Index results
Symmetry and refined cell parameters
| Image |
Symmetry |
a |
b |
c |
alpha |
beta |
gamma |
| 1 |
C2221 |
92.997 |
127.084 |
105.556 |
90.000 |
90.000 |
90.000 |
| 2 |
C2221 |
93.075 |
126.914 |
105.524 |
90.000 |
90.000 |
90.000 |
| 1+2 |
C2221 |
92.999 |
126.765 |
105.632 |
90.000 |
90.000 |
90.000 |
Spots found, rejected, RMS spot deviation, beamcentre shift
| Image |
Spots used in refinement |
Spots used in indexing |
Fraction rejected from refinement |
RMS spot deviation |
Beam shift x |
Beam shift y |
| 1 |
369 |
396 |
0.068 |
0.099 |
-0.026 |
-0.082 |
| 2 |
171 |
186 |
0.081 |
0.105 |
-0.007 |
-0.074 |
| 1+2 |
542 |
583 |
0.070 |
0.114 |
-0.005 |
-0.074 |
Image 1: /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/ref-AV01-3342167Aa_1_001.img
Image 2: /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/ref-AV01-3342167Aa_1_002.img
Image 1 with predictions
Image 2 with predictions
The following comments were recorded by the Expert system:
- Starting autoindex...
- Screening recommended I/Sigma 20.000000
- Pre-screened image 1 - status = ok
- Screening recommended I/Sigma 20.000000
- Pre-screened image 2 - status = ok
- Reading stf file: /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/tmp/autoindex_1/mosflm.stf
- Reading stf file: /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/tmp/autoindex_2/mosflm.stf
- Reading stf file: /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/tmp/autoindex_all/mosflm.stf
- Indexing results by indexing task
- Status for all images: ok
- Status for image 1: ok
- Status for image 2: ok
- Obtained DNA configuration
- Begin interpretation
- Refined solution 5 with C2221 symmetry imposed.
- Initial cell (before refinement) is 92.992 126.804 105.627 90.000 90.000 90.000
- Refined cell parameters: 92.999 126.765 105.632 90.000 90.000 90.000
- Using 542 indexed reflections for refinement (out of 583 spots used in indexing)
- Fraction rejected reflections in refinement / used reflections in indexing: 0.070
- RMS spot deviation: 0.114
- Beam coordinates has been shifted by -0.005 -0.074
- Mosaicity: 0.600
- Comparing solutions from 2 and 1
- Incompatible solutions for 2 and 1
- Orientation matrices agree
- Comparing unit cells between overall and image 1
- Comparing unit cells between overall and image 2
- Solutions incompatible between all images and image 2
- Mosaic spreads varied by < 25%
- Making jpeg images in /scisoft/users/svensson/tmp/dataBenchmark/AV01-3342167Aa_1/AV01-3342167Aa_1_dnafiles/index
End of comments
Data Processing Module Log
Integration Results
Strategy Results - will not work until you have run STRATEGY!