The direct output of the program is a log file. Here, we will consider the log file
that belongs to example 
.
The log file starts giving the date and time, and lists all input commands.
STRATEGY start at Jun 25 14:12:54 1996
Start of reading parameter file
XFILE org_xfiles/proteinX8025.x
NFRAME 80
SPACE GROUP P4122
FORMAT DIP2000
NBINS 20
COMPLETENESS 98 96 94 92 90
End of reading parameter file
Start of list of parameters extracted from the file org_xfiles/proteinX8025.x
LAPP-native-cryo, 7+8
oscillation start 24.00 end 24.50
wavelength 1.54180
resolution limits 20.0 2.90
spindle axis 0 1 0 vertical axis 1 0 0
unit cell 73.847 73.847 200.543 90.000 90.000 90.000
crystal rotx -177.648 roty -11.392 rotz 18.449
cassette rotx -0.09 roty -0.03 rotz 0.00
distance 165.00
x beam 99.952 y beam 99.929
film rotation 90.000
End of list of parameters extracted from the denzo x-file.
WARNING: Problems with reconstructing the denzo matrix.
Root mean squared difference between denzo matrix and the reconstructed matrix: 0.028940
Initial crystal setting for phi= 24.00.
Angles between the laboratory axes and astar, bstar and cstar.
X Y Z
astar 71.93 34.69 61.51
bstar 21.58 68.49 88.43
cstar 78.61 64.21 28.55
Space group : P4122
Space group number : 91
Laue group : 4/mmm
Total number of symmetry matrices: 8
Symmetry matrices and the angles between the laboratory axes and the symmetry related astar, bstar and cstar.
X Y Z
0 -1 0 astar 21.58 68.49 88.43
-1 0 0 bstar 71.93 34.69 61.51
0 0 -1 cstar 78.61 64.21 28.55
0 -1 0 astar 21.58 68.49 88.43
1 0 0 bstar 71.93 34.69 61.51
0 0 1 cstar 78.61 64.21 28.55
-1 0 0 astar 71.93 34.69 61.51
0 1 0 bstar 21.58 68.49 88.43
0 0 -1 cstar 78.61 64.21 28.55
-1 0 0 astar 71.93 34.69 61.51
0 -1 0 bstar 21.58 68.49 88.43
0 0 1 cstar 78.61 64.21 28.55
0 1 0 astar 21.58 68.49 88.43
1 0 0 bstar 71.93 34.69 61.51
0 0 -1 cstar 78.61 64.21 28.55
0 1 0 astar 21.58 68.49 88.43
-1 0 0 bstar 71.93 34.69 61.51
0 0 1 cstar 78.61 64.21 28.55
1 0 0 astar 71.93 34.69 61.51
0 -1 0 bstar 21.58 68.49 88.43
0 0 -1 cstar 78.61 64.21 28.55
INST_DIP2000 proteinX8025.ipf proteinX8025.x.str
The program will now read the DENZO x-file and will extract the relevant parameters
and list them.
The DENZO x-file also contains the crystal orientation matrix. STRATEGY
will reconstruct this matrix using the cell and crystal orientation parameters and
compare this with the original matrix. The geometry settings are described elsewere.
It is normal that the program produces a warning for a
small difference between the reconstructed
and the original matrix: this is a known bug.
However, the difference should not become too large.
STRATEGY will reconstruct the reciprocal cell axes for an oscillation angle 0.0,
and list the angles between these reciprocal cell axes and the laboratory axes as shown in
figure . Given the correct space group, the program will determine the
centrosymmetric Laue group, and will list all the angles between the laboratory axes
and the equivalent vectors of 
, 
and 
as well.
Given the resolution limit, the cell parameters and the crystal orientation parameters,
the program will simulate all the reflections that will occur during a 360 degree oscillation.
Each reflection will be tested whether it can be recorded on the detector or not
(taking into account the detector format, the direct beam position, the crystal to detector
distance and the orientation of the detector). All the reflections that can be recorded on the
frame that was integrated by DENZO will be written into a new x-file,
called name.x.str.
Use this file as a check for the STRATEGY simulation by running XDISPLAYF, e.g.
Since the mosaicity is not taken into account, the new x-file will not contain
all the observed spot positions.
Start of the simulation of the reflections.
Done. Number of hkl-s simulated within the resolution limits: 187102
Start of checking if the reflections can be detected.
Done.
Start of writing of a new x-file called org_xfiles/lapp8025.x.str
End of writing. Number of reflections written: 508
Table of redundancy and completeness for a 360 degree sweep.
