 0.00 0.00 0.032 0.2 135 5331 0 1113 5 22.8 0.3 0.000 0 0.0
80 0.00 0.00 0.00 250.0 1.000 -1 -1 0.00 0.00 0.061 0.1 150 5487 0 1071 4 17.4 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 0.00 0.00 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.79 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
72 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 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
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 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
74 -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 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
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 0.058 2009
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
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 1986
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
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 0.057 1986
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
78 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 1986
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
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 0.057 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
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 0.058 1981
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** 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 2 -1 0.00 0.00 0.034 0.2 152 5453 1 1043 7 25.1 0.3 0.000 0 0.0
82 0.00 0.00 -0.01 250.0 1.000 1 0 0.00 0.00 0.054 0.2 142 5312 0 1095 5 25.7 0.4 0.000 0 0.0
83 0.00 0.00 0.00 250.0 1.000 -2 -1 0.00 0.00 0.037 0.2 137 5397 1 1106 3 23.2 0.3 0.000 0 0.0
84 0.00 0.00 0.01 250.0 1.000 -2 0 0.00 0.00 0.021 0.2 137 5528 1 1101 0 22.6 0.4 0.000 0 0.0
85 0.00 -0.02 0.00 250.0 1.000 -8 1 0.00 0.00 0.040 0.2 141 5492 1 1092 5 17.4 0.3 0.000 0 0.0
86 0.00 0.00 -0.01 250.0 1.000 2 3 0.00 0.00 0.044 0.2 176 5271 1 1095 6 24.5 0.9 0.002 2 0.5
87 0.00 0.00 0.01 250.0 1.000 0 -1 0.00 0.00 0.048 0.2 145 5191 0 1035 5 24.5 0.4 0.000 0 0.0
88 0.00 -0.01 0.01 250.0 1.000 -3 8 0.00 0.00 0.044 0.2 152 5284 0 1073 4 27.2 0.3 0.000 0 0.0
89 0.00 0.00 -0.02 250.0 1.000 3 -8 0.00 0.00 0.019 0.1 154 5358 0 1064 11 22.2 0.3 0.000 0 0.0
90 0.00 0.00 0.01 250.1 1.000 -6 0 0.00 0.00 0.055 0.4 154 5391 0 1111 8 27.3 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
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 0.061 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
82 0.00 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.061 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
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 0.061 2047
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
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 0.061 1964
sds 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 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 2063
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
86 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 2118
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
87 0.01 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.053 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
88 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 1930
sds 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 0.055 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
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 0.055 2014
sds 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 0.01 0.00 0.00 250.1 1.000 6 -3 0.00 0.00 0.043 0.2 142 5417 1 1036 9 22.4 0.4 0.000 0 0.0
92 0.00 -0.01 -0.01 250.0 1.000 3 4 0.00 0.00 0.046 0.2 143 5420 0 1092 8 23.6 0.4 0.023 2 0.6
93 0.00 0.00 0.01 250.0 1.000 1 1 0.00 0.00 0.025 0.2 165 5467 1 1100 4 27.4 0.3 0.000 0 0.0
94 0.00 0.00 0.00 250.0 1.000 -5 0 0.00 0.00 0.040 0.1 177 5447 1 1146 6 23.0 0.4 0.000 0 0.0
95 -0.01 0.05 0.02 250.0 1.000 -2 -15 0.00 0.00 0.056 0.3 142 5399 0 1047 9 16.7 0.3 0.040 2 1.0
96 0.00 0.00 -0.02 250.0 1.000 5 -5 0.00 0.00 0.044 0.3 146 5401 1 1074 10 26.8 0.3 0.000 0 0.0
97 0.00 0.00 -0.01 250.0 1.000 3 0 0.00 0.00 0.029 0.2 159 5403 1 1073 9 26.3 0.3 0.000 0 0.0
98 0.01 0.00 0.01 250.1 1.000 4 2 0.00 0.00 0.031 0.1 146 5421 0 1050 11 23.4 0.3 0.000 0 0.0
99 -0.01 0.00 0.01 250.0 1.000 -3 0 0.00 0.00 0.057 0.2 161 5295 0 1048 6 19.8 0.3 0.000 0 0.0
100 -0.02 0.01 0.00 250.0 1.000 -7 1 0.00 0.00 0.067 0.3 161 5218 0 1068 4 18.5 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 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.052 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
92 -0.01 0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.054 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
93 -0.01 0.00 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.057 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
94 -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 1999
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
95 0.00 -0.02 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 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
96 0.00 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.060 1969
sds 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 -0.02 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.059 1987
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
98 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
99 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 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
100 -0.01 -0.01 -0.01 78.30 78.30 243.22 90.00 90.00 120.00 0.80 0.00 0.00 0.055 1954
sds PSIY 0.00 PSIZ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00
*** For information only. ***
PARTIALS INCLUDED IN POSITIONAL REFINEMENT AND PROFILES
=======================================================
Because there were rather few fully recorded reflections in the central region
of the first image, partials have been included both in the positional
refinement and in profile formation.
(The minimum number (eg 20) is set by keywords: REFINEMENT NREF 20 )
This is equivalent to including keywords:
REFINEMENT INCLUDE PARTIALS 0.50
PROFILE PARTIALS
*** Warning messages ***
EXCESSIVE NUMBER OF BADSPOTS
============================
At least some images have rather a lot of badspots (Maximum number 13)
They are rejected on the basis of:
1) Poor profile fit (PKRATIO >3, controlled by REJECTION PKRATIO).
2) Too large a BGRATIO (too much background variation, controlled by
REJECTION BGRATIO).
3) Too large a background gradient (controlled by REJECTION GRADMAX)
4) Intensity negative and more than 5 sigma.
Look at the list of badspots to see what category they fall under.
Poor profile fit is often the result of changes in ROFF, TOFF or CCOMEGA
between successive images when using the ADDPART option.
Very intense images can have unusually large gradients, GRADMAX may have to
be changed from the default
A pixel dump of the BADSPOTS can be obtained using REJECTION PLOT
if the reason for their rejection is not clear
AVERAGING OF STANDARD PROFILES
==============================
Profile averaging has been performed for some of the standard profiles.
If possible this should be avoided, eg by accumulating the profiles
over more images (BLOCK parameter on PROCESS keyword).
Do not attempt to process spots that are not really there !
If profiles are being averaged because the RMSBG is too high, but
this is because of diffuse scatter, it is best to increase the maximum
allowed RMSBG (default value 20.0): PROFILE RMSBG 25 (for example).
ERROR IN DETECTOR GAIN
======================
The ratio of the observed variation in background pixels to that
expected statistically (the BGRATIO) lies outside the range 0.9 to 1.1.
Actual values: minimum: 0.49 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: