Index results
Symmetry and refined cell parameters
| Image |
Symmetry |
a |
b |
c |
alpha |
beta |
gamma |
| 1 |
P4 |
106.123 |
106.123 |
133.218 |
90.000 |
90.000 |
90.000 |
| 2 |
P4 |
106.111 |
106.111 |
133.105 |
90.000 |
90.000 |
90.000 |
| 1+2 |
C2 |
342.015 |
208.713 |
171.082 |
90.000 |
102.140 |
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 |
29 |
31 |
0.065 |
0.179 |
-0.132 |
-0.121 |
| 2 |
66 |
70 |
0.057 |
0.149 |
0.037 |
-0.068 |
| 1+2 |
90 |
101 |
0.109 |
0.057 |
-0.062 |
-0.101 |
Image 1: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/ref-srpol-HA00AG3240_1_001.img
Image 2: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/ref-srpol-HA00AG3240_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 10.000000
- Pre-screened image 1 - status = ok
- Screening recommended I/Sigma 10.000000
- Rings found but not in ice regions
- I suggest you inspect these images
- Pre-screened image 2 - status = rings
- Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/autoindex_1/mosflm.stf
- Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/tmp/autoindex_2/mosflm.stf
- Reading stf file: /scisoft/users/svensson/tmp/srpol-HA00AG3240_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
- All individual image solutions agree but the combined does not
- Check the rotations are correct
- Obtained DNA configuration
- Begin interpretation
- Refined solution 2 with C2 symmetry imposed.
- Initial cell (before refinement) is 341.850 208.795 171.063 90.000 102.175 90.000
- Refined cell parameters: 342.015 208.713 171.082 90.000 102.140 90.000
- Using 90 indexed reflections for refinement (out of 101 spots used in indexing)
- Fraction rejected reflections in refinement / used reflections in indexing: 0.109
- RMS spot deviation: 0.057
- Beam coordinates has been shifted by -0.062 -0.101
- Mosaicity: 0.770
- Comparing solutions from 2 and 1
- Orientation matrices agree
- Comparing unit cells between overall and image 1
- Solutions incompatible between all images and image 1
- Comparing unit cells between overall and image 2
- Solutions incompatible between all images and image 2
- Solution comparson passed, nicely
- Mosaic spreads varied by > 25%
- Making jpeg images in /scisoft/users/svensson/tmp/srpol-HA00AG3240_1/srpol-HA00AG3240_1_dnafiles/index
End of comments
Data Processing Module Log
Integration Results
Strategy Results - will not work until you have run STRATEGY!