Please click here to go to the tutorial for DIALS 2.2.
Processing in Detail¶
Introduction¶
DIALS processing may be performed by either running the individual tools (spot
finding, indexing, refinement, integration, symmetry, scaling, exporting to MTZ)
or you can run xia2 pipeline=dials, which makes informed choices for you
at each stage. In this tutorial we will run through each of the steps in turn,
checking the output as we go. We will also enforce the correct lattice symmetry.
Tutorial data¶
The following example uses a Beta-Lactamase dataset collected using beamline I04 at Diamond Light Source, and reprocessed especially for these tutorials.
Hint
If you are physically at Diamond on the CCP4 Workshop, then
this data is already available in your training data area. After
typing module load ccp4-workshop you’ll be moved to a working
folder, with the data already located in the tutorial-data/summed
subdirectory.
The data is otherwise available for download from 
.
We’ll only be using the first run of data in this tutorial,
C2sum_1.tar, extracted to a tutorial-data/summed subdirectory.
Import¶
The first stage of step-by-step DIALS processing is to import the data - all that happens here is that metadata are read for all the images, and a file describing their contents (imported.expt) is written:
dials.import tutorial-data/summed/C2sum_1*.cbf.gz
The output just describes what the software understands of the images it was passed, in this case one sequence of data containing 720 images:
DIALS 3.dev.1243-gd06ef435d
The following parameters have been modified:
input {
experiments = <image files>
}
--------------------------------------------------------------------------------
format: <class 'dxtbx.format.FormatCBFMiniPilatusDLS6MSN100.FormatCBFMiniPilatusDLS6MSN100'>
template: /dls/mx-scratch/dials/tutorial_data/betalactamase_summed/C2sum_1_####.cbf.gz:1:720
num images: 720
sequences:
still: 0
sweep: 1
num stills: 0
--------------------------------------------------------------------------------
Writing experiments to imported.expt
Now is a good point to take a first look at the data using the dials.image_viewer, both to check that the data is sensible and to anticipate any problems in processing:
dials.image_viewer imported.expt
You will be presented with the main image viewer screen:
Play with the brightness slider (①) a little until you can clearly see the spots on the first image (something in the range 10-20 should make the spots obvious). You can also change the colour scheme (sometimes spots can be easier to identify in ‘inverted’ mode) , toggle various information markers like beam center, and try different configurations for the spot finding (②).
Find Spots¶
The first “real” task in any processing using DIALS is the spot finding. Since this is looking for spots on every image in the dataset, this process can take some time, so DIALS will use multiple processors by default to speed this up. Here we have limited it to 4, but feel free to omit this to let DIALS make the choice:
dials.find_spots imported.expt nproc=4
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3
4spotfinder {
5 mp {
6 nproc = 4
7 }
8}
9input {
10 experiments = imported.expt
11}
12
13Setting spotfinder.filter.min_spot_size=3
14Configuring spot finder from input parameters
15--------------------------------------------------------------------------------
16Finding strong spots in imageset 0
17--------------------------------------------------------------------------------
18
19Finding spots in image 1 to 720...
20Setting chunksize=20
21Extracting strong pixels from images
22 Using multiprocessing with 4 parallel job(s)
23
24Found 1752 strong pixels on image 1
25Found 1536 strong pixels on image 2
26Found 1439 strong pixels on image 3
27Found 1433 strong pixels on image 4
28Found 1695 strong pixels on image 5
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672Found 1774 strong pixels on image 649
673Found 1699 strong pixels on image 650
674Found 1851 strong pixels on image 651
675Found 1710 strong pixels on image 652
676Found 1742 strong pixels on image 653
677Found 1852 strong pixels on image 654
678Found 1528 strong pixels on image 655
679Found 1671 strong pixels on image 656
680Found 1693 strong pixels on image 657
681Found 1716 strong pixels on image 658
682Found 1760 strong pixels on image 659
683Found 1728 strong pixels on image 660
684Found 1997 strong pixels on image 661
685Found 1597 strong pixels on image 662
686Found 1615 strong pixels on image 663
687Found 1588 strong pixels on image 664
688Found 1609 strong pixels on image 665
689Found 1630 strong pixels on image 666
690Found 1729 strong pixels on image 667
691Found 1730 strong pixels on image 668
692Found 1577 strong pixels on image 669
693Found 1584 strong pixels on image 670
694Found 1621 strong pixels on image 671
695Found 1683 strong pixels on image 672
696Found 1735 strong pixels on image 673
697Found 1605 strong pixels on image 674
698Found 1650 strong pixels on image 675
699Found 1534 strong pixels on image 676
700Found 1572 strong pixels on image 677
701Found 1677 strong pixels on image 678
702Found 1769 strong pixels on image 679
703Found 1594 strong pixels on image 680
704Found 1608 strong pixels on image 681
705Found 1405 strong pixels on image 682
706Found 1559 strong pixels on image 683
707Found 1707 strong pixels on image 684
708Found 1709 strong pixels on image 685
709Found 1645 strong pixels on image 686
710Found 1530 strong pixels on image 687
711Found 1636 strong pixels on image 688
712Found 1550 strong pixels on image 689
713Found 1738 strong pixels on image 690
714Found 1546 strong pixels on image 691
715Found 1504 strong pixels on image 692
716Found 1586 strong pixels on image 693
717Found 1740 strong pixels on image 694
718Found 1423 strong pixels on image 695
719Found 1573 strong pixels on image 696
720Found 1506 strong pixels on image 697
721Found 1434 strong pixels on image 698
722Found 1568 strong pixels on image 699
723Found 1498 strong pixels on image 700
724Found 1629 strong pixels on image 701
725Found 1569 strong pixels on image 702
726Found 1563 strong pixels on image 703
727Found 1447 strong pixels on image 704
728Found 1445 strong pixels on image 705
729Found 1311 strong pixels on image 706
730Found 1513 strong pixels on image 707
731Found 1653 strong pixels on image 708
732Found 1509 strong pixels on image 709
733Found 1476 strong pixels on image 710
734Found 1579 strong pixels on image 711
735Found 1523 strong pixels on image 712
736Found 1563 strong pixels on image 713
737Found 1562 strong pixels on image 714
738Found 1560 strong pixels on image 715
739Found 1512 strong pixels on image 716
740Found 1677 strong pixels on image 717
741Found 1482 strong pixels on image 718
742Found 1204 strong pixels on image 719
743Found 1523 strong pixels on image 720
744
745Extracted 124946 spots
746Removed 16738 spots with size < 3 pixels
747Removed 1 spots with size > 1000 pixels
748Calculated 108207 spot centroids
749Calculated 108207 spot intensities
750Filtered 107999 of 108207 spots by peak-centroid distance
751
752Histogram of per-image spot count for imageset 0:
753107999 spots found on 720 images (max 2137 / bin)
754*
755*********** ************ ***
756*********************************************** ************
757************************************************************
758************************************************************
759************************************************************
760************************************************************
761************************************************************
762************************************************************
763************************************************************
7641 image 720
765
766--------------------------------------------------------------------------------
767Saved 107999 reflections to strong.refl
Once this has completed, a new reflection file
‘strong.refl’ is written, containing a record of every spot found.
The dials.image_viewer tool is not as fast as viewers such as ADXV, however it does integrate well with DIALS data files. Having found strong spots open the image viewer again, but giving it the newly found reflection list:
dials.image_viewer imported.expt strong.refl
Adjust the brightness so that you can see the spots, then zoom in so that you can see the clustered individual pixels of a single spot. Pixels determined to be part of a spot’s peak are marked with green dots. The blue outline shows the three-dimensional shoebox - the extents over detector x, y and image number z of a all peak pixels in a single spot. The single highest value pixel for any spot is marked with a pink circle, and the centre of mass is marked with a red cross.
The spot centre-of-mass is usually close to the peak pixel, but slightly offset as the algorithm allows calculation of the spot centre at a better precision than the pixel size and image angular ‘width’.
The default parameters for spot finding usually do a good job for Pilatus images, such as these. However they may not be optimal for data from other detector types, such as CCDs or image plates. Issues with incorrectly set gain might, for example, lead to background noise being extracted as spots. You can use the image mode buttons (③) to preview how the parameters affect the spot finding algorithm. The final image, ‘threshold’ is the one on which spots were found, so ensuring this produces peaks at real diffraction spot positions will give the best chance of success.
Another very powerful tool for investigating problems with strong spot positions is dials.reciprocal_lattice_viewer. This displays the strong spots in 3D, after mapping them from their detector positions to reciprocal space. In a favourable case you should be able to see the crystal’s reciprocal lattice by eye in the strong spot positions. Some practice may be needed in rotating the lattice to an orientation that shows off the periodicity in reciprocal lattice positions:
dials.reciprocal_lattice_viewer imported.expt strong.refl
Although the reciprocal spacing is visible, in this data, there are clearly some systematic distortions. These will be solved in the indexing.
Indexing¶
The next step will be indexing of the strong spots by
dials.index, which by default uses a
3D FFT algorithm (although the 1D FFT algorithm can be selected, using the
parameter indexing.method=fft1d). We pass in all the strong
spots found in the dataset:
dials.index imported.expt strong.refl
If known, the space group and unit cell can be provided at this stage
using the space_group and unit_cell parameters, and will
be used to constrain the lattice during refinement, but otherwise
indexing and refinement will be carried out in the primitive lattice
using space group P1.
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3
4input {
5 experiments = imported.expt
6 reflections = strong.refl
7}
8
9Found max_cell: 94.4 Angstrom
10Setting d_min: 1.84
11FFT gridding: (256,256,256)
12Number of centroids used: 91203
13Candidate solutions:
14+----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------+
15| unit_cell | volume | volume score | #indexed | % indexed | % indexed score | rmsd_xy | rmsd_xy score | overall score |
16|----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------|
17| 40.72 40.73 69.66 92.0 91.9 98.3 | 114154 | 0.01 | 94166 | 99 | 0 | 0.07 | 0 | 0.01 |
18| 40.72 40.72 69.70 91.9 91.9 98.2 | 114243 | 0.01 | 94215 | 99 | 0 | 0.07 | 0 | 0.01 |
19| 40.60 40.73 69.67 91.9 91.9 98.4 | 113803 | 0 | 93959 | 98 | 0.01 | 0.07 | 0.01 | 0.02 |
20| 40.73 40.76 69.62 92.0 91.9 98.3 | 114214 | 0.01 | 93867 | 98 | 0.01 | 0.07 | 0.01 | 0.02 |
21| 40.72 40.72 69.67 92.0 92.0 98.3 | 114144 | 0.01 | 94275 | 99 | 0 | 0.07 | 0.01 | 0.02 |
22| 40.72 40.72 69.63 91.9 92.0 98.2 | 114123 | 0.01 | 93742 | 98 | 0.01 | 0.07 | 0.01 | 0.02 |
23| 40.60 40.71 69.66 91.9 91.9 98.3 | 113784 | 0 | 93870 | 98 | 0.01 | 0.07 | 0.01 | 0.02 |
24| 40.70 40.72 69.66 91.9 92.0 98.2 | 114124 | 0.01 | 94101 | 99 | 0 | 0.07 | 0.01 | 0.02 |
25| 40.71 40.73 69.66 91.9 91.9 98.3 | 114140 | 0.01 | 94077 | 99 | 0 | 0.07 | 0.01 | 0.02 |
26| 40.72 40.82 69.69 91.8 91.9 98.2 | 114518 | 0.01 | 94017 | 99 | 0.01 | 0.07 | 0.01 | 0.03 |
27| 40.72 40.77 69.63 92.0 91.9 98.1 | 114292 | 0.01 | 93749 | 98 | 0.01 | 0.07 | 0.01 | 0.03 |
28| 40.69 40.72 69.60 92.0 92.1 98.3 | 113958 | 0 | 93595 | 98 | 0.01 | 0.07 | 0.01 | 0.03 |
29| 40.72 40.72 69.66 91.9 91.9 98.0 | 114230 | 0.01 | 94017 | 99 | 0.01 | 0.07 | 0.02 | 0.03 |
30| 40.72 40.82 69.64 91.9 91.9 98.2 | 114431 | 0.01 | 93838 | 98 | 0.01 | 0.07 | 0.01 | 0.03 |
31| 40.69 40.72 69.66 91.9 92.1 98.3 | 114065 | 0.01 | 94173 | 99 | 0 | 0.07 | 0.02 | 0.03 |
32| 40.72 40.83 69.66 91.9 91.9 98.2 | 114507 | 0.01 | 93960 | 98 | 0.01 | 0.07 | 0.02 | 0.03 |
33| 40.71 40.72 69.66 91.9 91.9 98.3 | 114109 | 0.01 | 94103 | 99 | 0 | 0.07 | 0.02 | 0.03 |
34| 40.72 40.78 69.63 91.9 91.9 98.3 | 114277 | 0.01 | 93862 | 98 | 0.01 | 0.07 | 0.02 | 0.03 |
35| 40.72 40.73 69.64 92.0 92.0 98.3 | 114113 | 0.01 | 94089 | 99 | 0 | 0.07 | 0.02 | 0.04 |
36| 40.72 40.73 69.63 92.0 91.9 98.3 | 114110 | 0.01 | 93890 | 98 | 0.01 | 0.07 | 0.02 | 0.04 |
37| 40.70 40.72 69.59 92.0 91.8 98.2 | 114017 | 0.01 | 93302 | 98 | 0.02 | 0.07 | 0.01 | 0.04 |
38| 40.60 40.72 69.67 91.9 91.8 98.2 | 113865 | 0 | 93126 | 98 | 0.02 | 0.07 | 0.02 | 0.04 |
39| 40.72 40.72 69.66 91.9 91.9 98.2 | 114178 | 0.01 | 94031 | 99 | 0.01 | 0.07 | 0.03 | 0.04 |
40| 40.72 40.74 69.66 91.9 91.9 98.1 | 114275 | 0.01 | 94063 | 99 | 0 | 0.07 | 0.03 | 0.04 |
41| 40.72 40.73 69.66 92.0 91.9 98.3 | 114151 | 0.01 | 94188 | 99 | 0 | 0.07 | 0.03 | 0.04 |
42| 40.60 40.70 69.58 92.1 91.9 98.4 | 113599 | 0 | 93047 | 98 | 0.02 | 0.07 | 0.02 | 0.04 |
43| 40.72 40.72 69.67 91.9 91.8 98.2 | 114191 | 0.01 | 93419 | 98 | 0.01 | 0.07 | 0.02 | 0.04 |
44| 40.62 40.71 69.66 91.9 91.6 98.3 | 113880 | 0 | 93138 | 98 | 0.02 | 0.07 | 0.02 | 0.04 |
45| 40.72 40.83 69.66 91.6 91.9 98.1 | 114543 | 0.01 | 92656 | 97 | 0.03 | 0.07 | 0.01 | 0.04 |
46| 40.70 40.72 69.66 91.9 91.9 98.2 | 114150 | 0.01 | 93970 | 98 | 0.01 | 0.07 | 0.03 | 0.04 |
47| 40.73 40.74 69.66 91.9 92.1 98.1 | 114266 | 0.01 | 94194 | 99 | 0 | 0.07 | 0.03 | 0.05 |
48| 40.72 40.73 69.69 92.0 91.9 98.3 | 114199 | 0.01 | 94373 | 99 | 0 | 0.07 | 0.04 | 0.05 |
49| 40.72 40.72 69.65 92.0 91.9 98.3 | 114110 | 0.01 | 94065 | 99 | 0 | 0.07 | 0.04 | 0.05 |
50| 40.72 40.82 69.66 91.8 91.9 98.2 | 114470 | 0.01 | 93872 | 98 | 0.01 | 0.07 | 0.03 | 0.05 |
51| 40.53 40.72 69.66 91.9 92.0 98.2 | 113637 | 0 | 93709 | 98 | 0.01 | 0.07 | 0.04 | 0.05 |
52| 40.67 40.71 69.66 91.9 91.9 98.2 | 114013 | 0.01 | 94057 | 99 | 0 | 0.07 | 0.04 | 0.05 |
53| 40.53 40.72 69.66 91.8 92.1 98.2 | 113621 | 0 | 92029 | 96 | 0.04 | 0.07 | 0.02 | 0.06 |
54| 40.72 40.83 69.67 91.5 91.9 98.1 | 114555 | 0.01 | 91895 | 96 | 0.04 | 0.07 | 0.01 | 0.06 |
55| 40.72 40.93 69.67 91.8 91.9 98.1 | 114816 | 0.02 | 92639 | 97 | 0.03 | 0.07 | 0.02 | 0.06 |
56| 40.72 40.72 69.67 91.8 91.9 98.0 | 114242 | 0.01 | 93340 | 98 | 0.02 | 0.07 | 0.03 | 0.06 |
57| 40.60 40.77 69.60 92.0 91.7 98.1 | 113913 | 0 | 92296 | 97 | 0.03 | 0.07 | 0.02 | 0.06 |
58| 40.64 40.72 69.67 91.9 91.9 98.1 | 113990 | 0 | 93360 | 98 | 0.02 | 0.07 | 0.04 | 0.06 |
59| 40.71 40.74 69.66 91.9 91.9 98.2 | 114207 | 0.01 | 94097 | 99 | 0 | 0.08 | 0.05 | 0.06 |
60| 40.72 40.82 69.67 91.7 91.9 98.2 | 114482 | 0.01 | 93092 | 98 | 0.02 | 0.07 | 0.03 | 0.07 |
61| 40.69 40.72 69.63 91.9 92.0 98.3 | 114024 | 0.01 | 93886 | 98 | 0.01 | 0.08 | 0.05 | 0.07 |
62| 40.72 40.82 69.58 91.9 91.9 98.2 | 114325 | 0.01 | 93248 | 98 | 0.02 | 0.07 | 0.04 | 0.07 |
63| 40.72 40.73 69.61 92.0 91.9 98.3 | 114060 | 0.01 | 93703 | 98 | 0.01 | 0.08 | 0.06 | 0.08 |
64| 40.69 40.72 69.57 91.9 92.1 98.3 | 113906 | 0 | 92940 | 97 | 0.02 | 0.08 | 0.06 | 0.09 |
65| 40.72 40.83 69.50 91.7 92.0 98.1 | 114265 | 0.01 | 91089 | 95 | 0.05 | 0.07 | 0.04 | 0.1 |
66| 40.72 40.72 69.63 91.9 91.9 98.2 | 114137 | 0.01 | 93712 | 98 | 0.01 | 0.08 | 0.14 | 0.16 |
67+----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------+
68Using d_min_step 0.1
69
70Indexed crystal models:
71model 1 (94166 reflections):
72Crystal:
73 Unit cell: 40.717, 40.730, 69.663, 91.978, 91.906, 98.339
74 Space group: P 1
75 U matrix: {{ 0.8417, 0.5364, 0.0626},
76 {-0.1836, 0.1751, 0.9673},
77 { 0.5079, -0.8256, 0.2459}}
78 B matrix: {{ 0.0246, 0.0000, 0.0000},
79 { 0.0036, 0.0248, 0.0000},
80 { 0.0010, 0.0010, 0.0144}}
81 A = UB: {{ 0.0227, 0.0134, 0.0009},
82 {-0.0029, 0.0053, 0.0139},
83 { 0.0097, -0.0202, 0.0035}}
84+------------+-------------+---------------+-------------+
85| Imageset | # indexed | # unindexed | % indexed |
86|------------+-------------+---------------+-------------|
87| 0 | 94166 | 1262 | 98.7 |
88+------------+-------------+---------------+-------------+
89
90################################################################################
91Starting refinement (macro-cycle 1)
92################################################################################
93
94
95Summary statistics for 93816 observations matched to predictions:
96+-------------------+--------+----------+---------+----------+-------+
97| | Min | Q1 | Med | Q3 | Max |
98|-------------------+--------+----------+---------+----------+-------|
99| Xc - Xo (mm) | -1.681 | -0.4675 | -0.2047 | 0.3707 | 1.383 |
100| Yc - Yo (mm) | -1.731 | -0.6009 | -0.2953 | -0.00193 | 2.226 |
101| Phic - Phio (deg) | -1.707 | -0.08649 | 0.01357 | 0.1076 | 2.149 |
102| X weights | 226.7 | 388 | 398.7 | 403.7 | 405.6 |
103| Y weights | 211.5 | 373.8 | 393.2 | 402.4 | 405.6 |
104| Phi weights | 39.33 | 47.93 | 48 | 48 | 48 |
105+-------------------+--------+----------+---------+----------+-------+
106
107Detecting centroid outliers using the Tukey algorithm
1083106 reflections have been flagged as outliers
10990710 reflections remain in the manager
110
111Summary statistics for 90710 observations matched to predictions:
112+-------------------+--------+----------+---------+----------+--------+
113| | Min | Q1 | Med | Q3 | Max |
114|-------------------+--------+----------+---------+----------+--------|
115| Xc - Xo (mm) | -1.681 | -0.4729 | -0.2157 | 0.3737 | 1.383 |
116| Yc - Yo (mm) | -1.583 | -0.6121 | -0.3087 | -0.03742 | 1.006 |
117| Phic - Phio (deg) | -0.423 | -0.08685 | 0.01122 | 0.1031 | 0.4516 |
118| X weights | 226.7 | 388.5 | 398.9 | 403.7 | 405.6 |
119| Y weights | 211.5 | 374.3 | 393.6 | 402.6 | 405.6 |
120| Phi weights | 39.33 | 47.94 | 48 | 48 | 48 |
121+-------------------+--------+----------+---------+----------+--------+
122
123There are 16 parameters to refine against 36000 reflections in 3 dimensions
124
125Refinement steps:
126+--------+--------+----------+----------+------------+
127| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
128| | | (mm) | (mm) | (deg) |
129|--------+--------+----------+----------+------------|
130| 0 | 36000 | 0.56197 | 0.55131 | 0.13413 |
131| 1 | 36000 | 0.24338 | 0.26503 | 0.15575 |
132| 2 | 36000 | 0.10648 | 0.13198 | 0.13476 |
133| 3 | 36000 | 0.055785 | 0.059567 | 0.10888 |
134| 4 | 36000 | 0.051066 | 0.052336 | 0.10514 |
135| 5 | 36000 | 0.050906 | 0.052372 | 0.10505 |
136| 6 | 36000 | 0.050901 | 0.052378 | 0.10505 |
137+--------+--------+----------+----------+------------+
138RMSD no longer decreasing
139
140RMSDs by experiment:
141+-------+--------+----------+----------+------------+
142| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
143| id | | (px) | (px) | (images) |
144|-------+--------+----------+----------+------------|
145| 0 | 36000 | 0.29594 | 0.30452 | 0.2101 |
146+-------+--------+----------+----------+------------+
147
148Refined crystal models:
149model 1 (94166 reflections):
150Crystal:
151 Unit cell: 40.5519(7), 40.5591(7), 69.2964(13), 92.0155(4), 91.9752(4), 98.0783(4)
152 Space group: P 1
153 U matrix: {{ 0.8429, 0.5343, 0.0638},
154 {-0.1841, 0.1750, 0.9672},
155 { 0.5056, -0.8270, 0.2459}}
156 B matrix: {{ 0.0247, 0.0000, 0.0000},
157 { 0.0035, 0.0249, 0.0000},
158 { 0.0010, 0.0010, 0.0145}}
159 A = UB: {{ 0.0227, 0.0134, 0.0009},
160 {-0.0030, 0.0053, 0.0140},
161 { 0.0098, -0.0203, 0.0036}}
162+------------+-------------+---------------+-------------+
163| Imageset | # indexed | # unindexed | % indexed |
164|------------+-------------+---------------+-------------|
165| 0 | 94166 | 1262 | 98.7 |
166+------------+-------------+---------------+-------------+
167Increasing resolution to 1.71 Angstrom
168
169Indexed crystal models:
170model 1 (101813 reflections):
171Crystal:
172 Unit cell: 40.5519(7), 40.5591(7), 69.2964(13), 92.0155(4), 91.9752(4), 98.0783(4)
173 Space group: P 1
174 U matrix: {{ 0.8429, 0.5343, 0.0638},
175 {-0.1841, 0.1750, 0.9672},
176 { 0.5056, -0.8270, 0.2459}}
177 B matrix: {{ 0.0247, 0.0000, 0.0000},
178 { 0.0035, 0.0249, 0.0000},
179 { 0.0010, 0.0010, 0.0145}}
180 A = UB: {{ 0.0227, 0.0134, 0.0009},
181 {-0.0030, 0.0053, 0.0140},
182 { 0.0098, -0.0203, 0.0036}}
183+------------+-------------+---------------+-------------+
184| Imageset | # indexed | # unindexed | % indexed |
185|------------+-------------+---------------+-------------|
186| 0 | 102009 | 413 | 99.6 |
187+------------+-------------+---------------+-------------+
188
189################################################################################
190Starting refinement (macro-cycle 2)
191################################################################################
192
193
194Summary statistics for 101460 observations matched to predictions:
195+-------------------+---------+----------+------------+---------+--------+
196| | Min | Q1 | Med | Q3 | Max |
197|-------------------+---------+----------+------------+---------+--------|
198| Xc - Xo (mm) | -0.3659 | -0.03707 | -0.002529 | 0.03158 | 0.3623 |
199| Yc - Yo (mm) | -0.8234 | -0.03127 | -0.0002209 | 0.03123 | 0.9301 |
200| Phic - Phio (deg) | -0.8541 | -0.0814 | 0.0005383 | 0.08299 | 1.311 |
201| X weights | 226.7 | 384.8 | 397.6 | 403.4 | 405.6 |
202| Y weights | 173.8 | 369.2 | 391 | 401.9 | 405.6 |
203| Phi weights | 39.33 | 47.94 | 48 | 48 | 48 |
204+-------------------+---------+----------+------------+---------+--------+
205
206Detecting centroid outliers using the Tukey algorithm
2074886 reflections have been flagged as outliers
20896574 reflections remain in the manager
209
210Summary statistics for 96574 observations matched to predictions:
211+-------------------+---------+----------+-----------+---------+--------+
212| | Min | Q1 | Med | Q3 | Max |
213|-------------------+---------+----------+-----------+---------+--------|
214| Xc - Xo (mm) | -0.1672 | -0.03646 | -0.002887 | 0.03019 | 0.159 |
215| Yc - Yo (mm) | -0.1632 | -0.03001 | -0.000363 | 0.02939 | 0.1893 |
216| Phic - Phio (deg) | -0.3509 | -0.08067 | 0.0001275 | 0.08135 | 0.3266 |
217| X weights | 226.7 | 386.4 | 398.2 | 403.6 | 405.6 |
218| Y weights | 211.5 | 371.9 | 392.3 | 402.2 | 405.6 |
219| Phi weights | 40.76 | 47.94 | 48 | 48 | 48 |
220+-------------------+---------+----------+-----------+---------+--------+
221
222There are 16 parameters to refine against 36000 reflections in 3 dimensions
223
224Refinement steps:
225+--------+--------+----------+----------+------------+
226| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
227| | | (mm) | (mm) | (deg) |
228|--------+--------+----------+----------+------------|
229| 0 | 36000 | 0.048834 | 0.046981 | 0.10531 |
230| 1 | 36000 | 0.048722 | 0.046957 | 0.10525 |
231| 2 | 36000 | 0.048696 | 0.04698 | 0.10522 |
232| 3 | 36000 | 0.048684 | 0.046993 | 0.1052 |
233| 4 | 36000 | 0.048681 | 0.046997 | 0.1052 |
234+--------+--------+----------+----------+------------+
235RMSD no longer decreasing
236
237RMSDs by experiment:
238+-------+--------+----------+----------+------------+
239| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
240| id | | (px) | (px) | (images) |
241|-------+--------+----------+----------+------------|
242| 0 | 36000 | 0.28303 | 0.27324 | 0.2104 |
243+-------+--------+----------+----------+------------+
244
245Refined crystal models:
246model 1 (101813 reflections):
247Crystal:
248 Unit cell: 40.5520(6), 40.5588(6), 69.2953(10), 92.0189(4), 91.9731(4), 98.0772(4)
249 Space group: P 1
250 U matrix: {{ 0.8429, 0.5343, 0.0638},
251 {-0.1841, 0.1749, 0.9672},
252 { 0.5056, -0.8270, 0.2458}}
253 B matrix: {{ 0.0247, 0.0000, 0.0000},
254 { 0.0035, 0.0249, 0.0000},
255 { 0.0010, 0.0010, 0.0145}}
256 A = UB: {{ 0.0227, 0.0134, 0.0009},
257 {-0.0030, 0.0053, 0.0140},
258 { 0.0098, -0.0203, 0.0036}}
259+------------+-------------+---------------+-------------+
260| Imageset | # indexed | # unindexed | % indexed |
261|------------+-------------+---------------+-------------|
262| 0 | 101813 | 609 | 99.4 |
263+------------+-------------+---------------+-------------+
264Increasing resolution to 1.57 Angstrom
265
266Indexed crystal models:
267model 1 (105712 reflections):
268Crystal:
269 Unit cell: 40.5520(6), 40.5588(6), 69.2953(10), 92.0189(4), 91.9731(4), 98.0772(4)
270 Space group: P 1
271 U matrix: {{ 0.8429, 0.5343, 0.0638},
272 {-0.1841, 0.1749, 0.9672},
273 { 0.5056, -0.8270, 0.2458}}
274 B matrix: {{ 0.0247, 0.0000, 0.0000},
275 { 0.0035, 0.0249, 0.0000},
276 { 0.0010, 0.0010, 0.0145}}
277 A = UB: {{ 0.0227, 0.0134, 0.0009},
278 {-0.0030, 0.0053, 0.0140},
279 { 0.0098, -0.0203, 0.0036}}
280+------------+-------------+---------------+-------------+
281| Imageset | # indexed | # unindexed | % indexed |
282|------------+-------------+---------------+-------------|
283| 0 | 105724 | 686 | 99.4 |
284+------------+-------------+---------------+-------------+
285
286################################################################################
287Starting refinement (macro-cycle 3)
288################################################################################
289
290
291Summary statistics for 105342 observations matched to predictions:
292+-------------------+---------+----------+------------+---------+--------+
293| | Min | Q1 | Med | Q3 | Max |
294|-------------------+---------+----------+------------+---------+--------|
295| Xc - Xo (mm) | -0.3602 | -0.03583 | -0.0009226 | 0.03338 | 0.3599 |
296| Yc - Yo (mm) | -1.133 | -0.03272 | -0.0005848 | 0.03157 | 1.468 |
297| Phic - Phio (deg) | -0.988 | -0.08148 | 0.001034 | 0.08422 | 1.291 |
298| X weights | 210.9 | 382.8 | 397.1 | 403.3 | 405.6 |
299| Y weights | 173.8 | 366.4 | 389.9 | 401.7 | 405.6 |
300| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
301+-------------------+---------+----------+------------+---------+--------+
302
303Detecting centroid outliers using the Tukey algorithm
3045469 reflections have been flagged as outliers
30599873 reflections remain in the manager
306
307Summary statistics for 99873 observations matched to predictions:
308+-------------------+---------+----------+------------+---------+--------+
309| | Min | Q1 | Med | Q3 | Max |
310|-------------------+---------+----------+------------+---------+--------|
311| Xc - Xo (mm) | -0.1752 | -0.03485 | -0.00104 | 0.03209 | 0.1659 |
312| Yc - Yo (mm) | -0.1713 | -0.03096 | -0.0005444 | 0.02996 | 0.198 |
313| Phic - Phio (deg) | -0.3535 | -0.08055 | 0.0006649 | 0.08254 | 0.3272 |
314| X weights | 210.9 | 384.7 | 397.7 | 403.4 | 405.6 |
315| Y weights | 211.5 | 369.5 | 391.3 | 402 | 405.6 |
316| Phi weights | 39.29 | 47.94 | 48 | 48 | 48 |
317+-------------------+---------+----------+------------+---------+--------+
318
319There are 16 parameters to refine against 36000 reflections in 3 dimensions
320
321Refinement steps:
322+--------+--------+----------+----------+------------+
323| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
324| | | (mm) | (mm) | (deg) |
325|--------+--------+----------+----------+------------|
326| 0 | 36000 | 0.049172 | 0.04859 | 0.10641 |
327| 1 | 36000 | 0.049153 | 0.04854 | 0.10638 |
328| 2 | 36000 | 0.049152 | 0.048515 | 0.10639 |
329| 3 | 36000 | 0.049155 | 0.048503 | 0.1064 |
330| 4 | 36000 | 0.049156 | 0.0485 | 0.1064 |
331+--------+--------+----------+----------+------------+
332RMSD no longer decreasing
333
334RMSDs by experiment:
335+-------+--------+----------+----------+------------+
336| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
337| id | | (px) | (px) | (images) |
338|-------+--------+----------+----------+------------|
339| 0 | 36000 | 0.28579 | 0.28197 | 0.21281 |
340+-------+--------+----------+----------+------------+
341
342Refined crystal models:
343model 1 (105712 reflections):
344Crystal:
345 Unit cell: 40.5519(5), 40.5583(5), 69.2938(9), 92.0190(3), 91.9725(3), 98.0761(4)
346 Space group: P 1
347 U matrix: {{ 0.8429, 0.5343, 0.0638},
348 {-0.1841, 0.1749, 0.9672},
349 { 0.5056, -0.8270, 0.2458}}
350 B matrix: {{ 0.0247, 0.0000, 0.0000},
351 { 0.0035, 0.0249, 0.0000},
352 { 0.0010, 0.0010, 0.0145}}
353 A = UB: {{ 0.0227, 0.0134, 0.0009},
354 {-0.0030, 0.0053, 0.0140},
355 { 0.0098, -0.0203, 0.0036}}
356+------------+-------------+---------------+-------------+
357| Imageset | # indexed | # unindexed | % indexed |
358|------------+-------------+---------------+-------------|
359| 0 | 105712 | 698 | 99.3 |
360+------------+-------------+---------------+-------------+
361Increasing resolution to 1.43 Angstrom
362
363Indexed crystal models:
364model 1 (107089 reflections):
365Crystal:
366 Unit cell: 40.5519(5), 40.5583(5), 69.2938(9), 92.0190(3), 91.9725(3), 98.0761(4)
367 Space group: P 1
368 U matrix: {{ 0.8429, 0.5343, 0.0638},
369 {-0.1841, 0.1749, 0.9672},
370 { 0.5056, -0.8270, 0.2458}}
371 B matrix: {{ 0.0247, 0.0000, 0.0000},
372 { 0.0035, 0.0249, 0.0000},
373 { 0.0010, 0.0010, 0.0145}}
374 A = UB: {{ 0.0227, 0.0134, 0.0009},
375 {-0.0030, 0.0053, 0.0140},
376 { 0.0098, -0.0203, 0.0036}}
377+------------+-------------+---------------+-------------+
378| Imageset | # indexed | # unindexed | % indexed |
379|------------+-------------+---------------+-------------|
380| 0 | 107097 | 723 | 99.3 |
381+------------+-------------+---------------+-------------+
382
383################################################################################
384Starting refinement (macro-cycle 4)
385################################################################################
386
387
388Summary statistics for 106715 observations matched to predictions:
389+-------------------+---------+----------+------------+---------+--------+
390| | Min | Q1 | Med | Q3 | Max |
391|-------------------+---------+----------+------------+---------+--------|
392| Xc - Xo (mm) | -1.939 | -0.036 | -0.0006477 | 0.03379 | 0.3619 |
393| Yc - Yo (mm) | -1.114 | -0.03302 | -0.0004506 | 0.03208 | 1.479 |
394| Phic - Phio (deg) | -0.9716 | -0.08205 | 0.0008108 | 0.08438 | 1.301 |
395| X weights | 194 | 382 | 396.8 | 403.2 | 405.6 |
396| Y weights | 173.5 | 365.2 | 389.4 | 401.6 | 405.6 |
397| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
398+-------------------+---------+----------+------------+---------+--------+
399
400Detecting centroid outliers using the Tukey algorithm
4015604 reflections have been flagged as outliers
402101111 reflections remain in the manager
403
404Summary statistics for 101111 observations matched to predictions:
405+-------------------+---------+----------+------------+---------+--------+
406| | Min | Q1 | Med | Q3 | Max |
407|-------------------+---------+----------+------------+---------+--------|
408| Xc - Xo (mm) | -0.1747 | -0.03501 | -0.0007897 | 0.03243 | 0.1648 |
409| Yc - Yo (mm) | -0.1716 | -0.03118 | -0.0004102 | 0.03034 | 0.1979 |
410| Phic - Phio (deg) | -0.3525 | -0.08096 | 0.0004804 | 0.08264 | 0.3495 |
411| X weights | 210.9 | 384 | 397.6 | 403.4 | 405.6 |
412| Y weights | 191.7 | 368.6 | 390.9 | 401.9 | 405.6 |
413| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
414+-------------------+---------+----------+------------+---------+--------+
415
416There are 16 parameters to refine against 36000 reflections in 3 dimensions
417
418Refinement steps:
419+--------+--------+----------+----------+------------+
420| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
421| | | (mm) | (mm) | (deg) |
422|--------+--------+----------+----------+------------|
423| 0 | 36000 | 0.049499 | 0.048536 | 0.1067 |
424| 1 | 36000 | 0.049483 | 0.048491 | 0.10673 |
425| 2 | 36000 | 0.049474 | 0.048479 | 0.10676 |
426| 3 | 36000 | 0.049473 | 0.048472 | 0.10677 |
427| 4 | 36000 | 0.049473 | 0.04847 | 0.10677 |
428+--------+--------+----------+----------+------------+
429RMSD no longer decreasing
430
431RMSDs by experiment:
432+-------+--------+----------+----------+------------+
433| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
434| id | | (px) | (px) | (images) |
435|-------+--------+----------+----------+------------|
436| 0 | 36000 | 0.28764 | 0.2818 | 0.21355 |
437+-------+--------+----------+----------+------------+
438
439Refined crystal models:
440model 1 (107089 reflections):
441Crystal:
442 Unit cell: 40.5513(5), 40.5578(5), 69.2911(8), 92.0192(3), 91.9728(3), 98.0758(4)
443 Space group: P 1
444 U matrix: {{ 0.8429, 0.5343, 0.0638},
445 {-0.1841, 0.1749, 0.9672},
446 { 0.5056, -0.8270, 0.2458}}
447 B matrix: {{ 0.0247, 0.0000, 0.0000},
448 { 0.0035, 0.0249, 0.0000},
449 { 0.0010, 0.0010, 0.0145}}
450 A = UB: {{ 0.0227, 0.0134, 0.0009},
451 {-0.0030, 0.0053, 0.0140},
452 { 0.0098, -0.0203, 0.0036}}
453+------------+-------------+---------------+-------------+
454| Imageset | # indexed | # unindexed | % indexed |
455|------------+-------------+---------------+-------------|
456| 0 | 107089 | 731 | 99.3 |
457+------------+-------------+---------------+-------------+
458Increasing resolution to 1.29 Angstrom
459
460Indexed crystal models:
461model 1 (107264 reflections):
462Crystal:
463 Unit cell: 40.5513(5), 40.5578(5), 69.2911(8), 92.0192(3), 91.9728(3), 98.0758(4)
464 Space group: P 1
465 U matrix: {{ 0.8429, 0.5343, 0.0638},
466 {-0.1841, 0.1749, 0.9672},
467 { 0.5056, -0.8270, 0.2458}}
468 B matrix: {{ 0.0247, 0.0000, 0.0000},
469 { 0.0035, 0.0249, 0.0000},
470 { 0.0010, 0.0010, 0.0145}}
471 A = UB: {{ 0.0227, 0.0134, 0.0009},
472 {-0.0030, 0.0053, 0.0140},
473 { 0.0098, -0.0203, 0.0036}}
474+------------+-------------+---------------+-------------+
475| Imageset | # indexed | # unindexed | % indexed |
476|------------+-------------+---------------+-------------|
477| 0 | 107277 | 720 | 99.3 |
478+------------+-------------+---------------+-------------+
479
480################################################################################
481Starting refinement (macro-cycle 5)
482################################################################################
483
484
485Summary statistics for 106891 observations matched to predictions:
486+-------------------+---------+----------+------------+---------+--------+
487| | Min | Q1 | Med | Q3 | Max |
488|-------------------+---------+----------+------------+---------+--------|
489| Xc - Xo (mm) | -1.937 | -0.03563 | -0.0001711 | 0.03425 | 0.3641 |
490| Yc - Yo (mm) | -1.104 | -0.03295 | -0.0004634 | 0.0322 | 1.517 |
491| Phic - Phio (deg) | -0.9614 | -0.08213 | 0.0006723 | 0.08443 | 1.308 |
492| X weights | 194 | 381.9 | 396.8 | 403.2 | 405.6 |
493| Y weights | 143.8 | 365.1 | 389.4 | 401.6 | 405.6 |
494| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
495+-------------------+---------+----------+------------+---------+--------+
496
497Detecting centroid outliers using the Tukey algorithm
4985626 reflections have been flagged as outliers
499101265 reflections remain in the manager
500
501Summary statistics for 101265 observations matched to predictions:
502+-------------------+---------+----------+------------+---------+--------+
503| | Min | Q1 | Med | Q3 | Max |
504|-------------------+---------+----------+------------+---------+--------|
505| Xc - Xo (mm) | -0.1732 | -0.0347 | -0.0003111 | 0.03288 | 0.1637 |
506| Yc - Yo (mm) | -0.1724 | -0.03122 | -0.0004946 | 0.03034 | 0.201 |
507| Phic - Phio (deg) | -0.3539 | -0.08118 | 0.0003692 | 0.08282 | 0.3509 |
508| X weights | 210.9 | 383.9 | 397.5 | 403.4 | 405.6 |
509| Y weights | 143.8 | 368.4 | 390.9 | 401.9 | 405.6 |
510| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
511+-------------------+---------+----------+------------+---------+--------+
512
513There are 16 parameters to refine against 36000 reflections in 3 dimensions
514
515Refinement steps:
516+--------+--------+----------+----------+------------+
517| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
518| | | (mm) | (mm) | (deg) |
519|--------+--------+----------+----------+------------|
520| 0 | 36000 | 0.049518 | 0.04852 | 0.10693 |
521| 1 | 36000 | 0.049498 | 0.048528 | 0.10688 |
522| 2 | 36000 | 0.049495 | 0.048535 | 0.10686 |
523| 3 | 36000 | 0.049494 | 0.048537 | 0.10686 |
524+--------+--------+----------+----------+------------+
525RMSD no longer decreasing
526
527RMSDs by experiment:
528+-------+--------+----------+----------+------------+
529| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
530| id | | (px) | (px) | (images) |
531|-------+--------+----------+----------+------------|
532| 0 | 36000 | 0.28776 | 0.28219 | 0.21371 |
533+-------+--------+----------+----------+------------+
534
535Refined crystal models:
536model 1 (107264 reflections):
537Crystal:
538 Unit cell: 40.5519(5), 40.5585(5), 69.2922(8), 92.0198(3), 91.9722(3), 98.0759(4)
539 Space group: P 1
540 U matrix: {{ 0.8429, 0.5343, 0.0638},
541 {-0.1841, 0.1749, 0.9672},
542 { 0.5056, -0.8270, 0.2458}}
543 B matrix: {{ 0.0247, 0.0000, 0.0000},
544 { 0.0035, 0.0249, 0.0000},
545 { 0.0010, 0.0010, 0.0145}}
546 A = UB: {{ 0.0227, 0.0134, 0.0009},
547 {-0.0030, 0.0053, 0.0140},
548 { 0.0098, -0.0203, 0.0036}}
549+------------+-------------+---------------+-------------+
550| Imageset | # indexed | # unindexed | % indexed |
551|------------+-------------+---------------+-------------|
552| 0 | 107264 | 733 | 99.3 |
553+------------+-------------+---------------+-------------+
554Saving refined experiments to indexed.expt
555Saving refined reflections to indexed.refl
If successful, dials.index writes two output data files - an
indexed.expt containing the tuned
experimental model and determined parameters, and a indexed.refl
reflection file, including index data from the best fit.
It is worth reading through this output to understand what the indexing
program has done. Note that this log is automatically captured in the file
dials.index.log. A more verbose debug log can be generated by adding
the ‘-v’ option to a dials command line program, but this is probably only
helpful if something has gone wrong and you are trying to track down why.
Inspecting the beginning of the log shows that the indexing step is done at a resolution lower than the full dataset; 1.84 Å:
9Found max_cell: 94.4 Angstrom
10Setting d_min: 1.84
11FFT gridding: (256,256,256)
The resolution limit of data that can be used in indexing is determined by the size of the 3D FFT grid, and the likely maximum cell dimension. Here we used the default 256³ grid points. These are used to make an initial estimate for the unit cell parameters.
What then follows are ‘macro-cycles’ of refinement where the experimental model is first tuned to get the best possible fit from the data, and then the resolution limit is reduced to cover more data than the previous cycle. 16 parameters of the diffraction geometry are tuned - 6 for the detector, one for beam angle, 3 crystal orientation angles and the 6 triclinic cell parameters. At each stage only 36000 reflections are used in the refinement job. In order to save time, a subset of the input reflections are used - by default using 100 reflections for every degree of the 360° scan.
We see that the first macrocycle of refinement makes a big improvement in the positional RMSDs:
126+--------+--------+----------+----------+------------+
127| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
128| | | (mm) | (mm) | (deg) |
129|--------+--------+----------+----------+------------|
130| 0 | 36000 | 0.56197 | 0.55131 | 0.13413 |
131| 1 | 36000 | 0.24338 | 0.26503 | 0.15575 |
132| 2 | 36000 | 0.10648 | 0.13198 | 0.13476 |
133| 3 | 36000 | 0.055785 | 0.059567 | 0.10888 |
134| 4 | 36000 | 0.051066 | 0.052336 | 0.10514 |
135| 5 | 36000 | 0.050906 | 0.052372 | 0.10505 |
136| 6 | 36000 | 0.050901 | 0.052378 | 0.10505 |
137+--------+--------+----------+----------+------------+
Second and subsequent macrocycles are refined using the same number of reflections, but after extending to higher resolution. The RMSDs at the start of each cycle start off worse than at the end of the previous cycle, because the best fit model for lower resolution data is being applied to higher resolution reflections. As long as each macrocyle shows a reduction in RMSDs then refinement is doing its job of extending the applicability of the model out to a new resolution limit, until eventually the highest resolution strong spots have been included. The final macrocycle includes data out to 1.30 Å and produces a final model with RMSDs of 0.050 mm in X, 0.049 mm in Y and 0.104° in φ, corresponding to 0.29 pixels in X, 0.28 pixels in Y and 0.21 image widths in φ.
Despite the high quality of this data, we notice from the log that at each macrocycle there were some outliers identified and removed from refinement as resolution increases. Large outliers can dominate refinement using a least squares target, so it is important to be able to remove these. More about this is discussed below in Refinement. It’s also worth checking the total number of reflections that were unable to be assigned an index:
549+------------+-------------+---------------+-------------+
550| Imageset | # indexed | # unindexed | % indexed |
551|------------+-------------+---------------+-------------|
552| 0 | 107264 | 733 | 99.3 |
553+------------+-------------+---------------+-------------+
because this can be an indication of poor data quality or a sign that more
care needs to be taken in selecting the strategy used by dials.index.
After indexing it can be useful to inspect the reciprocal lattice again:
dials.reciprocal_lattice_viewer indexed.expt indexed.refl
Now indexed/unindexed spots are differentiated by colour, and it is possible to see which spots were marked by dials.refine as outliers. If you have a dataset with multiple lattices present, it may be possible to spot them in the unindexed reflections.
In this case, we can see that the refinement has clearly resolved whatever systematic error was causing distortions in the reciprocal space view, and the determined reciprocal unit cell fits the data well:
Bravais Lattice Refinement¶
Since we didn’t know the Bravais lattice before indexing, we can now use dials.refine_bravais_settings to determine likely candidates. This takes the results of the P1 autoindexing and runs refinement with all of the possible Bravais settings applied, allowing you to choose your preferred solution:
dials.refine_bravais_settings indexed.expt indexed.refl
giving a table containing scoring data and unit cell for each Bravais setting:
Chiral space groups corresponding to each Bravais lattice:
aP: P1
mP: P2 P21
mC: C2
oC: C2221 C222
+------------+--------------+--------+--------------+----------+-----------+------------------------------------------+----------+------------+
| Solution | Metric fit | rmsd | min/max cc | #spots | lattice | unit_cell | volume | cb_op |
|------------+--------------+--------+--------------+----------+-----------+------------------------------------------+----------+------------|
| 5 | 3.0457 | 2.375 | 0.604/0.968 | 35999 | oC | 52.59 60.69 68.41 90.00 90.00 90.00 | 218334 | a+b,-a+b,c |
| 4 | 3.0455 | 2.384 | 0.609/0.609 | 35999 | mC | 60.65 52.58 68.39 90.00 89.94 90.00 | 218080 | a-b,a+b,c |
| 3 | 3.0457 | 2.378 | 0.604/0.604 | 36000 | mP | 40.14 68.34 40.09 90.00 98.16 90.00 | 108857 | -a,-c,-b |
| * 2 | 0.0326 | 0.072 | 0.968/0.968 | 36000 | mC | 53.17 61.25 69.29 90.00 93.05 90.00 | 225340 | a+b,-a+b,c |
| * 1 | 0 | 0.07 | -/- | 36000 | aP | 40.55 40.56 69.29 92.02 91.97 98.08 | 112674 | a,b,c |
+------------+--------------+--------+--------------+----------+-----------+------------------------------------------+----------+------------+
* = recommended solution
Saving summary as bravais_summary.json
Saving solution 5 as bravais_setting_5.expt
Saving solution 4 as bravais_setting_4.expt
Saving solution 3 as bravais_setting_3.expt
Saving solution 2 as bravais_setting_2.expt
Saving solution 1 as bravais_setting_1.expt
The scores include the metric fit (in degrees), RMSDs (in mm), and the best and worse correlation coefficients for data related by symmetry elements implied by the lowest symmetry space group from the Bravais setting. This uses the raw spot intensity measurement from the spot- finding procedure (uncorrected and unscaled) but provides a very useful check to see if the data does appear to adhere to the proposed symmetry operators.
A separate bravais_setting_N.expt experiments file is written for
each plausible lattice type, corresponding to the solution index. In this
example we choose to continue processing with
bravais_setting_2.expt, which is the highest symmetry suggested
result - the options 3, 4, 5 have higher symmetries, but at the cost of
a steep jump in RMSd’s and worsening of fit.
In cases where the change of basis operator to the chosen setting is the
identity operator (a,b,c) we can proceed directly to further
refinement. However, we notice that the change of basis operator for our
chosen solution is a+b,-a+b,c, so it is necessary to reindex the
indexed.refl file output by using
dials.reindex:
dials.reindex indexed.refl change_of_basis_op=a+b,-a+b,c
This outputs the file reindexed.refl which we now
use as input to downstream programs, in place of the original
indexed.refl.
Refinement¶
The model is already refined during indexing, but we can also add explicit
refinement steps using dials.refine
in here, to use all reflections in refinement rather than a subset and to
fit a scan-varying model of the crystal. There are many options to
refinement - to show all the options up to and including expert_level=1
use this command:
dials.refine -c -e 1
and descriptions of each of the options can be included by adding -a1 to
the command. All of the main DIALS tools have equivalent command-line options
to list available options.
To refine over all reflections, and include the monoclinic constraints
from dials.refine_bravais_settings run:
dials.refine bravais_setting_2.expt reindexed.refl
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3
4input {
5 experiments = bravais_setting_2.expt
6 reflections = reindexed.refl
7}
8
9Configuring refiner
10Setting outlier.nproc=32
11
12Summary statistics for 106891 observations matched to predictions:
13+-------------------+--------+----------+------------+---------+--------+
14| | Min | Q1 | Med | Q3 | Max |
15|-------------------+--------+----------+------------+---------+--------|
16| Xc - Xo (mm) | -1.948 | -0.03532 | -7.621e-05 | 0.03409 | 0.3577 |
17| Yc - Yo (mm) | -1.174 | -0.03515 | -0.0003891 | 0.03422 | 1.681 |
18| Phic - Phio (deg) | -1.047 | -0.08285 | 0.0008039 | 0.08427 | 1.356 |
19| X weights | 194 | 381.9 | 396.8 | 403.2 | 405.6 |
20| Y weights | 143.8 | 365.1 | 389.4 | 401.6 | 405.6 |
21| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
22+-------------------+--------+----------+------------+---------+--------+
23
24Detecting centroid outliers using the MCD algorithm
2511207 reflections have been flagged as outliers
2695684 reflections remain in the manager
27
28Summary statistics for 95684 observations matched to predictions:
29+-------------------+---------+----------+------------+---------+--------+
30| | Min | Q1 | Med | Q3 | Max |
31|-------------------+---------+----------+------------+---------+--------|
32| Xc - Xo (mm) | -0.1758 | -0.03395 | -0.00103 | 0.03025 | 0.1723 |
33| Yc - Yo (mm) | -0.1843 | -0.03204 | -0.0007586 | 0.02982 | 0.2342 |
34| Phic - Phio (deg) | -0.3632 | -0.07953 | 0.0008083 | 0.08143 | 0.3193 |
35| X weights | 210.9 | 385.4 | 398.2 | 403.6 | 405.6 |
36| Y weights | 143.8 | 370.6 | 392.1 | 402.2 | 405.6 |
37| Phi weights | 40.76 | 47.94 | 48 | 48 | 48 |
38+-------------------+---------+----------+------------+---------+--------+
39
40There are 14 parameters to refine against 95684 reflections in 3 dimensions
41Performing refinement of a single Experiment...
42
43Refinement steps:
44+--------+--------+----------+----------+------------+
45| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
46| | | (mm) | (mm) | (deg) |
47|--------+--------+----------+----------+------------|
48| 0 | 95684 | 0.046337 | 0.048039 | 0.10463 |
49| 1 | 95684 | 0.046274 | 0.047964 | 0.10467 |
50| 2 | 95684 | 0.046255 | 0.047941 | 0.10472 |
51| 3 | 95684 | 0.046259 | 0.047928 | 0.10474 |
52| 4 | 95684 | 0.046263 | 0.047924 | 0.10475 |
53+--------+--------+----------+----------+------------+
54RMSD no longer decreasing
55
56RMSDs by experiment:
57+-------+--------+----------+----------+------------+
58| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
59| id | | (px) | (px) | (images) |
60|-------+--------+----------+----------+------------|
61| 0 | 95684 | 0.26897 | 0.27863 | 0.20949 |
62+-------+--------+----------+----------+------------+
63Updating predictions for indexed reflections
64
65Scan-varying refinement
66Configuring refiner
67
68Summary statistics for 106889 observations matched to predictions:
69+-------------------+--------+----------+-----------+---------+--------+
70| | Min | Q1 | Med | Q3 | Max |
71|-------------------+--------+----------+-----------+---------+--------|
72| Xc - Xo (mm) | -1.94 | -0.03433 | 0.0006215 | 0.03482 | 0.3635 |
73| Yc - Yo (mm) | -1.181 | -0.03495 | -9.53e-05 | 0.0345 | 1.727 |
74| Phic - Phio (deg) | -1.061 | -0.0839 | 3.781e-05 | 0.08362 | 1.378 |
75| X weights | 194 | 381.9 | 396.8 | 403.2 | 405.6 |
76| Y weights | 143.8 | 365.1 | 389.4 | 401.6 | 405.6 |
77| Phi weights | 39.29 | 47.95 | 48 | 48 | 48 |
78+-------------------+--------+----------+-----------+---------+--------+
79
80Detecting centroid outliers using the MCD algorithm
8111457 reflections have been flagged as outliers
8295432 reflections remain in the manager
83
84Summary statistics for 95432 observations matched to predictions:
85+-------------------+---------+----------+------------+---------+--------+
86| | Min | Q1 | Med | Q3 | Max |
87|-------------------+---------+----------+------------+---------+--------|
88| Xc - Xo (mm) | -0.1597 | -0.03294 | -0.000379 | 0.03065 | 0.1746 |
89| Yc - Yo (mm) | -0.1822 | -0.03149 | -0.0003546 | 0.03034 | 0.2338 |
90| Phic - Phio (deg) | -0.3681 | -0.08069 | -2.365e-05 | 0.08057 | 0.3162 |
91| X weights | 210.9 | 385.5 | 398.2 | 403.6 | 405.6 |
92| Y weights | 143.8 | 370.7 | 392.1 | 402.3 | 405.6 |
93| Phi weights | 40.76 | 47.94 | 48 | 48 | 48 |
94+-------------------+---------+----------+------------+---------+--------+
95
96There are 91 parameters to refine against 95432 reflections in 3 dimensions
97Performing refinement of a single Experiment...
98
99Refinement steps:
100+--------+--------+----------+----------+------------+
101| Step | Nref | RMSD_X | RMSD_Y | RMSD_Phi |
102| | | (mm) | (mm) | (deg) |
103|--------+--------+----------+----------+------------|
104| 0 | 95432 | 0.04602 | 0.047837 | 0.10469 |
105| 1 | 95432 | 0.043154 | 0.040661 | 0.10341 |
106| 2 | 95432 | 0.041158 | 0.039695 | 0.1028 |
107| 3 | 95432 | 0.040613 | 0.039489 | 0.10246 |
108| 4 | 95432 | 0.040498 | 0.03948 | 0.10226 |
109| 5 | 95432 | 0.040475 | 0.039476 | 0.10215 |
110| 6 | 95432 | 0.040471 | 0.039475 | 0.10214 |
111| 7 | 95432 | 0.040469 | 0.039476 | 0.10213 |
112+--------+--------+----------+----------+------------+
113RMSD no longer decreasing
114
115RMSDs by experiment:
116+-------+--------+----------+----------+------------+
117| Exp | Nref | RMSD_X | RMSD_Y | RMSD_Z |
118| id | | (px) | (px) | (images) |
119|-------+--------+----------+----------+------------|
120| 0 | 95432 | 0.23529 | 0.22951 | 0.20427 |
121+-------+--------+----------+----------+------------+
122Updating predictions for indexed reflections
123
124Final refined crystal model:
125Crystal:
126 Unit cell: 53.1698(3), 61.2426(5), 69.2883(5), 90.0, 93.04558(17), 90.0
127 Space group: C 1 2 1
128 U matrix: {{ 0.9560, -0.2863, 0.0639},
129 { 0.0114, 0.2539, 0.9672},
130 {-0.2931, -0.9239, 0.2460}}
131 B matrix: {{ 0.0188, 0.0000, 0.0000},
132 { 0.0000, 0.0163, 0.0000},
133 { 0.0010, 0.0000, 0.0145}}
134 A = UB: {{ 0.0180, -0.0047, 0.0009},
135 { 0.0012, 0.0041, 0.0140},
136 {-0.0053, -0.0151, 0.0036}}
137 A sampled at 721 scan points
138Saving refined experiments to refined.expt
139Saving reflections with updated predictions to refined.refl
This provides a good reduction in RMSDs, indicating a better fit, and writes
the results out to refined.expt and refined.refl.
Two passes of refinement are actually done here - an initial pass where unit cell and crystal rotation is consistent over the length of the experiment, and a second pass where these are allowed to vary. This scan-varying refinement allows compensation for small missets in the rotation of the goniometer, and compensation for changes to the unit cell dimensions; typically due to radiation damage. By default, the refinement looks for smooth changes over intervals of 30°, to avoid fitting unphysical models to noise, though this interval can be configured.
We can use the HTML report, described shortly, to view the results of fitting to smoothly varying crystal cell parameters:
In this tutorial, we see no overall increase in all three cell parameters. If significant cell volume increases had been observed that might be indicative of radiation damage. However we can’t yet conclude that there is no radiation damage from the lack of considerable change observed.
Integration¶
After the refinement is done the next step is integration, which is performed by the program dials.integrate. Mostly, the default parameters are fine for Pilatus data, which will perform XDS-like 3D profile fitting while using a generalized linear model in order to fit a Poisson-distributed background model. We will also increase the number of processors used to speed the job up.
dials.integrate refined.expt refined.refl nproc=4
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3integration {
4 mp {
5 nproc = 4
6 }
7}
8input {
9 experiments = refined.expt
10 reflections = refined.refl
11}
12
13
14================================================================================
15
16Experiments
17
18Models for experiment 0
19
20Beam:
21 probe: x-ray
22 wavelength: 1.23985
23 sample to source direction : {0.000831161,-0,1}
24 divergence: 0
25 sigma divergence: 0
26 polarization normal: {0,1,0}
27 polarization fraction: 0.999
28 flux: 0
29 transmission: 1
30 sample to source distance: 0
31
32Detector:
33Panel:
34 name: Panel
35 type: SENSOR_PAD
36 identifier:
37 pixel_size:{0.172,0.172}
38 image_size: {2463,2527}
39 trusted_range: {0,1.22424e+06}
40 thickness: 0.32
41 material: Si
42 mu: 7.89652
43 gain: 1
44 pedestal: 0
45 fast_axis: {0.999913,-0.00556579,-0.011931}
46 slow_axis: {-0.00567871,-0.999939,-0.00945197}
47 origin: {-217.505,210.385,-164.521}
48 distance: 169.088
49 pixel to millimeter strategy: ParallaxCorrectedPxMmStrategy
50 mu: 7.89652
51 t0: 0.32
52
53Goniometer:
54 Rotation axis: {1,0,0}
55 Fixed rotation: {0.965028,0.0598562,-0.255222,-0.128604,-0.74028,-0.659883,-0.228434,0.669628,-0.706694}
56 Setting rotation:{1,0,0,0,1,0,0,0,1}
57 Axis #0 (GON_PHI): {1,0,0}
58 Axis #1 (GON_KAPPA): {0.914,0.279,-0.297}
59 Axis #2 (GON_OMEGA): {1,0,0}
60 Angles: 102.6,37.9,0
61 scan axis: #2 (GON_OMEGA)
62
63Scan:
64 number of images: 720
65 image range: {1,720}
66 epoch: 1.46307e+09
67 exposure time: 0.5
68 oscillation: {0,0.5}
69
70Crystal:
71 Unit cell: 53.1698(3), 61.2426(5), 69.2883(5), 90.0, 93.04558(17), 90.0
72 Space group: C 1 2 1
73 U matrix: {{ 0.9560, -0.2863, 0.0639},
74 { 0.0114, 0.2539, 0.9672},
75 {-0.2931, -0.9239, 0.2460}}
76 B matrix: {{ 0.0188, 0.0000, 0.0000},
77 { 0.0000, 0.0163, 0.0000},
78 { 0.0010, 0.0000, 0.0145}}
79 A = UB: {{ 0.0180, -0.0047, 0.0009},
80 { 0.0012, 0.0041, 0.0140},
81 {-0.0053, -0.0151, 0.0036}}
82 A sampled at 721 scan points
83
84================================================================================
85
86Initialising
87Processing reference reflections
88 read 107999 strong spots
89 removing 735 unindexed reflections
90 removing 11833 reflections marked as bad for refinement
91 using 95431 indexed reflections
92 found 12568 junk reflections
93 masked neighbouring pixels in 4 shoeboxes
94
95================================================================================
96
97Predicting reflections
98Prediction type: scan varying crystal prediction
99Predicted 368590 reflections
100Matching reference spots with predicted reflections
101 95431 observed reflections input
102 368590 reflections predicted
103 95430 reflections matched
104 95430 reflections accepted
105
106********************************************************************************
107Warning: 1 reference spots were not matched to predictions
108********************************************************************************
109
110Using 95430 / 95430 reflections for sigma calculation
111Calculating E.S.D Beam Divergence.
112Calculating E.S.D Reflecting Range (mosaicity).
113 sigma b: 0.044181 degrees
114 sigma m: 0.057789 degrees
115================================================================================
116
117Processing reflections
118
119 Processing the following experiments:
120
121 Experiments: 1
122 Beams: 1
123 Detectors: 1
124 Goniometers: 1
125 Scans: 1
126 Crystals: 1
127 Imagesets: 1
128
129================================================================================
130
131Modelling reflection profiles
132
133 Split 13 reflections overlapping job boundaries
134
135Memory situation report:
136 Available system memory : 201.2 GB
137 Maximum memory for processing : 181.1 GB
138 Memory required per process : 0.0 GB
139
140Processing reflections in the following blocks of images:
141
142 block_size: Auto
143
144+-----+---------+--------------+------------+--------------+------------+-----------------+
145| # | Group | Frame From | Frame To | Angle From | Angle To | # Reflections |
146|-----+---------+--------------+------------+--------------+------------+-----------------|
147| 0 | 0 | 1 | 183 | 0 | 91.5 | 26302 |
148| 1 | 0 | 181 | 363 | 90 | 181.5 | 22778 |
149| 2 | 0 | 361 | 543 | 180 | 271.5 | 23887 |
150| 3 | 0 | 541 | 720 | 270 | 360 | 22476 |
151+-----+---------+--------------+------------+--------------+------------+-----------------+
152
153 Using multiprocessing with 4 parallel job(s)
154
155
156 Frames: 1 -> 183
157
158 Number of reflections
159 Partial: 91
160 Full: 26211
161 In ice ring: 0
162 Total: 26302
163
164
165 Frames: 181 -> 363
166
167 Number of reflections
168 Partial: 7
169 Full: 22771
170 In ice ring: 0
171 Total: 22778
172
173
174 Frames: 361 -> 543
175
176 Number of reflections
177 Partial: 10
178 Full: 23877
179 In ice ring: 0
180 Total: 23887
181
182
183 Frames: 541 -> 720
184
185 Number of reflections
186 Partial: 75
187 Full: 22401
188 In ice ring: 0
189 Total: 22476
190
191
192 Summary of profile model
193+------+-----------+-----------+----------+----------+----------+-----------------+
194| ID | Profile | Created | X (px) | Y (px) | Z (im) | # reflections |
195|------+-----------+-----------+----------+----------+----------+-----------------|
196| 0 | 0 | True | 410.5 | 421.17 | 5 | 1689 |
197| 0 | 1 | True | 1231.5 | 421.17 | 5 | 2008 |
198| 0 | 2 | True | 2052.5 | 421.17 | 5 | 1807 |
199| 0 | 3 | True | 410.5 | 1263.5 | 5 | 2341 |
200| 0 | 4 | True | 1231.5 | 1263.5 | 5 | 2815 |
201| 0 | 5 | True | 2052.5 | 1263.5 | 5 | 2569 |
202| 0 | 6 | True | 410.5 | 2105.83 | 5 | 1756 |
203| 0 | 7 | True | 1231.5 | 2105.83 | 5 | 2168 |
204| 0 | 8 | True | 2052.5 | 2105.83 | 5 | 1965 |
205| 0 | 9 | True | 410.5 | 421.17 | 15 | 2560 |
206| 0 | 10 | True | 1231.5 | 421.17 | 15 | 3052 |
207| 0 | 11 | True | 2052.5 | 421.17 | 15 | 2733 |
208| 0 | 12 | True | 410.5 | 1263.5 | 15 | 3546 |
209| 0 | 13 | True | 1231.5 | 1263.5 | 15 | 4266 |
210| 0 | 14 | True | 2052.5 | 1263.5 | 15 | 3869 |
211| 0 | 15 | True | 410.5 | 2105.83 | 15 | 2654 |
212| 0 | 16 | True | 1231.5 | 2105.83 | 15 | 3274 |
213| 0 | 17 | True | 2052.5 | 2105.83 | 15 | 2953 |
214| 0 | 18 | True | 410.5 | 421.17 | 25 | 2634 |
215| 0 | 19 | True | 1231.5 | 421.17 | 25 | 3140 |
216| 0 | 20 | True | 2052.5 | 421.17 | 25 | 2788 |
217| 0 | 21 | True | 410.5 | 1263.5 | 25 | 3602 |
218| 0 | 22 | True | 1231.5 | 1263.5 | 25 | 4310 |
219| 0 | 23 | True | 2052.5 | 1263.5 | 25 | 3881 |
220| 0 | 24 | True | 410.5 | 2105.83 | 25 | 2613 |
221| 0 | 25 | True | 1231.5 | 2105.83 | 25 | 3202 |
222| 0 | 26 | True | 2052.5 | 2105.83 | 25 | 2874 |
223| 0 | 27 | True | 410.5 | 421.17 | 35 | 2691 |
224| 0 | 28 | True | 1231.5 | 421.17 | 35 | 3207 |
225| 0 | 29 | True | 2052.5 | 421.17 | 35 | 2843 |
226| 0 | 30 | True | 410.5 | 1263.5 | 35 | 3644 |
227| 0 | 31 | True | 1231.5 | 1263.5 | 35 | 4340 |
228| 0 | 32 | True | 2052.5 | 1263.5 | 35 | 3899 |
229| 0 | 33 | True | 410.5 | 2105.83 | 35 | 2562 |
230| 0 | 34 | True | 1231.5 | 2105.83 | 35 | 3128 |
231| 0 | 35 | True | 2052.5 | 2105.83 | 35 | 2807 |
232| 0 | 36 | True | 410.5 | 421.17 | 45 | 2751 |
233| 0 | 37 | True | 1231.5 | 421.17 | 45 | 3264 |
234| 0 | 38 | True | 2052.5 | 421.17 | 45 | 2894 |
235| 0 | 39 | True | 410.5 | 1263.5 | 45 | 3629 |
236| 0 | 40 | True | 1231.5 | 1263.5 | 45 | 4289 |
237| 0 | 41 | True | 2052.5 | 1263.5 | 45 | 3867 |
238| 0 | 42 | True | 410.5 | 2105.83 | 45 | 2445 |
239| 0 | 43 | True | 1231.5 | 2105.83 | 45 | 2966 |
240| 0 | 44 | True | 2052.5 | 2105.83 | 45 | 2685 |
241| 0 | 45 | True | 410.5 | 421.17 | 55 | 2818 |
242| 0 | 46 | True | 1231.5 | 421.17 | 55 | 3327 |
243| 0 | 47 | True | 2052.5 | 421.17 | 55 | 2945 |
244| 0 | 48 | True | 410.5 | 1263.5 | 55 | 3628 |
245| 0 | 49 | True | 1231.5 | 1263.5 | 55 | 4263 |
246| 0 | 50 | True | 2052.5 | 1263.5 | 55 | 3835 |
247| 0 | 51 | True | 410.5 | 2105.83 | 55 | 2378 |
248| 0 | 52 | True | 1231.5 | 2105.83 | 55 | 2865 |
249| 0 | 53 | True | 2052.5 | 2105.83 | 55 | 2594 |
250| 0 | 54 | True | 410.5 | 421.17 | 65 | 2875 |
251| 0 | 55 | True | 1231.5 | 421.17 | 65 | 3403 |
252| 0 | 56 | True | 2052.5 | 421.17 | 65 | 2987 |
253| 0 | 57 | True | 410.5 | 1263.5 | 65 | 3630 |
254| 0 | 58 | True | 1231.5 | 1263.5 | 65 | 4266 |
255| 0 | 59 | True | 2052.5 | 1263.5 | 65 | 3815 |
256| 0 | 60 | True | 410.5 | 2105.83 | 65 | 2302 |
257| 0 | 61 | True | 1231.5 | 2105.83 | 65 | 2763 |
258| 0 | 62 | True | 2052.5 | 2105.83 | 65 | 2500 |
259| 0 | 63 | True | 410.5 | 421.17 | 75 | 2984 |
260| 0 | 64 | True | 1231.5 | 421.17 | 75 | 3537 |
261| 0 | 65 | True | 2052.5 | 421.17 | 75 | 3075 |
262| 0 | 66 | True | 410.5 | 1263.5 | 75 | 3674 |
263| 0 | 67 | True | 1231.5 | 1263.5 | 75 | 4328 |
264| 0 | 68 | True | 2052.5 | 1263.5 | 75 | 3833 |
265| 0 | 69 | True | 410.5 | 2105.83 | 75 | 2244 |
266| 0 | 70 | True | 1231.5 | 2105.83 | 75 | 2703 |
267| 0 | 71 | True | 2052.5 | 2105.83 | 75 | 2429 |
268| 0 | 72 | True | 410.5 | 421.17 | 85 | 3028 |
269| 0 | 73 | True | 1231.5 | 421.17 | 85 | 3618 |
270| 0 | 74 | True | 2052.5 | 421.17 | 85 | 3137 |
271| 0 | 75 | True | 410.5 | 1263.5 | 85 | 3680 |
272| 0 | 76 | True | 1231.5 | 1263.5 | 85 | 4369 |
273| 0 | 77 | True | 2052.5 | 1263.5 | 85 | 3863 |
274| 0 | 78 | True | 410.5 | 2105.83 | 85 | 2171 |
275| 0 | 79 | True | 1231.5 | 2105.83 | 85 | 2648 |
276| 0 | 80 | True | 2052.5 | 2105.83 | 85 | 2403 |
277| 0 | 81 | True | 410.5 | 421.17 | 95 | 3143 |
278| 0 | 82 | True | 1231.5 | 421.17 | 95 | 3748 |
279| 0 | 83 | True | 2052.5 | 421.17 | 95 | 3230 |
280| 0 | 84 | True | 410.5 | 1263.5 | 95 | 3742 |
281| 0 | 85 | True | 1231.5 | 1263.5 | 95 | 4441 |
282| 0 | 86 | True | 2052.5 | 1263.5 | 95 | 3905 |
283| 0 | 87 | True | 410.5 | 2105.83 | 95 | 2159 |
284| 0 | 88 | True | 1231.5 | 2105.83 | 95 | 2640 |
285| 0 | 89 | True | 2052.5 | 2105.83 | 95 | 2395 |
286| 0 | 90 | True | 410.5 | 421.17 | 105 | 3174 |
287| 0 | 91 | True | 1231.5 | 421.17 | 105 | 3785 |
288| 0 | 92 | True | 2052.5 | 421.17 | 105 | 3280 |
289| 0 | 93 | True | 410.5 | 1263.5 | 105 | 3750 |
290| 0 | 94 | True | 1231.5 | 1263.5 | 105 | 4450 |
291| 0 | 95 | True | 2052.5 | 1263.5 | 105 | 3926 |
292| 0 | 96 | True | 410.5 | 2105.83 | 105 | 2130 |
293| 0 | 97 | True | 1231.5 | 2105.83 | 105 | 2602 |
294| 0 | 98 | True | 2052.5 | 2105.83 | 105 | 2378 |
295| 0 | 99 | True | 410.5 | 421.17 | 115 | 3277 |
296| 0 | 100 | True | 1231.5 | 421.17 | 115 | 3889 |
297| 0 | 101 | True | 2052.5 | 421.17 | 115 | 3348 |
298| 0 | 102 | True | 410.5 | 1263.5 | 115 | 3805 |
299| 0 | 103 | True | 1231.5 | 1263.5 | 115 | 4492 |
300| 0 | 104 | True | 2052.5 | 1263.5 | 115 | 3929 |
301| 0 | 105 | True | 410.5 | 2105.83 | 115 | 2150 |
302| 0 | 106 | True | 1231.5 | 2105.83 | 115 | 2605 |
303| 0 | 107 | True | 2052.5 | 2105.83 | 115 | 2354 |
304| 0 | 108 | True | 410.5 | 421.17 | 125 | 3234 |
305| 0 | 109 | True | 1231.5 | 421.17 | 125 | 3826 |
306| 0 | 110 | True | 2052.5 | 421.17 | 125 | 3262 |
307| 0 | 111 | True | 410.5 | 1263.5 | 125 | 3717 |
308| 0 | 112 | True | 1231.5 | 1263.5 | 125 | 4379 |
309| 0 | 113 | True | 2052.5 | 1263.5 | 125 | 3790 |
310| 0 | 114 | True | 410.5 | 2105.83 | 125 | 2134 |
311| 0 | 115 | True | 1231.5 | 2105.83 | 125 | 2575 |
312| 0 | 116 | True | 2052.5 | 2105.83 | 125 | 2308 |
313| 0 | 117 | True | 410.5 | 421.17 | 135 | 3210 |
314| 0 | 118 | True | 1231.5 | 421.17 | 135 | 3776 |
315| 0 | 119 | True | 2052.5 | 421.17 | 135 | 3194 |
316| 0 | 120 | True | 410.5 | 1263.5 | 135 | 3660 |
317| 0 | 121 | True | 1231.5 | 1263.5 | 135 | 4291 |
318| 0 | 122 | True | 2052.5 | 1263.5 | 135 | 3683 |
319| 0 | 123 | True | 410.5 | 2105.83 | 135 | 2143 |
320| 0 | 124 | True | 1231.5 | 2105.83 | 135 | 2573 |
321| 0 | 125 | True | 2052.5 | 2105.83 | 135 | 2282 |
322| 0 | 126 | True | 410.5 | 421.17 | 145 | 3112 |
323| 0 | 127 | True | 1231.5 | 421.17 | 145 | 3658 |
324| 0 | 128 | True | 2052.5 | 421.17 | 145 | 3104 |
325| 0 | 129 | True | 410.5 | 1263.5 | 145 | 3555 |
326| 0 | 130 | True | 1231.5 | 1263.5 | 145 | 4165 |
327| 0 | 131 | True | 2052.5 | 1263.5 | 145 | 3586 |
328| 0 | 132 | True | 410.5 | 2105.83 | 145 | 2149 |
329| 0 | 133 | True | 1231.5 | 2105.83 | 145 | 2574 |
330| 0 | 134 | True | 2052.5 | 2105.83 | 145 | 2288 |
331| 0 | 135 | True | 410.5 | 421.17 | 155 | 3047 |
332| 0 | 136 | True | 1231.5 | 421.17 | 155 | 3578 |
333| 0 | 137 | True | 2052.5 | 421.17 | 155 | 3061 |
334| 0 | 138 | True | 410.5 | 1263.5 | 155 | 3493 |
335| 0 | 139 | True | 1231.5 | 1263.5 | 155 | 4087 |
336| 0 | 140 | True | 2052.5 | 1263.5 | 155 | 3549 |
337| 0 | 141 | True | 410.5 | 2105.83 | 155 | 2149 |
338| 0 | 142 | True | 1231.5 | 2105.83 | 155 | 2583 |
339| 0 | 143 | True | 2052.5 | 2105.83 | 155 | 2302 |
340| 0 | 144 | True | 410.5 | 421.17 | 165 | 3024 |
341| 0 | 145 | True | 1231.5 | 421.17 | 165 | 3546 |
342| 0 | 146 | True | 2052.5 | 421.17 | 165 | 3019 |
343| 0 | 147 | True | 410.5 | 1263.5 | 165 | 3479 |
344| 0 | 148 | True | 1231.5 | 1263.5 | 165 | 4061 |
345| 0 | 149 | True | 2052.5 | 1263.5 | 165 | 3515 |
346| 0 | 150 | True | 410.5 | 2105.83 | 165 | 2193 |
347| 0 | 151 | True | 1231.5 | 2105.83 | 165 | 2632 |
348| 0 | 152 | True | 2052.5 | 2105.83 | 165 | 2332 |
349| 0 | 153 | True | 410.5 | 421.17 | 175 | 2950 |
350| 0 | 154 | True | 1231.5 | 421.17 | 175 | 3464 |
351| 0 | 155 | True | 2052.5 | 421.17 | 175 | 2938 |
352| 0 | 156 | True | 410.5 | 1263.5 | 175 | 3394 |
353| 0 | 157 | True | 1231.5 | 1263.5 | 175 | 3961 |
354| 0 | 158 | True | 2052.5 | 1263.5 | 175 | 3423 |
355| 0 | 159 | True | 410.5 | 2105.83 | 175 | 2188 |
356| 0 | 160 | True | 1231.5 | 2105.83 | 175 | 2626 |
357| 0 | 161 | True | 2052.5 | 2105.83 | 175 | 2319 |
358| 0 | 162 | True | 410.5 | 421.17 | 185 | 2904 |
359| 0 | 163 | True | 1231.5 | 421.17 | 185 | 3408 |
360| 0 | 164 | True | 2052.5 | 421.17 | 185 | 2894 |
361| 0 | 165 | True | 410.5 | 1263.5 | 185 | 3330 |
362| 0 | 166 | True | 1231.5 | 1263.5 | 185 | 3883 |
363| 0 | 167 | True | 2052.5 | 1263.5 | 185 | 3358 |
364| 0 | 168 | True | 410.5 | 2105.83 | 185 | 2215 |
365| 0 | 169 | True | 1231.5 | 2105.83 | 185 | 2647 |
366| 0 | 170 | True | 2052.5 | 2105.83 | 185 | 2333 |
367| 0 | 171 | True | 410.5 | 421.17 | 195 | 2796 |
368| 0 | 172 | True | 1231.5 | 421.17 | 195 | 3295 |
369| 0 | 173 | True | 2052.5 | 421.17 | 195 | 2816 |
370| 0 | 174 | True | 410.5 | 1263.5 | 195 | 3221 |
371| 0 | 175 | True | 1231.5 | 1263.5 | 195 | 3767 |
372| 0 | 176 | True | 2052.5 | 1263.5 | 195 | 3273 |
373| 0 | 177 | True | 410.5 | 2105.83 | 195 | 2234 |
374| 0 | 178 | True | 1231.5 | 2105.83 | 195 | 2667 |
375| 0 | 179 | True | 2052.5 | 2105.83 | 195 | 2352 |
376| 0 | 180 | True | 410.5 | 421.17 | 205 | 2705 |
377| 0 | 181 | True | 1231.5 | 421.17 | 205 | 3184 |
378| 0 | 182 | True | 2052.5 | 421.17 | 205 | 2719 |
379| 0 | 183 | True | 410.5 | 1263.5 | 205 | 3107 |
380| 0 | 184 | True | 1231.5 | 1263.5 | 205 | 3647 |
381| 0 | 185 | True | 2052.5 | 1263.5 | 205 | 3163 |
382| 0 | 186 | True | 410.5 | 2105.83 | 205 | 2213 |
383| 0 | 187 | True | 1231.5 | 2105.83 | 205 | 2660 |
384| 0 | 188 | True | 2052.5 | 2105.83 | 205 | 2329 |
385| 0 | 189 | True | 410.5 | 421.17 | 215 | 2632 |
386| 0 | 190 | True | 1231.5 | 421.17 | 215 | 3091 |
387| 0 | 191 | True | 2052.5 | 421.17 | 215 | 2631 |
388| 0 | 192 | True | 410.5 | 1263.5 | 215 | 3056 |
389| 0 | 193 | True | 1231.5 | 1263.5 | 215 | 3588 |
390| 0 | 194 | True | 2052.5 | 1263.5 | 215 | 3107 |
391| 0 | 195 | True | 410.5 | 2105.83 | 215 | 2230 |
392| 0 | 196 | True | 1231.5 | 2105.83 | 215 | 2670 |
393| 0 | 197 | True | 2052.5 | 2105.83 | 215 | 2329 |
394| 0 | 198 | True | 410.5 | 421.17 | 225 | 2530 |
395| 0 | 199 | True | 1231.5 | 421.17 | 225 | 2982 |
396| 0 | 200 | True | 2052.5 | 421.17 | 225 | 2525 |
397| 0 | 201 | True | 410.5 | 1263.5 | 225 | 2966 |
398| 0 | 202 | True | 1231.5 | 1263.5 | 225 | 3496 |
399| 0 | 203 | True | 2052.5 | 1263.5 | 225 | 3016 |
400| 0 | 204 | True | 410.5 | 2105.83 | 225 | 2198 |
401| 0 | 205 | True | 1231.5 | 2105.83 | 225 | 2637 |
402| 0 | 206 | True | 2052.5 | 2105.83 | 225 | 2296 |
403| 0 | 207 | True | 410.5 | 421.17 | 235 | 2567 |
404| 0 | 208 | True | 1231.5 | 421.17 | 235 | 3005 |
405| 0 | 209 | True | 2052.5 | 421.17 | 235 | 2543 |
406| 0 | 210 | True | 410.5 | 1263.5 | 235 | 3048 |
407| 0 | 211 | True | 1231.5 | 1263.5 | 235 | 3572 |
408| 0 | 212 | True | 2052.5 | 1263.5 | 235 | 3084 |
409| 0 | 213 | True | 410.5 | 2105.83 | 235 | 2282 |
410| 0 | 214 | True | 1231.5 | 2105.83 | 235 | 2716 |
411| 0 | 215 | True | 2052.5 | 2105.83 | 235 | 2367 |
412| 0 | 216 | True | 410.5 | 421.17 | 245 | 2548 |
413| 0 | 217 | True | 1231.5 | 421.17 | 245 | 2988 |
414| 0 | 218 | True | 2052.5 | 421.17 | 245 | 2524 |
415| 0 | 219 | True | 410.5 | 1263.5 | 245 | 3057 |
416| 0 | 220 | True | 1231.5 | 1263.5 | 245 | 3582 |
417| 0 | 221 | True | 2052.5 | 1263.5 | 245 | 3080 |
418| 0 | 222 | True | 410.5 | 2105.83 | 245 | 2306 |
419| 0 | 223 | True | 1231.5 | 2105.83 | 245 | 2744 |
420| 0 | 224 | True | 2052.5 | 2105.83 | 245 | 2380 |
421| 0 | 225 | True | 410.5 | 421.17 | 255 | 2620 |
422| 0 | 226 | True | 1231.5 | 421.17 | 255 | 3057 |
423| 0 | 227 | True | 2052.5 | 421.17 | 255 | 2591 |
424| 0 | 228 | True | 410.5 | 1263.5 | 255 | 3157 |
425| 0 | 229 | True | 1231.5 | 1263.5 | 255 | 3693 |
426| 0 | 230 | True | 2052.5 | 1263.5 | 255 | 3182 |
427| 0 | 231 | True | 410.5 | 2105.83 | 255 | 2374 |
428| 0 | 232 | True | 1231.5 | 2105.83 | 255 | 2834 |
429| 0 | 233 | True | 2052.5 | 2105.83 | 255 | 2452 |
430| 0 | 234 | True | 410.5 | 421.17 | 265 | 2616 |
431| 0 | 235 | True | 1231.5 | 421.17 | 265 | 3037 |
432| 0 | 236 | True | 2052.5 | 421.17 | 265 | 2562 |
433| 0 | 237 | True | 410.5 | 1263.5 | 265 | 3211 |
434| 0 | 238 | True | 1231.5 | 1263.5 | 265 | 3731 |
435| 0 | 239 | True | 2052.5 | 1263.5 | 265 | 3187 |
436| 0 | 240 | True | 410.5 | 2105.83 | 265 | 2443 |
437| 0 | 241 | True | 1231.5 | 2105.83 | 265 | 2895 |
438| 0 | 242 | True | 2052.5 | 2105.83 | 265 | 2463 |
439| 0 | 243 | True | 410.5 | 421.17 | 275 | 2619 |
440| 0 | 244 | True | 1231.5 | 421.17 | 275 | 3019 |
441| 0 | 245 | True | 2052.5 | 421.17 | 275 | 2548 |
442| 0 | 246 | True | 410.5 | 1263.5 | 275 | 3272 |
443| 0 | 247 | True | 1231.5 | 1263.5 | 275 | 3771 |
444| 0 | 248 | True | 2052.5 | 1263.5 | 275 | 3215 |
445| 0 | 249 | True | 410.5 | 2105.83 | 275 | 2498 |
446| 0 | 250 | True | 1231.5 | 2105.83 | 275 | 2946 |
447| 0 | 251 | True | 2052.5 | 2105.83 | 275 | 2482 |
448| 0 | 252 | True | 410.5 | 421.17 | 285 | 2560 |
449| 0 | 253 | True | 1231.5 | 421.17 | 285 | 2939 |
450| 0 | 254 | True | 2052.5 | 421.17 | 285 | 2481 |
451| 0 | 255 | True | 410.5 | 1263.5 | 285 | 3286 |
452| 0 | 256 | True | 1231.5 | 1263.5 | 285 | 3760 |
453| 0 | 257 | True | 2052.5 | 1263.5 | 285 | 3194 |
454| 0 | 258 | True | 410.5 | 2105.83 | 285 | 2554 |
455| 0 | 259 | True | 1231.5 | 2105.83 | 285 | 2981 |
456| 0 | 260 | True | 2052.5 | 2105.83 | 285 | 2491 |
457| 0 | 261 | True | 410.5 | 421.17 | 295 | 2500 |
458| 0 | 262 | True | 1231.5 | 421.17 | 295 | 2896 |
459| 0 | 263 | True | 2052.5 | 421.17 | 295 | 2464 |
460| 0 | 264 | True | 410.5 | 1263.5 | 295 | 3276 |
461| 0 | 265 | True | 1231.5 | 1263.5 | 295 | 3777 |
462| 0 | 266 | True | 2052.5 | 1263.5 | 295 | 3226 |
463| 0 | 267 | True | 410.5 | 2105.83 | 295 | 2564 |
464| 0 | 268 | True | 1231.5 | 2105.83 | 295 | 3014 |
465| 0 | 269 | True | 2052.5 | 2105.83 | 295 | 2533 |
466| 0 | 270 | True | 410.5 | 421.17 | 305 | 2467 |
467| 0 | 271 | True | 1231.5 | 421.17 | 305 | 2871 |
468| 0 | 272 | True | 2052.5 | 421.17 | 305 | 2456 |
469| 0 | 273 | True | 410.5 | 1263.5 | 305 | 3298 |
470| 0 | 274 | True | 1231.5 | 1263.5 | 305 | 3817 |
471| 0 | 275 | True | 2052.5 | 1263.5 | 305 | 3265 |
472| 0 | 276 | True | 410.5 | 2105.83 | 305 | 2621 |
473| 0 | 277 | True | 1231.5 | 2105.83 | 305 | 3088 |
474| 0 | 278 | True | 2052.5 | 2105.83 | 305 | 2605 |
475| 0 | 279 | True | 410.5 | 421.17 | 315 | 2452 |
476| 0 | 280 | True | 1231.5 | 421.17 | 315 | 2869 |
477| 0 | 281 | True | 2052.5 | 421.17 | 315 | 2457 |
478| 0 | 282 | True | 410.5 | 1263.5 | 315 | 3327 |
479| 0 | 283 | True | 1231.5 | 1263.5 | 315 | 3863 |
480| 0 | 284 | True | 2052.5 | 1263.5 | 315 | 3295 |
481| 0 | 285 | True | 410.5 | 2105.83 | 315 | 2662 |
482| 0 | 286 | True | 1231.5 | 2105.83 | 315 | 3135 |
483| 0 | 287 | True | 2052.5 | 2105.83 | 315 | 2631 |
484| 0 | 288 | True | 410.5 | 421.17 | 325 | 2408 |
485| 0 | 289 | True | 1231.5 | 421.17 | 325 | 2825 |
486| 0 | 290 | True | 2052.5 | 421.17 | 325 | 2436 |
487| 0 | 291 | True | 410.5 | 1263.5 | 325 | 3327 |
488| 0 | 292 | True | 1231.5 | 1263.5 | 325 | 3863 |
489| 0 | 293 | True | 2052.5 | 1263.5 | 325 | 3302 |
490| 0 | 294 | True | 410.5 | 2105.83 | 325 | 2680 |
491| 0 | 295 | True | 1231.5 | 2105.83 | 325 | 3148 |
492| 0 | 296 | True | 2052.5 | 2105.83 | 325 | 2642 |
493| 0 | 297 | True | 410.5 | 421.17 | 335 | 2358 |
494| 0 | 298 | True | 1231.5 | 421.17 | 335 | 2791 |
495| 0 | 299 | True | 2052.5 | 421.17 | 335 | 2420 |
496| 0 | 300 | True | 410.5 | 1263.5 | 335 | 3317 |
497| 0 | 301 | True | 1231.5 | 1263.5 | 335 | 3870 |
498| 0 | 302 | True | 2052.5 | 1263.5 | 335 | 3311 |
499| 0 | 303 | True | 410.5 | 2105.83 | 335 | 2676 |
500| 0 | 304 | True | 1231.5 | 2105.83 | 335 | 3148 |
501| 0 | 305 | True | 2052.5 | 2105.83 | 335 | 2633 |
502| 0 | 306 | True | 410.5 | 421.17 | 345 | 2357 |
503| 0 | 307 | True | 1231.5 | 421.17 | 345 | 2815 |
504| 0 | 308 | True | 2052.5 | 421.17 | 345 | 2461 |
505| 0 | 309 | True | 410.5 | 1263.5 | 345 | 3347 |
506| 0 | 310 | True | 1231.5 | 1263.5 | 345 | 3927 |
507| 0 | 311 | True | 2052.5 | 1263.5 | 345 | 3407 |
508| 0 | 312 | True | 410.5 | 2105.83 | 345 | 2697 |
509| 0 | 313 | True | 1231.5 | 2105.83 | 345 | 3188 |
510| 0 | 314 | True | 2052.5 | 2105.83 | 345 | 2708 |
511| 0 | 315 | True | 410.5 | 421.17 | 355 | 2403 |
512| 0 | 316 | True | 1231.5 | 421.17 | 355 | 2879 |
513| 0 | 317 | True | 2052.5 | 421.17 | 355 | 2546 |
514| 0 | 318 | True | 410.5 | 1263.5 | 355 | 3428 |
515| 0 | 319 | True | 1231.5 | 1263.5 | 355 | 4021 |
516| 0 | 320 | True | 2052.5 | 1263.5 | 355 | 3532 |
517| 0 | 321 | True | 410.5 | 2105.83 | 355 | 2722 |
518| 0 | 322 | True | 1231.5 | 2105.83 | 355 | 3218 |
519| 0 | 323 | True | 2052.5 | 2105.83 | 355 | 2766 |
520| 0 | 324 | True | 410.5 | 421.17 | 365 | 2434 |
521| 0 | 325 | True | 1231.5 | 421.17 | 365 | 2934 |
522| 0 | 326 | True | 2052.5 | 421.17 | 365 | 2618 |
523| 0 | 327 | True | 410.5 | 1263.5 | 365 | 3439 |
524| 0 | 328 | True | 1231.5 | 1263.5 | 365 | 4052 |
525| 0 | 329 | True | 2052.5 | 1263.5 | 365 | 3601 |
526| 0 | 330 | True | 410.5 | 2105.83 | 365 | 2681 |
527| 0 | 331 | True | 1231.5 | 2105.83 | 365 | 3182 |
528| 0 | 332 | True | 2052.5 | 2105.83 | 365 | 2766 |
529| 0 | 333 | True | 410.5 | 421.17 | 375 | 2460 |
530| 0 | 334 | True | 1231.5 | 421.17 | 375 | 2961 |
531| 0 | 335 | True | 2052.5 | 421.17 | 375 | 2657 |
532| 0 | 336 | True | 410.5 | 1263.5 | 375 | 3465 |
533| 0 | 337 | True | 1231.5 | 1263.5 | 375 | 4071 |
534| 0 | 338 | True | 2052.5 | 1263.5 | 375 | 3620 |
535| 0 | 339 | True | 410.5 | 2105.83 | 375 | 2650 |
536| 0 | 340 | True | 1231.5 | 2105.83 | 375 | 3132 |
537| 0 | 341 | True | 2052.5 | 2105.83 | 375 | 2723 |
538| 0 | 342 | True | 410.5 | 421.17 | 385 | 2472 |
539| 0 | 343 | True | 1231.5 | 421.17 | 385 | 2988 |
540| 0 | 344 | True | 2052.5 | 421.17 | 385 | 2688 |
541| 0 | 345 | True | 410.5 | 1263.5 | 385 | 3435 |
542| 0 | 346 | True | 1231.5 | 1263.5 | 385 | 4047 |
543| 0 | 347 | True | 2052.5 | 1263.5 | 385 | 3609 |
544| 0 | 348 | True | 410.5 | 2105.83 | 385 | 2558 |
545| 0 | 349 | True | 1231.5 | 2105.83 | 385 | 3033 |
546| 0 | 350 | True | 2052.5 | 2105.83 | 385 | 2646 |
547| 0 | 351 | True | 410.5 | 421.17 | 395 | 2519 |
548| 0 | 352 | True | 1231.5 | 421.17 | 395 | 3053 |
549| 0 | 353 | True | 2052.5 | 421.17 | 395 | 2744 |
550| 0 | 354 | True | 410.5 | 1263.5 | 395 | 3477 |
551| 0 | 355 | True | 1231.5 | 1263.5 | 395 | 4101 |
552| 0 | 356 | True | 2052.5 | 1263.5 | 395 | 3658 |
553| 0 | 357 | True | 410.5 | 2105.83 | 395 | 2529 |
554| 0 | 358 | True | 1231.5 | 2105.83 | 395 | 3000 |
555| 0 | 359 | True | 2052.5 | 2105.83 | 395 | 2622 |
556| 0 | 360 | True | 410.5 | 421.17 | 405 | 2552 |
557| 0 | 361 | True | 1231.5 | 421.17 | 405 | 3103 |
558| 0 | 362 | True | 2052.5 | 421.17 | 405 | 2802 |
559| 0 | 363 | True | 410.5 | 1263.5 | 405 | 3446 |
560| 0 | 364 | True | 1231.5 | 1263.5 | 405 | 4079 |
561| 0 | 365 | True | 2052.5 | 1263.5 | 405 | 3669 |
562| 0 | 366 | True | 410.5 | 2105.83 | 405 | 2420 |
563| 0 | 367 | True | 1231.5 | 2105.83 | 405 | 2883 |
564| 0 | 368 | True | 2052.5 | 2105.83 | 405 | 2540 |
565| 0 | 369 | True | 410.5 | 421.17 | 415 | 2593 |
566| 0 | 370 | True | 1231.5 | 421.17 | 415 | 3177 |
567| 0 | 371 | True | 2052.5 | 421.17 | 415 | 2881 |
568| 0 | 372 | True | 410.5 | 1263.5 | 415 | 3431 |
569| 0 | 373 | True | 1231.5 | 1263.5 | 415 | 4094 |
570| 0 | 374 | True | 2052.5 | 1263.5 | 415 | 3707 |
571| 0 | 375 | True | 410.5 | 2105.83 | 415 | 2356 |
572| 0 | 376 | True | 1231.5 | 2105.83 | 415 | 2812 |
573| 0 | 377 | True | 2052.5 | 2105.83 | 415 | 2507 |
574| 0 | 378 | True | 410.5 | 421.17 | 425 | 2638 |
575| 0 | 379 | True | 1231.5 | 421.17 | 425 | 3241 |
576| 0 | 380 | True | 2052.5 | 421.17 | 425 | 2949 |
577| 0 | 381 | True | 410.5 | 1263.5 | 425 | 3402 |
578| 0 | 382 | True | 1231.5 | 1263.5 | 425 | 4076 |
579| 0 | 383 | True | 2052.5 | 1263.5 | 425 | 3714 |
580| 0 | 384 | True | 410.5 | 2105.83 | 425 | 2269 |
581| 0 | 385 | True | 1231.5 | 2105.83 | 425 | 2703 |
582| 0 | 386 | True | 2052.5 | 2105.83 | 425 | 2439 |
583| 0 | 387 | True | 410.5 | 421.17 | 435 | 2673 |
584| 0 | 388 | True | 1231.5 | 421.17 | 435 | 3309 |
585| 0 | 389 | True | 2052.5 | 421.17 | 435 | 3013 |
586| 0 | 390 | True | 410.5 | 1263.5 | 435 | 3364 |
587| 0 | 391 | True | 1231.5 | 1263.5 | 435 | 4060 |
588| 0 | 392 | True | 2052.5 | 1263.5 | 435 | 3701 |
589| 0 | 393 | True | 410.5 | 2105.83 | 435 | 2191 |
590| 0 | 394 | True | 1231.5 | 2105.83 | 435 | 2606 |
591| 0 | 395 | True | 2052.5 | 2105.83 | 435 | 2355 |
592| 0 | 396 | True | 410.5 | 421.17 | 445 | 2710 |
593| 0 | 397 | True | 1231.5 | 421.17 | 445 | 3361 |
594| 0 | 398 | True | 2052.5 | 421.17 | 445 | 3042 |
595| 0 | 399 | True | 410.5 | 1263.5 | 445 | 3323 |
596| 0 | 400 | True | 1231.5 | 1263.5 | 445 | 4018 |
597| 0 | 401 | True | 2052.5 | 1263.5 | 445 | 3646 |
598| 0 | 402 | True | 410.5 | 2105.83 | 445 | 2111 |
599| 0 | 403 | True | 1231.5 | 2105.83 | 445 | 2504 |
600| 0 | 404 | True | 2052.5 | 2105.83 | 445 | 2250 |
601| 0 | 405 | True | 410.5 | 421.17 | 455 | 2803 |
602| 0 | 406 | True | 1231.5 | 421.17 | 455 | 3480 |
603| 0 | 407 | True | 2052.5 | 421.17 | 455 | 3152 |
604| 0 | 408 | True | 410.5 | 1263.5 | 455 | 3359 |
605| 0 | 409 | True | 1231.5 | 1263.5 | 455 | 4073 |
606| 0 | 410 | True | 2052.5 | 1263.5 | 455 | 3701 |
607| 0 | 411 | True | 410.5 | 2105.83 | 455 | 2085 |
608| 0 | 412 | True | 1231.5 | 2105.83 | 455 | 2468 |
609| 0 | 413 | True | 2052.5 | 2105.83 | 455 | 2223 |
610| 0 | 414 | True | 410.5 | 421.17 | 465 | 2874 |
611| 0 | 415 | True | 1231.5 | 421.17 | 465 | 3551 |
612| 0 | 416 | True | 2052.5 | 421.17 | 465 | 3204 |
613| 0 | 417 | True | 410.5 | 1263.5 | 465 | 3389 |
614| 0 | 418 | True | 1231.5 | 1263.5 | 465 | 4100 |
615| 0 | 419 | True | 2052.5 | 1263.5 | 465 | 3711 |
616| 0 | 420 | True | 410.5 | 2105.83 | 465 | 2049 |
617| 0 | 421 | True | 1231.5 | 2105.83 | 465 | 2430 |
618| 0 | 422 | True | 2052.5 | 2105.83 | 465 | 2186 |
619| 0 | 423 | True | 410.5 | 421.17 | 475 | 2890 |
620| 0 | 424 | True | 1231.5 | 421.17 | 475 | 3580 |
621| 0 | 425 | True | 2052.5 | 421.17 | 475 | 3232 |
622| 0 | 426 | True | 410.5 | 1263.5 | 475 | 3343 |
623| 0 | 427 | True | 1231.5 | 1263.5 | 475 | 4063 |
624| 0 | 428 | True | 2052.5 | 1263.5 | 475 | 3678 |
625| 0 | 429 | True | 410.5 | 2105.83 | 475 | 1999 |
626| 0 | 430 | True | 1231.5 | 2105.83 | 475 | 2381 |
627| 0 | 431 | True | 2052.5 | 2105.83 | 475 | 2147 |
628| 0 | 432 | True | 410.5 | 421.17 | 485 | 2828 |
629| 0 | 433 | True | 1231.5 | 421.17 | 485 | 3512 |
630| 0 | 434 | True | 2052.5 | 421.17 | 485 | 3164 |
631| 0 | 435 | True | 410.5 | 1263.5 | 485 | 3220 |
632| 0 | 436 | True | 1231.5 | 1263.5 | 485 | 3923 |
633| 0 | 437 | True | 2052.5 | 1263.5 | 485 | 3539 |
634| 0 | 438 | True | 410.5 | 2105.83 | 485 | 1940 |
635| 0 | 439 | True | 1231.5 | 2105.83 | 485 | 2311 |
636| 0 | 440 | True | 2052.5 | 2105.83 | 485 | 2077 |
637| 0 | 441 | True | 410.5 | 421.17 | 495 | 2759 |
638| 0 | 442 | True | 1231.5 | 421.17 | 495 | 3450 |
639| 0 | 443 | True | 2052.5 | 421.17 | 495 | 3109 |
640| 0 | 444 | True | 410.5 | 1263.5 | 495 | 3107 |
641| 0 | 445 | True | 1231.5 | 1263.5 | 495 | 3819 |
642| 0 | 446 | True | 2052.5 | 1263.5 | 495 | 3449 |
643| 0 | 447 | True | 410.5 | 2105.83 | 495 | 1900 |
644| 0 | 448 | True | 1231.5 | 2105.83 | 495 | 2278 |
645| 0 | 449 | True | 2052.5 | 2105.83 | 495 | 2049 |
646| 0 | 450 | True | 410.5 | 421.17 | 505 | 2766 |
647| 0 | 451 | True | 1231.5 | 421.17 | 505 | 3435 |
648| 0 | 452 | True | 2052.5 | 421.17 | 505 | 3100 |
649| 0 | 453 | True | 410.5 | 1263.5 | 505 | 3100 |
650| 0 | 454 | True | 1231.5 | 1263.5 | 505 | 3790 |
651| 0 | 455 | True | 2052.5 | 1263.5 | 505 | 3430 |
652| 0 | 456 | True | 410.5 | 2105.83 | 505 | 1932 |
653| 0 | 457 | True | 1231.5 | 2105.83 | 505 | 2308 |
654| 0 | 458 | True | 2052.5 | 2105.83 | 505 | 2069 |
655| 0 | 459 | True | 410.5 | 421.17 | 515 | 2701 |
656| 0 | 460 | True | 1231.5 | 421.17 | 515 | 3345 |
657| 0 | 461 | True | 2052.5 | 421.17 | 515 | 3023 |
658| 0 | 462 | True | 410.5 | 1263.5 | 515 | 3021 |
659| 0 | 463 | True | 1231.5 | 1263.5 | 515 | 3692 |
660| 0 | 464 | True | 2052.5 | 1263.5 | 515 | 3346 |
661| 0 | 465 | True | 410.5 | 2105.83 | 515 | 1914 |
662| 0 | 466 | True | 1231.5 | 2105.83 | 515 | 2301 |
663| 0 | 467 | True | 2052.5 | 2105.83 | 515 | 2053 |
664| 0 | 468 | True | 410.5 | 421.17 | 525 | 2683 |
665| 0 | 469 | True | 1231.5 | 421.17 | 525 | 3321 |
666| 0 | 470 | True | 2052.5 | 421.17 | 525 | 3011 |
667| 0 | 471 | True | 410.5 | 1263.5 | 525 | 2973 |
668| 0 | 472 | True | 1231.5 | 1263.5 | 525 | 3635 |
669| 0 | 473 | True | 2052.5 | 1263.5 | 525 | 3304 |
670| 0 | 474 | True | 410.5 | 2105.83 | 525 | 1897 |
671| 0 | 475 | True | 1231.5 | 2105.83 | 525 | 2288 |
672| 0 | 476 | True | 2052.5 | 2105.83 | 525 | 2039 |
673| 0 | 477 | True | 410.5 | 421.17 | 535 | 2598 |
674| 0 | 478 | True | 1231.5 | 421.17 | 535 | 3253 |
675| 0 | 479 | True | 2052.5 | 421.17 | 535 | 2952 |
676| 0 | 480 | True | 410.5 | 1263.5 | 535 | 2888 |
677| 0 | 481 | True | 1231.5 | 1263.5 | 535 | 3564 |
678| 0 | 482 | True | 2052.5 | 1263.5 | 535 | 3239 |
679| 0 | 483 | True | 410.5 | 2105.83 | 535 | 1890 |
680| 0 | 484 | True | 1231.5 | 2105.83 | 535 | 2295 |
681| 0 | 485 | True | 2052.5 | 2105.83 | 535 | 2044 |
682| 0 | 486 | True | 410.5 | 421.17 | 545 | 2590 |
683| 0 | 487 | True | 1231.5 | 421.17 | 545 | 3265 |
684| 0 | 488 | True | 2052.5 | 421.17 | 545 | 2972 |
685| 0 | 489 | True | 410.5 | 1263.5 | 545 | 2859 |
686| 0 | 490 | True | 1231.5 | 1263.5 | 545 | 3554 |
687| 0 | 491 | True | 2052.5 | 1263.5 | 545 | 3240 |
688| 0 | 492 | True | 410.5 | 2105.83 | 545 | 1887 |
689| 0 | 493 | True | 1231.5 | 2105.83 | 545 | 2306 |
690| 0 | 494 | True | 2052.5 | 2105.83 | 545 | 2066 |
691| 0 | 495 | True | 410.5 | 421.17 | 555 | 2529 |
692| 0 | 496 | True | 1231.5 | 421.17 | 555 | 3191 |
693| 0 | 497 | True | 2052.5 | 421.17 | 555 | 2907 |
694| 0 | 498 | True | 410.5 | 1263.5 | 555 | 2815 |
695| 0 | 499 | True | 1231.5 | 1263.5 | 555 | 3502 |
696| 0 | 500 | True | 2052.5 | 1263.5 | 555 | 3191 |
697| 0 | 501 | True | 410.5 | 2105.83 | 555 | 1934 |
698| 0 | 502 | True | 1231.5 | 2105.83 | 555 | 2371 |
699| 0 | 503 | True | 2052.5 | 2105.83 | 555 | 2127 |
700| 0 | 504 | True | 410.5 | 421.17 | 565 | 2459 |
701| 0 | 505 | True | 1231.5 | 421.17 | 565 | 3101 |
702| 0 | 506 | True | 2052.5 | 421.17 | 565 | 2819 |
703| 0 | 507 | True | 410.5 | 1263.5 | 565 | 2744 |
704| 0 | 508 | True | 1231.5 | 1263.5 | 565 | 3420 |
705| 0 | 509 | True | 2052.5 | 1263.5 | 565 | 3103 |
706| 0 | 510 | True | 410.5 | 2105.83 | 565 | 1920 |
707| 0 | 511 | True | 1231.5 | 2105.83 | 565 | 2374 |
708| 0 | 512 | True | 2052.5 | 2105.83 | 565 | 2115 |
709| 0 | 513 | True | 410.5 | 421.17 | 575 | 2434 |
710| 0 | 514 | True | 1231.5 | 421.17 | 575 | 3072 |
711| 0 | 515 | True | 2052.5 | 421.17 | 575 | 2793 |
712| 0 | 516 | True | 410.5 | 1263.5 | 575 | 2782 |
713| 0 | 517 | True | 1231.5 | 1263.5 | 575 | 3467 |
714| 0 | 518 | True | 2052.5 | 1263.5 | 575 | 3142 |
715| 0 | 519 | True | 410.5 | 2105.83 | 575 | 1986 |
716| 0 | 520 | True | 1231.5 | 2105.83 | 575 | 2479 |
717| 0 | 521 | True | 2052.5 | 2105.83 | 575 | 2211 |
718| 0 | 522 | True | 410.5 | 421.17 | 585 | 2395 |
719| 0 | 523 | True | 1231.5 | 421.17 | 585 | 3035 |
720| 0 | 524 | True | 2052.5 | 421.17 | 585 | 2758 |
721| 0 | 525 | True | 410.5 | 1263.5 | 585 | 2795 |
722| 0 | 526 | True | 1231.5 | 1263.5 | 585 | 3490 |
723| 0 | 527 | True | 2052.5 | 1263.5 | 585 | 3171 |
724| 0 | 528 | True | 410.5 | 2105.83 | 585 | 2020 |
725| 0 | 529 | True | 1231.5 | 2105.83 | 585 | 2533 |
726| 0 | 530 | True | 2052.5 | 2105.83 | 585 | 2269 |
727| 0 | 531 | True | 410.5 | 421.17 | 595 | 2435 |
728| 0 | 532 | True | 1231.5 | 421.17 | 595 | 3079 |
729| 0 | 533 | True | 2052.5 | 421.17 | 595 | 2817 |
730| 0 | 534 | True | 410.5 | 1263.5 | 595 | 2905 |
731| 0 | 535 | True | 1231.5 | 1263.5 | 595 | 3622 |
732| 0 | 536 | True | 2052.5 | 1263.5 | 595 | 3317 |
733| 0 | 537 | True | 410.5 | 2105.83 | 595 | 2123 |
734| 0 | 538 | True | 1231.5 | 2105.83 | 595 | 2664 |
735| 0 | 539 | True | 2052.5 | 2105.83 | 595 | 2412 |
736| 0 | 540 | True | 410.5 | 421.17 | 605 | 2426 |
737| 0 | 541 | True | 1231.5 | 421.17 | 605 | 3063 |
738| 0 | 542 | True | 2052.5 | 421.17 | 605 | 2795 |
739| 0 | 543 | True | 410.5 | 1263.5 | 605 | 2940 |
740| 0 | 544 | True | 1231.5 | 1263.5 | 605 | 3662 |
741| 0 | 545 | True | 2052.5 | 1263.5 | 605 | 3349 |
742| 0 | 546 | True | 410.5 | 2105.83 | 605 | 2185 |
743| 0 | 547 | True | 1231.5 | 2105.83 | 605 | 2730 |
744| 0 | 548 | True | 2052.5 | 2105.83 | 605 | 2462 |
745| 0 | 549 | True | 410.5 | 421.17 | 615 | 2479 |
746| 0 | 550 | True | 1231.5 | 421.17 | 615 | 3097 |
747| 0 | 551 | True | 2052.5 | 421.17 | 615 | 2800 |
748| 0 | 552 | True | 410.5 | 1263.5 | 615 | 3014 |
749| 0 | 553 | True | 1231.5 | 1263.5 | 615 | 3732 |
750| 0 | 554 | True | 2052.5 | 1263.5 | 615 | 3383 |
751| 0 | 555 | True | 410.5 | 2105.83 | 615 | 2260 |
752| 0 | 556 | True | 1231.5 | 2105.83 | 615 | 2811 |
753| 0 | 557 | True | 2052.5 | 2105.83 | 615 | 2516 |
754| 0 | 558 | True | 410.5 | 421.17 | 625 | 2427 |
755| 0 | 559 | True | 1231.5 | 421.17 | 625 | 3012 |
756| 0 | 560 | True | 2052.5 | 421.17 | 625 | 2700 |
757| 0 | 561 | True | 410.5 | 1263.5 | 625 | 2962 |
758| 0 | 562 | True | 1231.5 | 1263.5 | 625 | 3655 |
759| 0 | 563 | True | 2052.5 | 1263.5 | 625 | 3298 |
760| 0 | 564 | True | 410.5 | 2105.83 | 625 | 2263 |
761| 0 | 565 | True | 1231.5 | 2105.83 | 625 | 2818 |
762| 0 | 566 | True | 2052.5 | 2105.83 | 625 | 2517 |
763| 0 | 567 | True | 410.5 | 421.17 | 635 | 2349 |
764| 0 | 568 | True | 1231.5 | 421.17 | 635 | 2883 |
765| 0 | 569 | True | 2052.5 | 421.17 | 635 | 2577 |
766| 0 | 570 | True | 410.5 | 1263.5 | 635 | 2875 |
767| 0 | 571 | True | 1231.5 | 1263.5 | 635 | 3526 |
768| 0 | 572 | True | 2052.5 | 1263.5 | 635 | 3180 |
769| 0 | 573 | True | 410.5 | 2105.83 | 635 | 2243 |
770| 0 | 574 | True | 1231.5 | 2105.83 | 635 | 2790 |
771| 0 | 575 | True | 2052.5 | 2105.83 | 635 | 2492 |
772| 0 | 576 | True | 410.5 | 421.17 | 645 | 2282 |
773| 0 | 577 | True | 1231.5 | 421.17 | 645 | 2801 |
774| 0 | 578 | True | 2052.5 | 421.17 | 645 | 2503 |
775| 0 | 579 | True | 410.5 | 1263.5 | 645 | 2882 |
776| 0 | 580 | True | 1231.5 | 1263.5 | 645 | 3539 |
777| 0 | 581 | True | 2052.5 | 1263.5 | 645 | 3192 |
778| 0 | 582 | True | 410.5 | 2105.83 | 645 | 2315 |
779| 0 | 583 | True | 1231.5 | 2105.83 | 645 | 2882 |
780| 0 | 584 | True | 2052.5 | 2105.83 | 645 | 2571 |
781| 0 | 585 | True | 410.5 | 421.17 | 655 | 2302 |
782| 0 | 586 | True | 1231.5 | 421.17 | 655 | 2827 |
783| 0 | 587 | True | 2052.5 | 421.17 | 655 | 2508 |
784| 0 | 588 | True | 410.5 | 1263.5 | 655 | 2979 |
785| 0 | 589 | True | 1231.5 | 1263.5 | 655 | 3676 |
786| 0 | 590 | True | 2052.5 | 1263.5 | 655 | 3296 |
787| 0 | 591 | True | 410.5 | 2105.83 | 655 | 2411 |
788| 0 | 592 | True | 1231.5 | 2105.83 | 655 | 3018 |
789| 0 | 593 | True | 2052.5 | 2105.83 | 655 | 2671 |
790| 0 | 594 | True | 410.5 | 421.17 | 665 | 2347 |
791| 0 | 595 | True | 1231.5 | 421.17 | 665 | 2882 |
792| 0 | 596 | True | 2052.5 | 421.17 | 665 | 2551 |
793| 0 | 597 | True | 410.5 | 1263.5 | 665 | 3109 |
794| 0 | 598 | True | 1231.5 | 1263.5 | 665 | 3837 |
795| 0 | 599 | True | 2052.5 | 1263.5 | 665 | 3431 |
796| 0 | 600 | True | 410.5 | 2105.83 | 665 | 2551 |
797| 0 | 601 | True | 1231.5 | 2105.83 | 665 | 3180 |
798| 0 | 602 | True | 2052.5 | 2105.83 | 665 | 2807 |
799| 0 | 603 | True | 410.5 | 421.17 | 675 | 2344 |
800| 0 | 604 | True | 1231.5 | 421.17 | 675 | 2884 |
801| 0 | 605 | True | 2052.5 | 421.17 | 675 | 2559 |
802| 0 | 606 | True | 410.5 | 1263.5 | 675 | 3123 |
803| 0 | 607 | True | 1231.5 | 1263.5 | 675 | 3868 |
804| 0 | 608 | True | 2052.5 | 1263.5 | 675 | 3463 |
805| 0 | 609 | True | 410.5 | 2105.83 | 675 | 2570 |
806| 0 | 610 | True | 1231.5 | 2105.83 | 675 | 3216 |
807| 0 | 611 | True | 2052.5 | 2105.83 | 675 | 2845 |
808| 0 | 612 | True | 410.5 | 421.17 | 685 | 2333 |
809| 0 | 613 | True | 1231.5 | 421.17 | 685 | 2839 |
810| 0 | 614 | True | 2052.5 | 421.17 | 685 | 2524 |
811| 0 | 615 | True | 410.5 | 1263.5 | 685 | 3159 |
812| 0 | 616 | True | 1231.5 | 1263.5 | 685 | 3877 |
813| 0 | 617 | True | 2052.5 | 1263.5 | 685 | 3472 |
814| 0 | 618 | True | 410.5 | 2105.83 | 685 | 2615 |
815| 0 | 619 | True | 1231.5 | 2105.83 | 685 | 3242 |
816| 0 | 620 | True | 2052.5 | 2105.83 | 685 | 2877 |
817| 0 | 621 | True | 410.5 | 421.17 | 695 | 2333 |
818| 0 | 622 | True | 1231.5 | 421.17 | 695 | 2834 |
819| 0 | 623 | True | 2052.5 | 421.17 | 695 | 2503 |
820| 0 | 624 | True | 410.5 | 1263.5 | 695 | 3199 |
821| 0 | 625 | True | 1231.5 | 1263.5 | 695 | 3954 |
822| 0 | 626 | True | 2052.5 | 1263.5 | 695 | 3534 |
823| 0 | 627 | True | 410.5 | 2105.83 | 695 | 2626 |
824| 0 | 628 | True | 1231.5 | 2105.83 | 695 | 3293 |
825| 0 | 629 | True | 2052.5 | 2105.83 | 695 | 2923 |
826| 0 | 630 | True | 410.5 | 421.17 | 705 | 2344 |
827| 0 | 631 | True | 1231.5 | 421.17 | 705 | 2814 |
828| 0 | 632 | True | 2052.5 | 421.17 | 705 | 2482 |
829| 0 | 633 | True | 410.5 | 1263.5 | 705 | 3309 |
830| 0 | 634 | True | 1231.5 | 1263.5 | 705 | 4074 |
831| 0 | 635 | True | 2052.5 | 1263.5 | 705 | 3648 |
832| 0 | 636 | True | 410.5 | 2105.83 | 705 | 2700 |
833| 0 | 637 | True | 1231.5 | 2105.83 | 705 | 3386 |
834| 0 | 638 | True | 2052.5 | 2105.83 | 705 | 3014 |
835| 0 | 639 | True | 410.5 | 421.17 | 715 | 1566 |
836| 0 | 640 | True | 1231.5 | 421.17 | 715 | 1883 |
837| 0 | 641 | True | 2052.5 | 421.17 | 715 | 1661 |
838| 0 | 642 | True | 410.5 | 1263.5 | 715 | 2235 |
839| 0 | 643 | True | 1231.5 | 1263.5 | 715 | 2768 |
840| 0 | 644 | True | 2052.5 | 1263.5 | 715 | 2483 |
841| 0 | 645 | True | 410.5 | 2105.83 | 715 | 1818 |
842| 0 | 646 | True | 1231.5 | 2105.83 | 715 | 2294 |
843| 0 | 647 | True | 2052.5 | 2105.83 | 715 | 2045 |
844+------+-----------+-----------+----------+----------+----------+-----------------+
845
846
847Timing information for reference profile formation
848+-------------------+---------------+
849| Read time | 59.59 seconds |
850| Extract time | 0.71 seconds |
851| Pre-process time | 0.11 seconds |
852| Process time | 29.07 seconds |
853| Post-process time | 0.00 seconds |
854| Total time | 89.73 seconds |
855+-------------------+---------------+
856
857================================================================================
858
859Integrating reflections
860
861 Split 109 reflections overlapping job boundaries
862
863Memory situation report:
864 Available system memory : 201.2 GB
865 Maximum memory for processing : 181.1 GB
866 Memory required per process : 0.0 GB
867
868Processing reflections in the following blocks of images:
869
870 block_size: Auto
871
872+-----+---------+--------------+------------+--------------+------------+-----------------+
873| # | Group | Frame From | Frame To | Angle From | Angle To | # Reflections |
874|-----+---------+--------------+------------+--------------+------------+-----------------|
875| 0 | 0 | 1 | 183 | 0 | 91.5 | 93302 |
876| 1 | 0 | 181 | 363 | 90 | 181.5 | 91596 |
877| 2 | 0 | 361 | 543 | 180 | 271.5 | 91203 |
878| 3 | 0 | 541 | 720 | 270 | 360 | 92165 |
879+-----+---------+--------------+------------+--------------+------------+-----------------+
880
881 Using multiprocessing with 4 parallel job(s)
882
883
884 Frames: 0 -> 183
885
886 Number of reflections
887 Partial: 1209
888 Full: 92093
889 In ice ring: 0
890 Integrate: 93302
891 Total: 93302
892
893
894 Frames: 180 -> 363
895
896 Number of reflections
897 Partial: 40
898 Full: 91556
899 In ice ring: 0
900 Integrate: 91596
901 Total: 91596
902
903
904 Frames: 360 -> 543
905
906 Number of reflections
907 Partial: 50
908 Full: 91153
909 In ice ring: 0
910 Integrate: 91203
911 Total: 91203
912
913
914 Frames: 540 -> 720
915
916 Number of reflections
917 Partial: 1276
918 Full: 90889
919 In ice ring: 0
920 Integrate: 92165
921 Total: 92165
922
923
924 Summary vs image number
925+------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------+
926| ID | Image | # full | # part | # over | # ice | # sum | # prf | Ibg | I/sigI | I/sigI | CC prf | RMSD XY |
927| | | | | | | | | | (sum) | (prf) | | |
928|------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------|
929| 0 | 1 | 297 | 1177 | 0 | 0 | 1269 | 480 | 0.75 | 3.86 | 9.55 | 0.74 | 0.64 |
930| 0 | 2 | 475 | 14 | 0 | 0 | 419 | 431 | 0.73 | 7.05 | 7 | 0.72 | 0.43 |
931| 0 | 3 | 493 | 4 | 0 | 0 | 427 | 444 | 0.7 | 6.43 | 6.35 | 0.71 | 0.43 |
932| 0 | 4 | 508 | 1 | 0 | 0 | 426 | 444 | 0.69 | 7.34 | 7.1 | 0.72 | 0.43 |
933| 0 | 5 | 529 | 1 | 0 | 0 | 453 | 471 | 0.76 | 8.44 | 8.42 | 0.72 | 0.43 |
934| 0 | 6 | 508 | 1 | 0 | 0 | 442 | 454 | 0.65 | 6.62 | 6.48 | 0.72 | 0.45 |
935| 0 | 7 | 534 | 1 | 0 | 0 | 456 | 480 | 0.77 | 8.78 | 8.66 | 0.72 | 0.42 |
936| 0 | 8 | 550 | 0 | 0 | 0 | 460 | 480 | 0.74 | 7.71 | 7.68 | 0.72 | 0.43 |
937| 0 | 9 | 500 | 1 | 0 | 0 | 423 | 439 | 0.65 | 7.72 | 7.52 | 0.71 | 0.41 |
938| 0 | 10 | 481 | 0 | 0 | 0 | 409 | 428 | 0.68 | 8.71 | 8.36 | 0.72 | 0.44 |
939| 0 | 11 | 470 | 1 | 0 | 0 | 400 | 415 | 0.72 | 7.39 | 7.25 | 0.72 | 0.43 |
940| 0 | 12 | 518 | 0 | 0 | 0 | 444 | 456 | 0.73 | 7.87 | 7.75 | 0.73 | 0.43 |
941| 0 | 13 | 511 | 0 | 0 | 0 | 430 | 441 | 0.74 | 7.34 | 7.2 | 0.73 | 0.44 |
942| 0 | 14 | 503 | 0 | 0 | 0 | 435 | 455 | 0.75 | 8.99 | 8.79 | 0.72 | 0.42 |
943| 0 | 15 | 500 | 0 | 0 | 0 | 427 | 454 | 0.67 | 6.9 | 6.61 | 0.71 | 0.46 |
944| 0 | 16 | 519 | 0 | 0 | 0 | 444 | 464 | 0.69 | 6.9 | 6.83 | 0.72 | 0.46 |
945| 0 | 17 | 525 | 0 | 0 | 0 | 445 | 467 | 0.64 | 6.54 | 6.39 | 0.71 | 0.43 |
946| 0 | 18 | 513 | 0 | 0 | 0 | 436 | 454 | 0.73 | 6.92 | 6.83 | 0.72 | 0.41 |
947| 0 | 19 | 490 | 0 | 0 | 0 | 403 | 419 | 0.7 | 6.7 | 6.49 | 0.71 | 0.43 |
948| 0 | 20 | 531 | 0 | 0 | 0 | 455 | 473 | 0.7 | 7.69 | 7.5 | 0.71 | 0.43 |
949| 0 | 21 | 512 | 0 | 0 | 0 | 433 | 447 | 0.73 | 8.29 | 8.25 | 0.71 | 0.43 |
950| 0 | 22 | 515 | 0 | 0 | 0 | 439 | 463 | 0.74 | 7.49 | 7.32 | 0.72 | 0.43 |
951| 0 | 23 | 485 | 0 | 0 | 0 | 422 | 436 | 0.63 | 7.05 | 6.88 | 0.71 | 0.44 |
952| 0 | 24 | 498 | 0 | 0 | 0 | 414 | 434 | 0.68 | 7.53 | 7.3 | 0.72 | 0.44 |
953| 0 | 25 | 511 | 0 | 0 | 0 | 439 | 461 | 0.62 | 6.56 | 6.49 | 0.7 | 0.44 |
954| 0 | 26 | 536 | 0 | 0 | 0 | 469 | 482 | 0.68 | 7.75 | 7.67 | 0.71 | 0.44 |
955| 0 | 27 | 498 | 0 | 0 | 0 | 434 | 445 | 0.74 | 8.13 | 8.03 | 0.73 | 0.44 |
956| 0 | 28 | 505 | 0 | 0 | 0 | 432 | 449 | 0.68 | 7.47 | 7.31 | 0.71 | 0.43 |
957| 0 | 29 | 525 | 0 | 0 | 0 | 456 | 470 | 0.76 | 9.13 | 9.06 | 0.71 | 0.44 |
958| 0 | 30 | 495 | 0 | 0 | 0 | 427 | 440 | 0.72 | 7.34 | 7.22 | 0.71 | 0.45 |
959| 0 | 31 | 522 | 0 | 0 | 0 | 440 | 456 | 0.68 | 7.46 | 7.24 | 0.72 | 0.44 |
960| 0 | 32 | 540 | 0 | 0 | 0 | 445 | 475 | 0.74 | 7.97 | 7.7 | 0.72 | 0.43 |
961| 0 | 33 | 480 | 0 | 0 | 0 | 411 | 428 | 0.66 | 6.92 | 6.8 | 0.72 | 0.42 |
962| 0 | 34 | 517 | 0 | 0 | 0 | 448 | 468 | 0.66 | 6.69 | 6.6 | 0.72 | 0.43 |
963| 0 | 35 | 513 | 0 | 0 | 0 | 444 | 461 | 0.64 | 6.11 | 6 | 0.71 | 0.46 |
964| 0 | 36 | 480 | 0 | 0 | 0 | 411 | 428 | 0.65 | 7.23 | 7.48 | 0.72 | 0.45 |
965| 0 | 37 | 504 | 0 | 0 | 0 | 427 | 439 | 0.67 | 6.26 | 6.15 | 0.71 | 0.47 |
966| 0 | 38 | 516 | 0 | 0 | 0 | 424 | 452 | 0.66 | 6.59 | 6.47 | 0.72 | 0.45 |
967| 0 | 39 | 489 | 0 | 0 | 0 | 406 | 427 | 0.65 | 7.09 | 6.92 | 0.72 | 0.45 |
968| 0 | 40 | 533 | 0 | 0 | 0 | 465 | 486 | 0.74 | 7.81 | 7.63 | 0.72 | 0.45 |
969| 0 | 41 | 490 | 0 | 0 | 0 | 424 | 439 | 0.74 | 8.37 | 8.25 | 0.73 | 0.44 |
970| 0 | 42 | 524 | 0 | 0 | 0 | 437 | 463 | 0.73 | 7.08 | 6.95 | 0.72 | 0.41 |
971| 0 | 43 | 495 | 0 | 0 | 0 | 432 | 446 | 0.66 | 7.28 | 7.16 | 0.72 | 0.44 |
972| 0 | 44 | 500 | 0 | 0 | 0 | 416 | 438 | 0.68 | 7.41 | 7.24 | 0.72 | 0.44 |
973| 0 | 45 | 533 | 0 | 0 | 0 | 450 | 463 | 0.65 | 6.93 | 6.75 | 0.71 | 0.47 |
974| 0 | 46 | 477 | 0 | 0 | 0 | 415 | 428 | 0.68 | 7.82 | 7.76 | 0.71 | 0.45 |
975| 0 | 47 | 526 | 0 | 0 | 0 | 451 | 472 | 0.7 | 7.29 | 7.13 | 0.71 | 0.46 |
976| 0 | 48 | 489 | 0 | 0 | 0 | 423 | 437 | 0.71 | 7.73 | 7.61 | 0.72 | 0.42 |
977| 0 | 49 | 520 | 0 | 0 | 0 | 446 | 465 | 0.64 | 6.89 | 6.88 | 0.7 | 0.47 |
978| 0 | 50 | 510 | 0 | 0 | 0 | 440 | 455 | 0.71 | 7.78 | 7.62 | 0.73 | 0.41 |
979| 0 | 51 | 524 | 0 | 0 | 0 | 437 | 457 | 0.63 | 6.61 | 6.39 | 0.7 | 0.47 |
980| 0 | 52 | 494 | 0 | 0 | 0 | 423 | 441 | 0.68 | 7.83 | 7.75 | 0.73 | 0.41 |
981| 0 | 53 | 530 | 0 | 0 | 0 | 455 | 476 | 0.67 | 7.5 | 7.28 | 0.71 | 0.46 |
982| 0 | 54 | 495 | 0 | 0 | 0 | 417 | 436 | 0.7 | 7.77 | 7.75 | 0.74 | 0.41 |
983| 0 | 55 | 532 | 0 | 0 | 0 | 453 | 482 | 0.62 | 6.74 | 6.54 | 0.7 | 0.46 |
984| 0 | 56 | 489 | 0 | 0 | 0 | 412 | 425 | 0.71 | 6.87 | 7.01 | 0.72 | 0.44 |
985| 0 | 57 | 526 | 0 | 0 | 0 | 441 | 465 | 0.64 | 6.27 | 6.08 | 0.7 | 0.46 |
986| 0 | 58 | 491 | 0 | 0 | 0 | 434 | 444 | 0.7 | 7.65 | 7.57 | 0.73 | 0.42 |
987| 0 | 59 | 521 | 0 | 0 | 0 | 445 | 470 | 0.63 | 6.83 | 6.7 | 0.71 | 0.44 |
988| 0 | 60 | 488 | 0 | 0 | 0 | 399 | 421 | 0.71 | 7.94 | 7.69 | 0.72 | 0.42 |
989| 0 | 61 | 532 | 0 | 0 | 0 | 460 | 475 | 0.67 | 6.75 | 6.6 | 0.72 | 0.43 |
990| 0 | 62 | 472 | 0 | 0 | 0 | 406 | 422 | 0.65 | 6.51 | 6.49 | 0.72 | 0.45 |
991| 0 | 63 | 529 | 0 | 0 | 0 | 451 | 469 | 0.71 | 7.22 | 7.06 | 0.72 | 0.43 |
992| 0 | 64 | 502 | 0 | 0 | 0 | 417 | 435 | 0.68 | 7.8 | 7.59 | 0.72 | 0.46 |
993| 0 | 65 | 506 | 0 | 0 | 0 | 434 | 452 | 0.66 | 6.85 | 6.81 | 0.71 | 0.45 |
994| 0 | 66 | 525 | 0 | 0 | 0 | 447 | 466 | 0.69 | 7.59 | 7.5 | 0.73 | 0.46 |
995| 0 | 67 | 489 | 0 | 0 | 0 | 423 | 439 | 0.69 | 7.52 | 7.43 | 0.71 | 0.47 |
996| 0 | 68 | 519 | 0 | 0 | 0 | 441 | 459 | 0.68 | 7.87 | 7.65 | 0.73 | 0.42 |
997| 0 | 69 | 526 | 0 | 0 | 0 | 442 | 463 | 0.66 | 6.65 | 6.49 | 0.71 | 0.45 |
998| 0 | 70 | 471 | 0 | 0 | 0 | 405 | 419 | 0.67 | 7.17 | 6.95 | 0.72 | 0.45 |
999| 0 | 71 | 527 | 0 | 0 | 0 | 450 | 464 | 0.72 | 8.43 | 8.33 | 0.73 | 0.42 |
1000| 0 | 72 | 502 | 0 | 0 | 0 | 439 | 452 | 0.6 | 6.55 | 6.38 | 0.71 | 0.44 |
1001| 0 | 73 | 532 | 0 | 0 | 0 | 451 | 472 | 0.7 | 7.03 | 6.88 | 0.73 | 0.43 |
1002| 0 | 74 | 523 | 0 | 0 | 0 | 441 | 461 | 0.66 | 6.48 | 6.56 | 0.71 | 0.43 |
1003| 0 | 75 | 477 | 0 | 0 | 0 | 417 | 434 | 0.64 | 6.3 | 6.18 | 0.72 | 0.43 |
1004| 0 | 76 | 555 | 0 | 0 | 0 | 469 | 483 | 0.63 | 6.93 | 6.83 | 0.72 | 0.44 |
1005| 0 | 77 | 484 | 0 | 0 | 0 | 406 | 424 | 0.69 | 7.17 | 7.22 | 0.73 | 0.44 |
1006| 0 | 78 | 507 | 0 | 0 | 0 | 424 | 445 | 0.65 | 6.77 | 6.55 | 0.71 | 0.44 |
1007| 0 | 79 | 515 | 0 | 0 | 0 | 439 | 457 | 0.68 | 7.12 | 7.13 | 0.72 | 0.44 |
1008| 0 | 80 | 506 | 0 | 0 | 0 | 428 | 447 | 0.67 | 7.46 | 7.28 | 0.72 | 0.42 |
1009| 0 | 81 | 522 | 0 | 0 | 0 | 430 | 460 | 0.71 | 7.87 | 7.52 | 0.71 | 0.45 |
1010| 0 | 82 | 484 | 0 | 0 | 0 | 409 | 428 | 0.7 | 6.89 | 6.87 | 0.72 | 0.42 |
1011| 0 | 83 | 530 | 0 | 0 | 0 | 450 | 468 | 0.71 | 6.78 | 6.71 | 0.72 | 0.44 |
1012| 0 | 84 | 493 | 0 | 0 | 0 | 427 | 443 | 0.66 | 7.08 | 6.91 | 0.72 | 0.43 |
1013| 0 | 85 | 496 | 0 | 0 | 0 | 414 | 439 | 0.63 | 6.54 | 6.72 | 0.73 | 0.4 |
1014| 0 | 86 | 498 | 0 | 0 | 0 | 421 | 443 | 0.65 | 6.96 | 6.86 | 0.72 | 0.45 |
1015| 0 | 87 | 477 | 0 | 0 | 0 | 388 | 401 | 0.62 | 6.43 | 6.37 | 0.72 | 0.43 |
1016| 0 | 88 | 551 | 0 | 0 | 0 | 484 | 507 | 0.73 | 8.15 | 8.01 | 0.73 | 0.43 |
1017| 0 | 89 | 510 | 0 | 0 | 0 | 428 | 446 | 0.68 | 6.74 | 6.65 | 0.73 | 0.41 |
1018| 0 | 90 | 515 | 0 | 0 | 0 | 434 | 449 | 0.72 | 7.82 | 7.64 | 0.72 | 0.41 |
1019| 0 | 91 | 528 | 0 | 0 | 0 | 454 | 471 | 0.65 | 6.39 | 6.42 | 0.72 | 0.44 |
1020| 0 | 92 | 505 | 0 | 0 | 0 | 435 | 454 | 0.7 | 7.54 | 7.36 | 0.73 | 0.42 |
1021| 0 | 93 | 526 | 0 | 0 | 0 | 458 | 475 | 0.61 | 6.22 | 6.18 | 0.72 | 0.45 |
1022| 0 | 94 | 492 | 0 | 0 | 0 | 421 | 438 | 0.61 | 5.74 | 5.59 | 0.72 | 0.42 |
1023| 0 | 95 | 514 | 0 | 0 | 0 | 435 | 458 | 0.67 | 6.73 | 6.53 | 0.72 | 0.43 |
1024| 0 | 96 | 527 | 0 | 0 | 0 | 436 | 464 | 0.71 | 8.1 | 7.87 | 0.72 | 0.41 |
1025| 0 | 97 | 475 | 0 | 0 | 0 | 413 | 430 | 0.69 | 6.92 | 7.06 | 0.73 | 0.42 |
1026| 0 | 98 | 540 | 0 | 0 | 0 | 471 | 486 | 0.72 | 7.18 | 7.11 | 0.73 | 0.45 |
1027| 0 | 99 | 468 | 0 | 0 | 0 | 387 | 407 | 0.71 | 7.18 | 7.06 | 0.72 | 0.44 |
1028| 0 | 100 | 460 | 0 | 0 | 0 | 390 | 407 | 0.65 | 7.05 | 7.14 | 0.72 | 0.41 |
1029| 0 | 101 | 506 | 0 | 0 | 0 | 436 | 458 | 0.65 | 6.89 | 6.75 | 0.72 | 0.41 |
1030| 0 | 102 | 544 | 0 | 0 | 0 | 459 | 477 | 0.69 | 6.24 | 6.46 | 0.72 | 0.42 |
1031| 0 | 103 | 538 | 0 | 0 | 0 | 463 | 474 | 0.69 | 7.9 | 7.87 | 0.72 | 0.44 |
1032| 0 | 104 | 523 | 0 | 0 | 0 | 454 | 474 | 0.66 | 6.78 | 6.67 | 0.72 | 0.42 |
1033| 0 | 105 | 508 | 0 | 0 | 0 | 435 | 457 | 0.69 | 6.52 | 6.5 | 0.73 | 0.43 |
1034| 0 | 106 | 508 | 0 | 0 | 0 | 444 | 460 | 0.66 | 7.83 | 7.67 | 0.72 | 0.43 |
1035| 0 | 107 | 511 | 0 | 0 | 0 | 428 | 451 | 0.62 | 6.55 | 6.33 | 0.71 | 0.46 |
1036| 0 | 108 | 478 | 0 | 0 | 0 | 401 | 414 | 0.71 | 7.94 | 7.83 | 0.73 | 0.4 |
1037| 0 | 109 | 545 | 0 | 0 | 0 | 464 | 488 | 0.74 | 7.08 | 7.13 | 0.74 | 0.41 |
1038| 0 | 110 | 495 | 0 | 0 | 0 | 424 | 441 | 0.73 | 7.69 | 7.78 | 0.73 | 0.39 |
1039| 0 | 111 | 464 | 0 | 0 | 0 | 393 | 411 | 0.7 | 6.79 | 6.9 | 0.72 | 0.45 |
1040| 0 | 112 | 503 | 0 | 0 | 0 | 421 | 439 | 0.65 | 6.47 | 6.32 | 0.71 | 0.44 |
1041| 0 | 113 | 554 | 0 | 0 | 0 | 469 | 491 | 0.7 | 7.48 | 7.47 | 0.73 | 0.4 |
1042| 0 | 114 | 502 | 0 | 0 | 0 | 439 | 453 | 0.66 | 6.62 | 6.51 | 0.72 | 0.41 |
1043| 0 | 115 | 528 | 0 | 0 | 0 | 443 | 460 | 0.69 | 7.25 | 7.21 | 0.72 | 0.42 |
1044| 0 | 116 | 515 | 0 | 0 | 0 | 419 | 441 | 0.67 | 6.57 | 6.57 | 0.72 | 0.42 |
1045| 0 | 117 | 502 | 0 | 0 | 0 | 418 | 443 | 0.69 | 7.13 | 6.81 | 0.73 | 0.4 |
1046| 0 | 118 | 500 | 0 | 0 | 0 | 438 | 451 | 0.72 | 7.67 | 7.63 | 0.73 | 0.41 |
1047| 0 | 119 | 518 | 0 | 0 | 0 | 442 | 459 | 0.76 | 7.69 | 7.47 | 0.73 | 0.41 |
1048| 0 | 120 | 477 | 0 | 0 | 0 | 409 | 432 | 0.68 | 6.55 | 6.39 | 0.72 | 0.4 |
1049| 0 | 121 | 487 | 0 | 0 | 0 | 413 | 433 | 0.69 | 6.48 | 6.5 | 0.72 | 0.45 |
1050| 0 | 122 | 558 | 0 | 0 | 0 | 473 | 490 | 0.73 | 6.74 | 6.67 | 0.73 | 0.42 |
1051| 0 | 123 | 495 | 0 | 0 | 0 | 427 | 439 | 0.66 | 6.29 | 6.21 | 0.72 | 0.42 |
1052| 0 | 124 | 533 | 0 | 0 | 0 | 452 | 472 | 0.68 | 6.7 | 6.57 | 0.71 | 0.42 |
1053| 0 | 125 | 510 | 0 | 0 | 0 | 444 | 456 | 0.74 | 7.1 | 7.04 | 0.73 | 0.45 |
1054| 0 | 126 | 508 | 0 | 0 | 0 | 432 | 456 | 0.76 | 7.79 | 7.78 | 0.75 | 0.41 |
1055| 0 | 127 | 519 | 0 | 0 | 0 | 446 | 463 | 0.66 | 6.02 | 5.89 | 0.73 | 0.43 |
1056| 0 | 128 | 466 | 0 | 0 | 0 | 400 | 414 | 0.7 | 6.87 | 6.71 | 0.72 | 0.44 |
1057| 0 | 129 | 504 | 0 | 0 | 0 | 421 | 440 | 0.71 | 6.94 | 6.86 | 0.72 | 0.44 |
1058| 0 | 130 | 502 | 0 | 0 | 0 | 415 | 431 | 0.71 | 5.98 | 5.98 | 0.73 | 0.42 |
1059| 0 | 131 | 531 | 0 | 0 | 0 | 452 | 469 | 0.72 | 7.02 | 7.05 | 0.73 | 0.41 |
1060| 0 | 132 | 531 | 0 | 0 | 0 | 453 | 473 | 0.69 | 6.72 | 6.73 | 0.71 | 0.45 |
1061| 0 | 133 | 504 | 0 | 0 | 0 | 425 | 446 | 0.81 | 8.57 | 8.41 | 0.74 | 0.38 |
1062| 0 | 134 | 504 | 0 | 0 | 0 | 428 | 450 | 0.68 | 6.51 | 6.31 | 0.72 | 0.44 |
1063| 0 | 135 | 511 | 0 | 0 | 0 | 426 | 446 | 0.72 | 7.33 | 7.21 | 0.73 | 0.41 |
1064| 0 | 136 | 486 | 0 | 0 | 0 | 412 | 430 | 0.74 | 7.12 | 7.14 | 0.72 | 0.44 |
1065| 0 | 137 | 530 | 0 | 0 | 0 | 462 | 480 | 0.71 | 5.97 | 5.8 | 0.72 | 0.44 |
1066| 0 | 138 | 496 | 0 | 0 | 0 | 421 | 447 | 0.74 | 7.68 | 7.52 | 0.73 | 0.42 |
1067| 0 | 139 | 511 | 0 | 0 | 0 | 446 | 460 | 0.7 | 6.06 | 6.1 | 0.72 | 0.43 |
1068| 0 | 140 | 533 | 0 | 0 | 0 | 444 | 470 | 0.69 | 6.48 | 6.43 | 0.72 | 0.46 |
1069| 0 | 141 | 509 | 0 | 0 | 0 | 437 | 463 | 0.78 | 7.41 | 7.31 | 0.74 | 0.43 |
1070| 0 | 142 | 501 | 0 | 0 | 0 | 430 | 451 | 0.73 | 6.64 | 6.71 | 0.73 | 0.44 |
1071| 0 | 143 | 485 | 0 | 0 | 0 | 403 | 415 | 0.73 | 6.64 | 6.67 | 0.72 | 0.43 |
1072| 0 | 144 | 488 | 0 | 0 | 0 | 418 | 433 | 0.77 | 7.09 | 6.98 | 0.74 | 0.39 |
1073| 0 | 145 | 548 | 0 | 0 | 0 | 451 | 477 | 0.72 | 6.78 | 6.84 | 0.72 | 0.44 |
1074| 0 | 146 | 507 | 0 | 0 | 0 | 439 | 456 | 0.76 | 8.63 | 8.45 | 0.72 | 0.41 |
1075| 0 | 147 | 507 | 0 | 0 | 0 | 432 | 457 | 0.74 | 6.99 | 6.86 | 0.73 | 0.41 |
1076| 0 | 148 | 534 | 0 | 0 | 0 | 450 | 463 | 0.81 | 8.78 | 8.74 | 0.74 | 0.43 |
1077| 0 | 149 | 505 | 2 | 0 | 0 | 439 | 450 | 0.76 | 7.62 | 7.57 | 0.73 | 0.43 |
1078| 0 | 150 | 494 | 0 | 0 | 0 | 416 | 437 | 0.77 | 6.92 | 6.77 | 0.73 | 0.42 |
1079| 0 | 151 | 491 | 2 | 0 | 0 | 424 | 440 | 0.71 | 6.55 | 6.38 | 0.72 | 0.45 |
1080| 0 | 152 | 514 | 0 | 0 | 0 | 457 | 472 | 0.7 | 5.97 | 5.89 | 0.72 | 0.44 |
1081| 0 | 153 | 515 | 0 | 0 | 0 | 432 | 443 | 0.79 | 7.12 | 7.11 | 0.72 | 0.43 |
1082| 0 | 154 | 544 | 0 | 0 | 0 | 455 | 469 | 0.76 | 6.62 | 6.74 | 0.73 | 0.42 |
1083| 0 | 155 | 490 | 0 | 0 | 0 | 424 | 439 | 0.78 | 7.52 | 7.44 | 0.74 | 0.41 |
1084| 0 | 156 | 485 | 2 | 0 | 0 | 420 | 437 | 0.77 | 7.09 | 7.03 | 0.72 | 0.43 |
1085| 0 | 157 | 512 | 0 | 0 | 0 | 418 | 437 | 0.79 | 7.47 | 7.31 | 0.74 | 0.4 |
1086| 0 | 158 | 515 | 0 | 0 | 0 | 446 | 469 | 0.82 | 8.06 | 8.04 | 0.73 | 0.41 |
1087| 0 | 159 | 527 | 0 | 0 | 0 | 452 | 471 | 0.76 | 7.03 | 6.88 | 0.72 | 0.44 |
1088| 0 | 160 | 510 | 0 | 0 | 0 | 419 | 439 | 0.79 | 7.31 | 7.29 | 0.72 | 0.44 |
1089| 0 | 161 | 505 | 0 | 0 | 0 | 424 | 445 | 0.77 | 6.54 | 6.5 | 0.73 | 0.42 |
1090| 0 | 162 | 501 | 0 | 0 | 0 | 424 | 442 | 0.78 | 6.89 | 6.9 | 0.74 | 0.41 |
1091| 0 | 163 | 486 | 0 | 0 | 0 | 415 | 434 | 0.78 | 7.05 | 6.91 | 0.73 | 0.42 |
1092| 0 | 164 | 530 | 0 | 0 | 0 | 448 | 470 | 0.8 | 6.37 | 6.19 | 0.73 | 0.43 |
1093| 0 | 165 | 520 | 0 | 0 | 0 | 457 | 473 | 0.79 | 6.88 | 6.78 | 0.73 | 0.41 |
1094| 0 | 166 | 524 | 0 | 0 | 0 | 443 | 463 | 0.82 | 7.2 | 7.36 | 0.74 | 0.44 |
1095| 0 | 167 | 483 | 4 | 0 | 0 | 428 | 438 | 0.74 | 6.31 | 6.27 | 0.73 | 0.42 |
1096| 0 | 168 | 495 | 0 | 0 | 0 | 416 | 432 | 0.85 | 6.95 | 6.82 | 0.74 | 0.42 |
1097| 0 | 169 | 516 | 0 | 0 | 0 | 442 | 453 | 0.84 | 7.38 | 7.61 | 0.74 | 0.43 |
1098| 0 | 170 | 511 | 0 | 0 | 0 | 436 | 456 | 0.74 | 6.43 | 6.42 | 0.71 | 0.45 |
1099| 0 | 171 | 522 | 0 | 0 | 0 | 446 | 462 | 0.85 | 6.91 | 6.91 | 0.74 | 0.4 |
1100| 0 | 172 | 505 | 0 | 0 | 0 | 435 | 454 | 0.86 | 7.82 | 7.75 | 0.75 | 0.4 |
1101| 0 | 173 | 517 | 0 | 0 | 0 | 436 | 455 | 0.82 | 6.65 | 6.59 | 0.73 | 0.43 |
1102| 0 | 174 | 482 | 0 | 0 | 0 | 412 | 423 | 0.87 | 7.65 | 7.68 | 0.75 | 0.39 |
1103| 0 | 175 | 513 | 2 | 0 | 0 | 433 | 452 | 0.8 | 6.48 | 6.97 | 0.73 | 0.41 |
1104| 0 | 176 | 511 | 2 | 0 | 0 | 439 | 456 | 0.9 | 8.06 | 7.97 | 0.74 | 0.39 |
1105| 0 | 177 | 503 | 2 | 0 | 0 | 430 | 443 | 0.78 | 6.37 | 6.34 | 0.73 | 0.44 |
1106| 0 | 178 | 510 | 0 | 0 | 0 | 441 | 456 | 0.82 | 7.19 | 7.03 | 0.74 | 0.41 |
1107| 0 | 179 | 511 | 0 | 0 | 0 | 438 | 450 | 0.84 | 7.63 | 7.57 | 0.73 | 0.43 |
1108| 0 | 180 | 497 | 0 | 0 | 0 | 423 | 440 | 0.88 | 6.86 | 6.75 | 0.74 | 0.43 |
1109| 0 | 181 | 507 | 7 | 0 | 0 | 437 | 456 | 0.91 | 7.12 | 7.21 | 0.74 | 0.39 |
1110| 0 | 182 | 526 | 22 | 0 | 0 | 458 | 479 | 0.85 | 7.11 | 7.08 | 0.74 | 0.41 |
1111| 0 | 183 | 487 | 4 | 0 | 0 | 423 | 435 | 0.79 | 6.42 | 6.4 | 0.73 | 0.43 |
1112| 0 | 184 | 500 | 2 | 0 | 0 | 428 | 438 | 0.89 | 6.81 | 6.77 | 0.75 | 0.41 |
1113| 0 | 185 | 531 | 6 | 0 | 0 | 452 | 468 | 0.89 | 6.82 | 6.72 | 0.74 | 0.4 |
1114| 0 | 186 | 483 | 2 | 0 | 0 | 400 | 426 | 0.9 | 6.94 | 6.81 | 0.73 | 0.43 |
1115| 0 | 187 | 532 | 0 | 0 | 0 | 456 | 471 | 0.81 | 5.94 | 6.09 | 0.74 | 0.41 |
1116| 0 | 188 | 467 | 2 | 0 | 0 | 399 | 419 | 0.87 | 6.61 | 6.62 | 0.73 | 0.41 |
1117| 0 | 189 | 531 | 0 | 0 | 0 | 449 | 467 | 0.92 | 7.79 | 7.75 | 0.75 | 0.4 |
1118| 0 | 190 | 515 | 0 | 0 | 0 | 427 | 450 | 0.92 | 8.23 | 8.25 | 0.74 | 0.42 |
1119| 0 | 191 | 492 | 0 | 0 | 0 | 431 | 446 | 0.97 | 7.01 | 7.13 | 0.74 | 0.41 |
1120| 0 | 192 | 546 | 2 | 0 | 0 | 464 | 486 | 0.91 | 7.17 | 7.11 | 0.75 | 0.43 |
1121| 0 | 193 | 490 | 0 | 0 | 0 | 419 | 430 | 0.87 | 6.53 | 6.45 | 0.75 | 0.39 |
1122| 0 | 194 | 502 | 0 | 0 | 0 | 420 | 443 | 0.88 | 7.04 | 6.77 | 0.75 | 0.4 |
1123| 0 | 195 | 518 | 0 | 0 | 0 | 444 | 464 | 0.99 | 7.89 | 7.76 | 0.76 | 0.42 |
1124| 0 | 196 | 517 | 0 | 0 | 0 | 450 | 466 | 1.01 | 8.43 | 8.4 | 0.75 | 0.41 |
1125| 0 | 197 | 493 | 0 | 0 | 0 | 423 | 438 | 1.02 | 8.38 | 8.3 | 0.75 | 0.42 |
1126| 0 | 198 | 503 | 0 | 0 | 0 | 416 | 444 | 0.85 | 6.65 | 6.55 | 0.74 | 0.44 |
1127| 0 | 199 | 523 | 2 | 0 | 0 | 448 | 468 | 0.94 | 6.92 | 7.12 | 0.75 | 0.42 |
1128| 0 | 200 | 497 | 0 | 0 | 0 | 423 | 439 | 0.97 | 7.76 | 7.68 | 0.75 | 0.41 |
1129| 0 | 201 | 504 | 0 | 0 | 0 | 431 | 451 | 0.92 | 6.15 | 6.12 | 0.75 | 0.4 |
1130| 0 | 202 | 532 | 0 | 0 | 0 | 465 | 481 | 1.01 | 7.59 | 7.5 | 0.76 | 0.39 |
1131| 0 | 203 | 504 | 0 | 0 | 0 | 420 | 435 | 1.03 | 7.86 | 7.79 | 0.75 | 0.39 |
1132| 0 | 204 | 518 | 0 | 0 | 0 | 437 | 461 | 0.99 | 7.43 | 7.47 | 0.75 | 0.42 |
1133| 0 | 205 | 483 | 0 | 0 | 0 | 417 | 435 | 0.96 | 6.92 | 6.66 | 0.75 | 0.39 |
1134| 0 | 206 | 531 | 0 | 0 | 0 | 455 | 478 | 0.95 | 6.57 | 6.4 | 0.76 | 0.4 |
1135| 0 | 207 | 484 | 0 | 0 | 0 | 420 | 433 | 1.02 | 7.68 | 7.46 | 0.76 | 0.39 |
1136| 0 | 208 | 518 | 0 | 0 | 0 | 442 | 460 | 1.03 | 7.51 | 7.29 | 0.76 | 0.41 |
1137| 0 | 209 | 505 | 0 | 0 | 0 | 423 | 439 | 1 | 7.68 | 7.45 | 0.76 | 0.4 |
1138| 0 | 210 | 517 | 0 | 0 | 0 | 437 | 455 | 1.14 | 8.62 | 8.43 | 0.77 | 0.4 |
1139| 0 | 211 | 502 | 0 | 0 | 0 | 431 | 442 | 1.03 | 6.57 | 6.47 | 0.76 | 0.41 |
1140| 0 | 212 | 515 | 0 | 0 | 0 | 443 | 459 | 1.02 | 6.72 | 6.81 | 0.76 | 0.41 |
1141| 0 | 213 | 515 | 0 | 0 | 0 | 437 | 455 | 1.12 | 7.76 | 7.57 | 0.77 | 0.42 |
1142| 0 | 214 | 487 | 0 | 0 | 0 | 409 | 429 | 0.98 | 6.34 | 6.21 | 0.75 | 0.42 |
1143| 0 | 215 | 501 | 0 | 0 | 0 | 434 | 448 | 1.15 | 7.77 | 7.73 | 0.76 | 0.4 |
1144| 0 | 216 | 522 | 0 | 0 | 0 | 447 | 466 | 1.07 | 7.2 | 7.13 | 0.77 | 0.42 |
1145| 0 | 217 | 512 | 0 | 0 | 0 | 442 | 459 | 1.13 | 7.18 | 7.68 | 0.77 | 0.42 |
1146| 0 | 218 | 498 | 0 | 0 | 0 | 417 | 436 | 1.08 | 7.1 | 6.96 | 0.76 | 0.39 |
1147| 0 | 219 | 533 | 0 | 0 | 0 | 467 | 483 | 1.11 | 6.35 | 6.25 | 0.77 | 0.38 |
1148| 0 | 220 | 500 | 0 | 0 | 0 | 414 | 438 | 1.14 | 7.55 | 7.72 | 0.77 | 0.4 |
1149| 0 | 221 | 524 | 0 | 0 | 0 | 454 | 475 | 1.13 | 7.01 | 6.92 | 0.77 | 0.4 |
1150| 0 | 222 | 493 | 0 | 0 | 0 | 411 | 433 | 1.22 | 8.55 | 8.3 | 0.77 | 0.4 |
1151| 0 | 223 | 510 | 0 | 0 | 0 | 448 | 460 | 1.17 | 7.64 | 7.5 | 0.78 | 0.41 |
1152| 0 | 224 | 515 | 0 | 0 | 0 | 428 | 451 | 1.2 | 7.59 | 7.63 | 0.77 | 0.4 |
1153| 0 | 225 | 504 | 0 | 0 | 0 | 446 | 454 | 1.27 | 6.87 | 6.81 | 0.78 | 0.39 |
1154| 0 | 226 | 502 | 0 | 0 | 0 | 412 | 438 | 1.14 | 6.31 | 6.36 | 0.77 | 0.41 |
1155| 0 | 227 | 496 | 0 | 0 | 0 | 419 | 445 | 1.28 | 7.78 | 7.62 | 0.78 | 0.38 |