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 0 0 0 0 15 0 10 0 287 440 100.00
7.73 6.19 0 0 0 0 7 0 4 0 195 479 100.00
6.19 5.43 0 0 0 0 4 0 3 0 168 509 100.00
5.43 4.94 0 0 0 0 4 0 2 0 146 504 100.00
4.94 4.59 0 0 0 0 3 0 3 0 139 509 100.00
4.59 4.32 0 0 0 0 3 0 2 0 131 527 100.00
4.32 4.11 0 0 0 0 2 0 0 0 114 515 100.00
4.11 3.93 0 0 0 0 3 0 2 0 121 540 100.00
3.93 3.78 0 0 0 0 2 0 1 1 111 535 100.00
3.78 3.65 0 0 0 0 1 0 2 1 110 518 100.00
3.65 3.54 0 0 0 0 2 0 0 4 97 539 100.00
3.54 3.44 0 0 0 0 2 0 2 1 107 533 100.00
3.44 3.35 0 0 0 0 1 0 1 4 89 533 100.00
3.35 3.26 0 0 0 0 2 0 0 3 92 547 100.00
3.26 3.19 0 0 0 0 1 0 2 3 95 529 100.00
3.19 3.12 0 0 0 0 2 0 0 3 91 535 100.00
3.12 3.06 0 0 0 0 1 0 2 3 87 540 100.00
3.06 3.00 0 0 0 0 1 0 0 4 83 539 100.00
3.00 2.95 0 0 0 0 1 0 1 4 85 533 100.00
2.95 2.90 0 0 0 0 2 0 1 3 76 544 100.00
All hkl 0 0 0 0 59 0 38 34 2424 10448 100.00
Total number of unique reflections: 13003
Number of unique reflections obervable: 13003
Number of unique reflections missing: 0
Start of selecting the reflections that can be recorded.
Done. Number of predictions: 366168
Start of reorganising the hkl array.
Done. Initialisation of the hklun-array.
Done. Start of sorting the psi-s.
Done.
Table of redundancy and completeness for a data collection of 80 frames,
starting at the spindle angle 24.00 and with an oscillation range of 0.50 degree(s).
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 147 90 161 94 83 129 48 0 0 0 80.45
7.73 6.19 100 86 127 93 95 137 47 0 0 0 85.40
6.19 5.43 85 83 122 105 104 136 49 0 0 0 87.57
5.43 4.94 70 77 133 98 100 142 36 0 0 0 89.33
4.94 4.59 63 78 128 111 102 144 28 0 0 0 90.37
4.59 4.32 60 71 130 121 109 145 27 0 0 0 90.95
4.32 4.11 48 69 115 126 116 138 19 0 0 0 92.39
4.11 3.93 44 67 129 141 127 145 13 0 0 0 93.39
3.93 3.78 37 67 129 147 124 132 14 0 0 0 94.31
3.78 3.65 37 67 117 142 127 137 5 0 0 0 94.15
3.65 3.54 35 55 127 157 129 134 5 0 0 0 94.55
3.54 3.44 34 68 121 151 148 122 1 0 0 0 94.73
3.44 3.35 29 46 114 165 142 130 2 0 0 0 95.38
3.35 3.26 18 67 123 165 153 118 0 0 0 0 97.20
3.26 3.19 34 53 104 168 153 117 1 0 0 0 94.60
3.19 3.12 23 60 118 167 161 102 0 0 0 0 96.35
3.12 3.06 29 45 101 169 181 108 0 0 0 0 95.42
3.06 3.00 13 66 111 165 175 97 0 0 0 0 97.93
3.00 2.95 23 42 108 160 201 90 0 0 0 0 96.31
2.95 2.90 19 49 108 169 191 90 0 0 0 0 96.96
All hkl 948 1306 2426 2814 2721 2493 295 0 0 0 92.71
Dividing the resolution range into NBINs resolution shells,
a table is calculated that gives the redundancy and maximum completeness for a full
360 degree oscillation of the crystal. (This will be especially of interest when
a theta offset of the detector was used.)
The program will summarize the total number of unique observable and non-observable reflections,
and will sort all the observable reflections according to the spindle angle at which they will
appear. For this example the total number of predictions is almost 370,000. The maximum number of
predictions is (currently) 3,000,000. See also section limitations.
If the command NFRAme was given in the input file, the program
will calculate a redundancy and completeness table for a data collection of NFRAme
frames, starting at the oscillation starting angle as specified in the DENZO x-file,
and using the oscillation range that is extracted from the same file.
The remaining part of the log file contains 6 redundancy and completeness tables for data collections
started at a spindle angle for which a data set of 100%, 98%, 96%, 94%, 92% or
90% completeness could be collected in the shortest total oscillation as possible.
Each table is preceded by a list of local minima found.
The minima can also be seen in the PostScript figures, which
show the minimum total oscillation needed starting from each possible starting spindle angle.
The local minima were found by calculating a running average over all the solutions calculated by the
program. By changing the length of average NAVErage,
one can influence the number of local minima found.
If the command ALREady MEASured has been used, the program will have found
the starting oscillation angles for the smallest oscillation ranges needed to collect the remaining
part of the reflections up to the specified completeness. The reflections that were already measured will
be added as one prediction each in the redundancy and completeness tables.
List of possible starting spindle angles for a 100.0
Starting spindle angle Total oscillation range
27.99 122.80
33.81 121.47
89.13 82.23
185.13 80.05
Shortest oscillation range possible:
Starting spindle angle : 6.11
Total oscillation range : 79.07
Ending oscillation angle: 85.18
Table of redundancy and completeness for a data collection with a total sweep of 79.07 degrees,
starting at the spindle angle 6.11 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 0 35 24 84 205 75 329 0 0 0 100.00
7.73 6.19 0 15 21 71 126 105 347 0 0 0 100.00
6.19 5.43 0 5 20 64 114 117 364 0 0 0 100.00
5.43 4.94 0 6 13 53 110 139 335 0 0 0 100.00
4.94 4.59 0 6 15 44 103 150 336 0 0 0 100.00
4.59 4.32 0 5 11 43 100 159 345 0 0 0 100.00
4.32 4.11 0 2 12 36 86 164 331 0 0 0 100.00
4.11 3.93 0 5 13 41 81 184 342 0 0 0 100.00
3.93 3.78 0 3 9 34 84 188 332 0 0 0 100.00
3.78 3.65 0 2 10 41 70 194 315 0 0 0 100.00
3.65 3.54 0 2 12 35 66 199 328 0 0 0 100.00
3.54 3.44 0 3 7 35 80 204 316 0 0 0 100.00
3.44 3.35 0 1 13 31 58 212 313 0 0 0 100.00
3.35 3.26 0 2 2 33 71 226 310 0 0 0 100.00
3.26 3.19 0 2 4 44 62 220 297 1 0 0 100.00
3.19 3.12 0 2 5 31 70 214 308 1 0 0 100.00
3.12 3.06 0 1 3 35 57 233 304 0 0 0 100.00
3.06 3.00 0 1 0 35 71 227 291 2 0 0 100.00
3.00 2.95 0 1 6 27 61 226 301 2 0 0 100.00
2.95 2.90 0 2 5 27 55 239 298 0 0 0 100.00
All hkl 0 101 205 844 1730 3675 6442 6 0 0 100.00
List of possible starting spindle angles for a 98.0
Starting spindle angle Total oscillation range
17.52 53.90
41.09 84.79
49.88 86.67
104.28 57.01
Shortest oscillation range possible:
Starting spindle angle : 17.29
Total oscillation range : 53.69
Ending oscillation angle: 70.97
Table of redundancy and completeness for a data collection with a total sweep of 53.69 degrees,
starting at the spindle angle 17.29 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 79 72 90 141 88 172 110 0 0 0 89.49
7.73 6.19 40 73 67 122 73 182 128 0 0 0 94.16
6.19 5.43 28 66 72 115 86 202 115 0 0 0 95.91
5.43 4.94 21 56 70 120 85 198 106 0 0 0 96.80
4.94 4.59 15 53 71 124 94 199 98 0 0 0 97.71
4.59 4.32 15 44 73 124 106 202 99 0 0 0 97.74
4.32 4.11 8 32 72 133 104 195 87 0 0 0 98.73
4.11 3.93 10 34 71 148 114 202 87 0 0 0 98.50
3.93 3.78 7 24 86 128 135 192 78 0 0 0 98.92
3.78 3.65 6 27 71 128 132 192 76 0 0 0 99.05
3.65 3.54 6 17 77 125 148 195 74 0 0 0 99.07
3.54 3.44 6 24 81 121 151 199 63 0 0 0 99.07
3.44 3.35 2 15 71 119 157 200 64 0 0 0 99.68
3.35 3.26 4 19 78 104 170 212 57 0 0 0 99.38
3.26 3.19 2 23 72 102 162 216 53 0 0 0 99.68
3.19 3.12 2 15 86 95 172 204 57 0 0 0 99.68
3.12 3.06 2 19 66 86 188 224 48 0 0 0 99.68
3.06 3.00 1 12 82 89 187 211 45 0 0 0 99.84
3.00 2.95 4 9 70 86 189 213 53 0 0 0 99.36
2.95 2.90 2 17 80 71 196 211 49 0 0 0 99.68
All hkl 260 651 1506 2281 2737 4021 1547 0 0 0 98.00
List of possible starting spindle angles for a 96.0
Starting spindle angle Total oscillation range
19.70 47.32
30.10 79.13
62.22 68.25
67.67 69.23
103.93 49.36
107.65 49.85
Shortest oscillation range possible:
Starting spindle angle : 20.00
Total oscillation range : 47.14
Ending oscillation angle: 67.14
Table of redundancy and completeness for a data collection with a total sweep of 47.14 degrees,
starting at the spindle angle 20.00 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 109 75 131 117 84 159 77 0 0 0 85.51
7.73 6.19 69 68 113 94 80 190 71 0 0 0 89.93
6.19 5.43 53 76 98 102 95 185 75 0 0 0 92.25
5.43 4.94 40 70 98 96 108 175 69 0 0 0 93.90
4.94 4.59 33 68 96 107 120 167 63 0 0 0 94.95
4.59 4.32 33 60 90 130 117 179 54 0 0 0 95.02
4.32 4.11 21 54 85 139 102 183 47 0 0 0 96.67
4.11 3.93 21 53 96 144 132 175 45 0 0 0 96.85
3.93 3.78 17 53 94 147 127 180 32 0 0 0 97.38
3.78 3.65 17 45 84 144 136 174 32 0 0 0 97.31
3.65 3.54 15 43 79 161 137 181 26 0 0 0 97.66
3.54 3.44 15 43 96 148 149 171 23 0 0 0 97.67
3.44 3.35 9 32 77 157 149 187 17 0 0 0 98.57
3.35 3.26 11 31 98 152 160 176 16 0 0 0 98.29
3.26 3.19 12 34 86 139 161 185 13 0 0 0 98.10
3.19 3.12 9 32 98 142 168 170 12 0 0 0 98.57
3.12 3.06 12 29 70 146 181 185 10 0 0 0 98.10
3.06 3.00 5 30 96 141 178 168 9 0 0 0 99.20
3.00 2.95 9 20 82 134 204 162 13 0 0 0 98.56
2.95 2.90 10 32 78 143 174 181 8 0 0 0 98.40
All hkl 520 948 1845 2683 2762 3533 712 0 0 0 96.00
List of possible starting spindle angles for a 94.0
Starting spindle angle Total oscillation range
22.19 42.53
66.25 58.94
71.21 59.41
107.19 43.22
108.04 43.42
108.93 43.26
109.37 43.72
Shortest oscillation range possible:
Starting spindle angle : 22.16
Total oscillation range : 42.43
Ending oscillation angle: 64.59
Table of redundancy and completeness for a data collection with a total sweep of 42.43 degrees,
starting at the spindle angle 22.16 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 135 77 157 96 85 144 58 0 0 0 82.05
7.73 6.19 87 84 122 90 91 155 56 0 0 0 87.30
6.19 5.43 74 78 113 102 110 149 58 0 0 0 89.18
5.43 4.94 61 70 122 101 104 153 45 0 0 0 90.70
4.94 4.59 50 75 116 108 110 157 38 0 0 0 92.35
4.59 4.32 50 67 115 118 119 158 36 0 0 0 92.46
4.32 4.11 35 69 105 121 118 157 26 0 0 0 94.45
4.11 3.93 35 64 115 139 136 156 21 0 0 0 94.74
3.93 3.78 29 63 115 148 129 147 19 0 0 0 95.54
3.78 3.65 28 59 107 136 135 156 11 0 0 0 95.57
3.65 3.54 26 53 103 160 141 149 10 0 0 0 95.95
3.54 3.44 26 57 118 139 156 145 4 0 0 0 95.97
3.44 3.35 21 39 96 168 149 148 7 0 0 0 96.66
3.35 3.26 15 55 118 148 167 140 1 0 0 0 97.67
3.26 3.19 25 47 88 165 168 134 3 0 0 0 96.03
3.19 3.12 16 55 105 155 169 131 0 0 0 0 97.46
3.12 3.06 23 36 89 165 188 132 0 0 0 0 96.37
3.06 3.00 9 55 103 156 179 125 0 0 0 0 98.56
3.00 2.95 17 36 84 172 193 122 0 0 0 0 97.28
2.95 2.90 18 44 88 163 194 119 0 0 0 0 97.12
All hkl 780 1183 2179 2750 2841 2877 393 0 0 0 94.00
List of possible starting spindle angles for a 92.0
Starting spindle angle Total oscillation range
23.35 38.48
29.90 40.01
68.68 52.63
71.56 52.43
73.17 52.32
111.15 38.82
Shortest oscillation range possible:
Starting spindle angle : 23.35
Total oscillation range : 38.40
Ending oscillation angle: 61.75
Table of redundancy and completeness for a data collection with a total sweep of 38.40 degrees,
starting at the spindle angle 23.35 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 156 97 161 86 92 118 42 0 0 0 79.26
7.73 6.19 107 89 135 86 101 122 45 0 0 0 84.38
6.19 5.43 92 91 124 98 111 128 40 0 0 0 86.55
5.43 4.94 75 83 132 100 103 134 29 0 0 0 88.57
4.94 4.59 66 82 129 123 98 135 21 0 0 0 89.91
4.59 4.32 63 79 128 128 120 128 17 0 0 0 90.50
4.32 4.11 51 75 121 137 107 128 12 0 0 0 91.92
4.11 3.93 48 78 129 150 126 127 8 0 0 0 92.79
3.93 3.78 41 72 138 147 127 120 5 0 0 0 93.69
3.78 3.65 42 76 113 144 137 117 3 0 0 0 93.35
3.65 3.54 38 62 119 168 148 107 0 0 0 0 94.08
3.54 3.44 39 76 116 159 149 105 1 0 0 0 93.95
3.44 3.35 30 52 112 170 162 102 0 0 0 0 95.22
3.35 3.26 24 74 121 168 162 95 0 0 0 0 96.27
3.26 3.19 34 59 104 184 162 87 0 0 0 0 94.60
3.19 3.12 28 70 115 165 172 81 0 0 0 0 95.56
3.12 3.06 34 44 100 196 184 75 0 0 0 0 94.63
3.06 3.00 17 68 109 184 183 66 0 0 0 0 97.29
3.00 2.95 28 46 107 182 195 66 0 0 0 0 95.51
2.95 2.90 27 52 95 205 185 62 0 0 0 0 95.69
All hkl 1040 1425 2408 2980 2824 2103 223 0 0 0 92.00
List of possible starting spindle angles for a 90.0
Starting spindle angle Total oscillation range
24.66 35.12
25.95 35.00
31.37 34.90
111.17 35.52
112.72 35.52
115.12 35.30
Shortest oscillation range possible:
Starting spindle angle : 31.56
Total oscillation range : 34.74
Ending oscillation angle: 66.30
Table of redundancy and completeness for a data collection with a total sweep of 34.74 degrees,
starting at the spindle angle 31.56 .
Shell Summary of predicted redundancies by shells:
Lower Upper No. of reflections with given No. of predictions
limit limit 0 1 2 3 4 5-6 7-8 9-12 13-19 >19 completeness
20.00 7.73 169 106 184 85 67 106 35 0 0 0 77.53
7.73 6.19 125 103 141 101 76 109 30 0 0 0 81.75
6.19 5.43 104 113 138 101 80 119 29 0 0 0 84.80
5.43 4.94 89 104 134 109 79 120 21 0 0 0 86.43
4.94 4.59 85 94 138 131 77 113 16 0 0 0 87.00
4.59 4.32 74 103 144 129 84 122 7 0 0 0 88.84
4.32 4.11 65 103 127 126 91 113 6 0 0 0 89.70
4.11 3.93 65 98 149 136 104 110 4 0 0 0 90.24
3.93 3.78 57 104 144 135 106 103 1 0 0 0 91.23
3.78 3.65 53 91 144 134 107 102 1 0 0 0 91.61
3.65 3.54 55 90 151 125 126 95 0 0 0 0 91.43
3.54 3.44 44 93 154 139 132 83 0 0 0 0 93.18
3.44 3.35 48 90 133 131 147 79 0 0 0 0 92.36
3.35 3.26 32 98 161 133 147 73 0 0 0 0 95.03
3.26 3.19 54 90 130 133 158 65 0 0 0 0 91.43
3.19 3.12 38 77 160 140 152 64 0 0 0 0 93.98
3.12 3.06 36 93 137 146 163 58 0 0 0 0 94.31
3.06 3.00 37 91 140 138 165 56 0 0 0 0 94.10
3.00 2.95 45 66 142 144 179 48 0 0 0 0 92.79
2.95 2.90 25 91 144 155 167 44 0 0 0 0 96.01
All hkl 1300 1898 2895 2571 2407 1782 150 0 0 0 90.00
STRATEGY ended at Jun 25 14:39:14 1996 00:01:14 CPU_time used
The log file ends with the date, time and total CPU time used.