1156| 0 | 228 | 525 | 0 | 0 | 0 | 451 | 464 | 1.24 | 8.64 | 8.56 | 0.78 | 0.39 |
1157| 0 | 229 | 506 | 0 | 0 | 0 | 452 | 464 | 1.28 | 8.21 | 8.1 | 0.78 | 0.41 |
1158| 0 | 230 | 510 | 0 | 0 | 0 | 450 | 470 | 1.25 | 7.31 | 7.21 | 0.78 | 0.39 |
1159| 0 | 231 | 515 | 0 | 0 | 0 | 427 | 448 | 1.3 | 7.59 | 7.33 | 0.79 | 0.4 |
1160| 0 | 232 | 498 | 0 | 0 | 0 | 419 | 443 | 1.28 | 7.56 | 7.29 | 0.79 | 0.4 |
1161| 0 | 233 | 507 | 0 | 0 | 0 | 429 | 446 | 1.32 | 7.46 | 7.48 | 0.78 | 0.41 |
1162| 0 | 234 | 509 | 0 | 0 | 0 | 431 | 450 | 1.29 | 8.18 | 8.15 | 0.79 | 0.39 |
1163| 0 | 235 | 535 | 0 | 0 | 0 | 450 | 467 | 1.33 | 7.11 | 7.01 | 0.78 | 0.41 |
1164| 0 | 236 | 499 | 0 | 0 | 0 | 428 | 446 | 1.26 | 6.55 | 6.55 | 0.78 | 0.42 |
1165| 0 | 237 | 493 | 0 | 0 | 0 | 429 | 449 | 1.45 | 9.61 | 9.52 | 0.79 | 0.4 |
1166| 0 | 238 | 496 | 0 | 0 | 0 | 423 | 441 | 1.43 | 8.95 | 8.91 | 0.79 | 0.38 |
1167| 0 | 239 | 506 | 0 | 0 | 0 | 433 | 452 | 1.31 | 5.99 | 5.99 | 0.79 | 0.38 |
1168| 0 | 240 | 534 | 0 | 0 | 0 | 462 | 479 | 1.33 | 8.23 | 8.12 | 0.79 | 0.39 |
1169| 0 | 241 | 526 | 0 | 0 | 0 | 448 | 473 | 1.45 | 9.04 | 8.78 | 0.79 | 0.39 |
1170| 0 | 242 | 486 | 0 | 0 | 0 | 411 | 429 | 1.33 | 7.98 | 7.8 | 0.79 | 0.39 |
1171| 0 | 243 | 505 | 0 | 0 | 0 | 432 | 453 | 1.46 | 8.65 | 8.62 | 0.8 | 0.38 |
1172| 0 | 244 | 532 | 0 | 0 | 0 | 445 | 458 | 1.36 | 7.53 | 7.33 | 0.79 | 0.4 |
1173| 0 | 245 | 491 | 0 | 0 | 0 | 426 | 438 | 1.44 | 6.72 | 6.74 | 0.8 | 0.38 |
1174| 0 | 246 | 534 | 0 | 0 | 0 | 443 | 465 | 1.38 | 7.13 | 7.07 | 0.79 | 0.39 |
1175| 0 | 247 | 495 | 0 | 0 | 0 | 411 | 433 | 1.4 | 8.29 | 8.2 | 0.79 | 0.39 |
1176| 0 | 248 | 513 | 0 | 0 | 0 | 437 | 449 | 1.36 | 7.88 | 7.74 | 0.8 | 0.39 |
1177| 0 | 249 | 523 | 0 | 0 | 0 | 440 | 464 | 1.52 | 8.81 | 8.7 | 0.8 | 0.38 |
1178| 0 | 250 | 505 | 0 | 0 | 0 | 434 | 452 | 1.37 | 8.33 | 8.06 | 0.79 | 0.4 |
1179| 0 | 251 | 511 | 0 | 0 | 0 | 437 | 453 | 1.41 | 7.83 | 7.66 | 0.8 | 0.4 |
1180| 0 | 252 | 499 | 0 | 0 | 0 | 417 | 438 | 1.38 | 7.04 | 6.98 | 0.8 | 0.38 |
1181| 0 | 253 | 491 | 0 | 0 | 0 | 415 | 438 | 1.35 | 7.18 | 7.01 | 0.79 | 0.38 |
1182| 0 | 254 | 523 | 0 | 0 | 0 | 449 | 467 | 1.44 | 8.05 | 8 | 0.79 | 0.38 |
1183| 0 | 255 | 478 | 0 | 0 | 0 | 406 | 424 | 1.37 | 7.12 | 7.05 | 0.79 | 0.39 |
1184| 0 | 256 | 540 | 0 | 0 | 0 | 447 | 462 | 1.37 | 7.71 | 7.59 | 0.79 | 0.38 |
1185| 0 | 257 | 516 | 0 | 0 | 0 | 442 | 462 | 1.42 | 9.17 | 8.87 | 0.79 | 0.37 |
1186| 0 | 258 | 502 | 0 | 0 | 0 | 432 | 447 | 1.28 | 6.24 | 6.21 | 0.79 | 0.38 |
1187| 0 | 259 | 544 | 0 | 0 | 0 | 461 | 481 | 1.38 | 8.29 | 8.04 | 0.79 | 0.39 |
1188| 0 | 260 | 492 | 0 | 0 | 0 | 417 | 438 | 1.33 | 7.53 | 7.43 | 0.78 | 0.41 |
1189| 0 | 261 | 484 | 0 | 0 | 0 | 419 | 441 | 1.34 | 7.69 | 7.66 | 0.79 | 0.39 |
1190| 0 | 262 | 515 | 0 | 0 | 0 | 429 | 446 | 1.27 | 6.56 | 6.45 | 0.79 | 0.39 |
1191| 0 | 263 | 522 | 0 | 0 | 0 | 437 | 453 | 1.27 | 6.95 | 6.79 | 0.78 | 0.4 |
1192| 0 | 264 | 487 | 0 | 0 | 0 | 399 | 425 | 1.3 | 8.89 | 8.73 | 0.78 | 0.39 |
1193| 0 | 265 | 509 | 0 | 0 | 0 | 443 | 461 | 1.16 | 7.6 | 7.65 | 0.78 | 0.39 |
1194| 0 | 266 | 511 | 0 | 0 | 0 | 439 | 457 | 1.35 | 7.61 | 7.39 | 0.79 | 0.39 |
1195| 0 | 267 | 511 | 0 | 0 | 0 | 439 | 461 | 1.32 | 7.77 | 7.81 | 0.79 | 0.37 |
1196| 0 | 268 | 558 | 0 | 0 | 0 | 482 | 497 | 1.27 | 9.28 | 9.05 | 0.78 | 0.38 |
1197| 0 | 269 | 496 | 0 | 0 | 0 | 411 | 432 | 1.24 | 8.42 | 8.1 | 0.78 | 0.4 |
1198| 0 | 270 | 515 | 0 | 0 | 0 | 438 | 453 | 1.3 | 7.89 | 7.78 | 0.79 | 0.39 |
1199| 0 | 271 | 516 | 0 | 0 | 0 | 444 | 464 | 1.07 | 6.64 | 6.51 | 0.78 | 0.39 |
1200| 0 | 272 | 503 | 0 | 0 | 0 | 429 | 448 | 1.16 | 8.31 | 8.15 | 0.78 | 0.4 |
1201| 0 | 273 | 472 | 0 | 0 | 0 | 401 | 422 | 1.13 | 7.71 | 7.5 | 0.77 | 0.41 |
1202| 0 | 274 | 539 | 0 | 0 | 0 | 461 | 474 | 1.24 | 8.99 | 8.98 | 0.78 | 0.4 |
1203| 0 | 275 | 487 | 0 | 0 | 0 | 407 | 432 | 1.21 | 9.1 | 8.78 | 0.78 | 0.39 |
1204| 0 | 276 | 510 | 0 | 0 | 0 | 432 | 454 | 1.1 | 7.57 | 7.35 | 0.76 | 0.39 |
1205| 0 | 277 | 521 | 0 | 0 | 0 | 452 | 465 | 1.08 | 7.52 | 7.36 | 0.76 | 0.41 |
1206| 0 | 278 | 494 | 0 | 0 | 0 | 400 | 422 | 1.06 | 7.7 | 7.59 | 0.77 | 0.42 |
1207| 0 | 279 | 539 | 0 | 0 | 0 | 467 | 485 | 1.09 | 7.38 | 7.25 | 0.76 | 0.39 |
1208| 0 | 280 | 503 | 0 | 0 | 0 | 435 | 447 | 1.24 | 8.78 | 8.71 | 0.78 | 0.39 |
1209| 0 | 281 | 486 | 0 | 0 | 0 | 430 | 445 | 1.02 | 7.21 | 7.23 | 0.76 | 0.42 |
1210| 0 | 282 | 514 | 0 | 0 | 0 | 436 | 451 | 1.02 | 7.75 | 7.56 | 0.76 | 0.4 |
1211| 0 | 283 | 509 | 0 | 0 | 0 | 426 | 447 | 1.05 | 7.14 | 7.03 | 0.76 | 0.41 |
1212| 0 | 284 | 522 | 0 | 0 | 0 | 461 | 473 | 1.06 | 6.56 | 6.63 | 0.76 | 0.4 |
1213| 0 | 285 | 500 | 0 | 0 | 0 | 424 | 441 | 1.11 | 7.37 | 7.34 | 0.77 | 0.4 |
1214| 0 | 286 | 505 | 0 | 0 | 0 | 428 | 445 | 1.01 | 6.49 | 6.35 | 0.76 | 0.4 |
1215| 0 | 287 | 525 | 0 | 0 | 0 | 444 | 463 | 0.97 | 7.73 | 7.6 | 0.75 | 0.42 |
1216| 0 | 288 | 496 | 0 | 0 | 0 | 417 | 438 | 0.95 | 6.51 | 6.51 | 0.75 | 0.41 |
1217| 0 | 289 | 522 | 0 | 0 | 0 | 450 | 464 | 0.97 | 7.64 | 7.47 | 0.75 | 0.41 |
1218| 0 | 290 | 495 | 0 | 0 | 0 | 426 | 438 | 1.07 | 7.72 | 7.68 | 0.77 | 0.38 |
1219| 0 | 291 | 536 | 0 | 0 | 0 | 464 | 489 | 1.04 | 8.22 | 8.29 | 0.76 | 0.39 |
1220| 0 | 292 | 493 | 0 | 0 | 0 | 412 | 435 | 0.94 | 7.92 | 7.89 | 0.74 | 0.43 |
1221| 0 | 293 | 517 | 0 | 0 | 0 | 439 | 461 | 0.98 | 7.35 | 7.25 | 0.75 | 0.39 |
1222| 0 | 294 | 501 | 0 | 0 | 0 | 419 | 439 | 0.95 | 6.78 | 6.62 | 0.76 | 0.4 |
1223| 0 | 295 | 511 | 0 | 0 | 0 | 428 | 446 | 0.94 | 7.23 | 7.04 | 0.75 | 0.41 |
1224| 0 | 296 | 486 | 0 | 0 | 0 | 419 | 437 | 0.97 | 8.02 | 7.73 | 0.74 | 0.41 |
1225| 0 | 297 | 532 | 0 | 0 | 0 | 439 | 464 | 0.91 | 6.7 | 6.53 | 0.75 | 0.4 |
1226| 0 | 298 | 509 | 0 | 0 | 0 | 422 | 443 | 0.99 | 8.03 | 7.79 | 0.75 | 0.39 |
1227| 0 | 299 | 520 | 0 | 0 | 0 | 448 | 465 | 0.94 | 8.61 | 8.38 | 0.75 | 0.4 |
1228| 0 | 300 | 473 | 0 | 0 | 0 | 395 | 410 | 0.91 | 8.63 | 8.5 | 0.75 | 0.4 |
1229| 0 | 301 | 543 | 0 | 0 | 0 | 472 | 485 | 0.94 | 7.93 | 7.77 | 0.75 | 0.39 |
1230| 0 | 302 | 514 | 0 | 0 | 0 | 432 | 450 | 0.81 | 6.6 | 6.41 | 0.74 | 0.41 |
1231| 0 | 303 | 530 | 0 | 0 | 0 | 455 | 468 | 0.96 | 8.21 | 8.08 | 0.74 | 0.42 |
1232| 0 | 304 | 476 | 0 | 0 | 0 | 397 | 410 | 0.88 | 6.97 | 7.07 | 0.73 | 0.42 |
1233| 0 | 305 | 536 | 0 | 0 | 0 | 448 | 463 | 0.93 | 6.63 | 6.57 | 0.74 | 0.44 |
1234| 0 | 306 | 494 | 0 | 0 | 0 | 424 | 440 | 0.84 | 6.53 | 6.44 | 0.74 | 0.43 |
1235| 0 | 307 | 502 | 0 | 0 | 0 | 439 | 453 | 0.88 | 6.97 | 6.88 | 0.74 | 0.4 |
1236| 0 | 308 | 498 | 0 | 0 | 0 | 424 | 440 | 0.92 | 7.76 | 7.61 | 0.74 | 0.42 |
1237| 0 | 309 | 541 | 0 | 0 | 0 | 454 | 468 | 0.83 | 7.05 | 7.02 | 0.73 | 0.42 |
1238| 0 | 310 | 508 | 0 | 0 | 0 | 433 | 455 | 0.85 | 6.84 | 6.67 | 0.73 | 0.41 |
1239| 0 | 311 | 484 | 0 | 0 | 0 | 406 | 426 | 0.88 | 8.21 | 7.98 | 0.73 | 0.43 |
1240| 0 | 312 | 508 | 0 | 0 | 0 | 450 | 471 | 0.85 | 7.14 | 6.84 | 0.73 | 0.4 |
1241| 0 | 313 | 524 | 0 | 0 | 0 | 436 | 456 | 0.9 | 8.04 | 7.8 | 0.73 | 0.42 |
1242| 0 | 314 | 508 | 0 | 0 | 0 | 440 | 456 | 0.85 | 7.52 | 7.37 | 0.74 | 0.41 |
1243| 0 | 315 | 524 | 0 | 0 | 0 | 440 | 462 | 0.78 | 6.06 | 6.11 | 0.72 | 0.43 |
1244| 0 | 316 | 509 | 0 | 0 | 0 | 438 | 456 | 0.77 | 7.84 | 7.57 | 0.72 | 0.42 |
1245| 0 | 317 | 495 | 0 | 0 | 0 | 424 | 442 | 0.85 | 7 | 6.92 | 0.73 | 0.41 |
1246| 0 | 318 | 472 | 0 | 0 | 0 | 401 | 415 | 0.92 | 8.64 | 8.46 | 0.73 | 0.4 |
1247| 0 | 319 | 548 | 0 | 0 | 0 | 465 | 490 | 0.81 | 7.19 | 7.05 | 0.73 | 0.41 |
1248| 0 | 320 | 497 | 0 | 0 | 0 | 436 | 448 | 0.81 | 6.64 | 6.53 | 0.73 | 0.42 |
1249| 0 | 321 | 517 | 0 | 0 | 0 | 438 | 457 | 0.82 | 6.91 | 6.73 | 0.73 | 0.44 |
1250| 0 | 322 | 499 | 0 | 0 | 0 | 425 | 444 | 0.78 | 7.16 | 7 | 0.72 | 0.45 |
1251| 0 | 323 | 534 | 0 | 0 | 0 | 443 | 466 | 0.72 | 5.91 | 5.83 | 0.72 | 0.47 |
1252| 0 | 324 | 484 | 0 | 0 | 0 | 415 | 432 | 0.88 | 8.74 | 8.47 | 0.74 | 0.41 |
1253| 0 | 325 | 526 | 0 | 0 | 0 | 448 | 466 | 0.88 | 8.05 | 7.9 | 0.74 | 0.41 |
1254| 0 | 326 | 503 | 0 | 0 | 0 | 430 | 450 | 0.81 | 7.57 | 7.48 | 0.72 | 0.44 |
1255| 0 | 327 | 490 | 0 | 0 | 0 | 412 | 429 | 0.79 | 7.54 | 7.3 | 0.72 | 0.43 |
1256| 0 | 328 | 532 | 0 | 0 | 0 | 458 | 474 | 0.75 | 7.12 | 7.02 | 0.72 | 0.42 |
1257| 0 | 329 | 517 | 0 | 0 | 0 | 430 | 451 | 0.75 | 6.7 | 6.56 | 0.71 | 0.44 |
1258| 0 | 330 | 529 | 0 | 0 | 0 | 455 | 475 | 0.83 | 7.21 | 7.22 | 0.73 | 0.45 |
1259| 0 | 331 | 495 | 0 | 0 | 0 | 420 | 442 | 0.8 | 7.52 | 7.46 | 0.72 | 0.44 |
1260| 0 | 332 | 493 | 0 | 0 | 0 | 417 | 436 | 0.76 | 6.15 | 6.14 | 0.72 | 0.43 |
1261| 0 | 333 | 498 | 0 | 0 | 0 | 424 | 444 | 0.76 | 6.93 | 6.85 | 0.72 | 0.43 |
1262| 0 | 334 | 515 | 0 | 0 | 0 | 453 | 469 | 0.8 | 7.49 | 7.3 | 0.72 | 0.45 |
1263| 0 | 335 | 501 | 0 | 0 | 0 | 412 | 426 | 0.72 | 6.95 | 6.91 | 0.71 | 0.44 |
1264| 0 | 336 | 530 | 0 | 0 | 0 | 456 | 470 | 0.67 | 5.66 | 5.52 | 0.71 | 0.47 |
1265| 0 | 337 | 518 | 0 | 0 | 0 | 426 | 451 | 0.8 | 7.61 | 7.36 | 0.72 | 0.45 |
1266| 0 | 338 | 498 | 0 | 0 | 0 | 428 | 448 | 0.75 | 6.75 | 6.54 | 0.72 | 0.41 |
1267| 0 | 339 | 522 | 0 | 0 | 0 | 429 | 456 | 0.78 | 7.51 | 7.18 | 0.72 | 0.45 |
1268| 0 | 340 | 486 | 0 | 0 | 0 | 420 | 436 | 0.79 | 7.18 | 7.18 | 0.72 | 0.42 |
1269| 0 | 341 | 522 | 0 | 0 | 0 | 446 | 470 | 0.79 | 7.13 | 7.1 | 0.73 | 0.4 |
1270| 0 | 342 | 492 | 0 | 0 | 0 | 426 | 451 | 0.71 | 5.88 | 5.91 | 0.71 | 0.47 |
1271| 0 | 343 | 530 | 0 | 0 | 0 | 448 | 469 | 0.7 | 6.13 | 5.93 | 0.72 | 0.42 |
1272| 0 | 344 | 497 | 0 | 0 | 0 | 423 | 443 | 0.7 | 6.09 | 6 | 0.71 | 0.44 |
1273| 0 | 345 | 520 | 0 | 0 | 0 | 451 | 468 | 0.8 | 7.28 | 7.25 | 0.72 | 0.44 |
1274| 0 | 346 | 488 | 0 | 0 | 0 | 406 | 420 | 0.7 | 6.37 | 6.23 | 0.7 | 0.47 |
1275| 0 | 347 | 537 | 0 | 0 | 0 | 451 | 466 | 0.73 | 6.35 | 6.31 | 0.71 | 0.43 |
1276| 0 | 348 | 491 | 0 | 0 | 0 | 419 | 435 | 0.77 | 7.55 | 7.4 | 0.73 | 0.41 |
1277| 0 | 349 | 509 | 0 | 0 | 0 | 430 | 457 | 0.73 | 6.92 | 6.7 | 0.72 | 0.42 |
1278| 0 | 350 | 514 | 0 | 0 | 0 | 416 | 442 | 0.67 | 6.74 | 6.53 | 0.71 | 0.47 |
1279| 0 | 351 | 525 | 0 | 0 | 0 | 458 | 476 | 0.78 | 6.98 | 6.89 | 0.72 | 0.44 |
1280| 0 | 352 | 505 | 0 | 0 | 0 | 430 | 444 | 0.75 | 7.12 | 7 | 0.72 | 0.44 |
1281| 0 | 353 | 477 | 0 | 0 | 0 | 404 | 419 | 0.7 | 6.36 | 6.56 | 0.71 | 0.44 |
1282| 0 | 354 | 516 | 0 | 0 | 0 | 450 | 469 | 0.74 | 7.64 | 7.4 | 0.72 | 0.45 |
1283| 0 | 355 | 530 | 0 | 0 | 0 | 451 | 474 | 0.66 | 5.61 | 5.74 | 0.71 | 0.47 |
1284| 0 | 356 | 512 | 2 | 0 | 0 | 443 | 467 | 0.71 | 6.75 | 6.68 | 0.71 | 0.44 |
1285| 0 | 357 | 499 | 2 | 0 | 0 | 417 | 439 | 0.73 | 7.33 | 7.06 | 0.72 | 0.42 |
1286| 0 | 358 | 543 | 0 | 0 | 0 | 463 | 487 | 0.66 | 5.93 | 5.72 | 0.7 | 0.44 |
1287| 0 | 359 | 472 | 0 | 0 | 0 | 403 | 416 | 0.72 | 6.49 | 6.42 | 0.7 | 0.48 |
1288| 0 | 360 | 488 | 4 | 0 | 0 | 422 | 436 | 0.76 | 7.79 | 7.84 | 0.73 | 0.41 |
1289| 0 | 361 | 536 | 17 | 0 | 0 | 468 | 488 | 0.77 | 8.47 | 8.88 | 0.72 | 0.43 |
1290| 0 | 362 | 480 | 15 | 0 | 0 | 413 | 429 | 0.75 | 6.48 | 6.53 | 0.72 | 0.44 |
1291| 0 | 363 | 486 | 20 | 0 | 0 | 429 | 447 | 0.69 | 6.76 | 6.82 | 0.7 | 0.46 |
1292| 0 | 364 | 510 | 0 | 0 | 0 | 442 | 458 | 0.66 | 5.98 | 5.83 | 0.71 | 0.43 |
1293| 0 | 365 | 512 | 0 | 0 | 0 | 446 | 459 | 0.72 | 7.67 | 7.49 | 0.72 | 0.42 |
1294| 0 | 366 | 516 | 0 | 0 | 0 | 420 | 442 | 0.66 | 6.36 | 6.19 | 0.7 | 0.42 |
1295| 0 | 367 | 542 | 2 | 0 | 0 | 468 | 483 | 0.73 | 7.81 | 7.7 | 0.71 | 0.45 |
1296| 0 | 368 | 541 | 0 | 0 | 0 | 471 | 480 | 0.69 | 8.04 | 7.99 | 0.71 | 0.41 |
1297| 0 | 369 | 520 | 2 | 0 | 0 | 439 | 456 | 0.64 | 6.51 | 6.48 | 0.7 | 0.45 |
1298| 0 | 370 | 473 | 0 | 0 | 0 | 407 | 420 | 0.7 | 7.57 | 7.43 | 0.72 | 0.45 |
1299| 0 | 371 | 459 | 0 | 0 | 0 | 397 | 413 | 0.69 | 5.87 | 5.72 | 0.71 | 0.46 |
1300| 0 | 372 | 524 | 0 | 0 | 0 | 445 | 458 | 0.76 | 7.72 | 7.58 | 0.72 | 0.43 |
1301| 0 | 373 | 503 | 0 | 0 | 0 | 437 | 449 | 0.72 | 7.12 | 6.99 | 0.72 | 0.41 |
1302| 0 | 374 | 507 | 2 | 0 | 0 | 432 | 449 | 0.76 | 8.31 | 8.29 | 0.71 | 0.45 |
1303| 0 | 375 | 500 | 0 | 0 | 0 | 433 | 450 | 0.69 | 6.31 | 6.36 | 0.71 | 0.43 |
1304| 0 | 376 | 508 | 0 | 0 | 0 | 423 | 448 | 0.69 | 6.24 | 6.1 | 0.71 | 0.44 |
1305| 0 | 377 | 525 | 0 | 0 | 0 | 446 | 462 | 0.59 | 5.65 | 5.53 | 0.7 | 0.45 |
1306| 0 | 378 | 515 | 0 | 0 | 0 | 435 | 451 | 0.69 | 6.32 | 6.42 | 0.7 | 0.44 |
1307| 0 | 379 | 511 | 0 | 0 | 0 | 423 | 446 | 0.68 | 5.59 | 5.53 | 0.71 | 0.46 |
1308| 0 | 380 | 536 | 0 | 0 | 0 | 461 | 480 | 0.69 | 6.58 | 6.41 | 0.71 | 0.42 |
1309| 0 | 381 | 525 | 2 | 0 | 0 | 438 | 458 | 0.69 | 7.38 | 7.21 | 0.71 | 0.46 |
1310| 0 | 382 | 520 | 0 | 0 | 0 | 427 | 452 | 0.75 | 7.18 | 7.17 | 0.72 | 0.43 |
1311| 0 | 383 | 491 | 0 | 0 | 0 | 420 | 435 | 0.64 | 6.73 | 6.61 | 0.71 | 0.41 |
1312| 0 | 384 | 500 | 0 | 0 | 0 | 419 | 435 | 0.64 | 6.12 | 5.98 | 0.71 | 0.43 |
1313| 0 | 385 | 501 | 0 | 0 | 0 | 438 | 449 | 0.65 | 6.32 | 6.41 | 0.7 | 0.46 |
1314| 0 | 386 | 497 | 0 | 0 | 0 | 428 | 451 | 0.68 | 7.64 | 7.44 | 0.71 | 0.46 |
1315| 0 | 387 | 525 | 0 | 0 | 0 | 462 | 473 | 0.73 | 7.1 | 7.04 | 0.72 | 0.44 |
1316| 0 | 388 | 499 | 0 | 0 | 0 | 431 | 443 | 0.7 | 7.2 | 7.1 | 0.71 | 0.43 |
1317| 0 | 389 | 528 | 0 | 0 | 0 | 440 | 468 | 0.73 | 8.27 | 8.09 | 0.7 | 0.45 |
1318| 0 | 390 | 488 | 0 | 0 | 0 | 421 | 436 | 0.69 | 6.73 | 6.62 | 0.71 | 0.45 |
1319| 0 | 391 | 526 | 0 | 0 | 0 | 438 | 467 | 0.68 | 6.8 | 6.63 | 0.71 | 0.43 |
1320| 0 | 392 | 522 | 0 | 0 | 0 | 444 | 459 | 0.7 | 6.69 | 6.55 | 0.7 | 0.47 |
1321| 0 | 393 | 489 | 2 | 0 | 0 | 418 | 439 | 0.67 | 6.48 | 6.37 | 0.71 | 0.46 |
1322| 0 | 394 | 542 | 0 | 0 | 0 | 465 | 473 | 0.63 | 6.09 | 6 | 0.71 | 0.46 |
1323| 0 | 395 | 496 | 0 | 0 | 0 | 429 | 445 | 0.66 | 6.48 | 6.29 | 0.71 | 0.46 |
1324| 0 | 396 | 496 | 0 | 0 | 0 | 418 | 433 | 0.61 | 6.07 | 5.86 | 0.71 | 0.45 |
1325| 0 | 397 | 523 | 0 | 0 | 0 | 459 | 473 | 0.64 | 5.92 | 5.82 | 0.7 | 0.44 |
1326| 0 | 398 | 497 | 0 | 0 | 0 | 406 | 430 | 0.66 | 6.43 | 6.3 | 0.71 | 0.45 |
1327| 0 | 399 | 505 | 0 | 0 | 0 | 424 | 444 | 0.65 | 6.78 | 6.6 | 0.71 | 0.46 |
1328| 0 | 400 | 520 | 0 | 0 | 0 | 443 | 463 | 0.71 | 7.08 | 6.91 | 0.72 | 0.44 |
1329| 0 | 401 | 502 | 0 | 0 | 0 | 430 | 448 | 0.7 | 6.84 | 6.69 | 0.71 | 0.43 |
1330| 0 | 402 | 503 | 0 | 0 | 0 | 424 | 443 | 0.69 | 7.01 | 6.88 | 0.72 | 0.44 |
1331| 0 | 403 | 505 | 0 | 0 | 0 | 438 | 455 | 0.65 | 6.21 | 6.22 | 0.71 | 0.45 |
1332| 0 | 404 | 509 | 0 | 0 | 0 | 438 | 454 | 0.71 | 7.8 | 7.64 | 0.72 | 0.42 |
1333| 0 | 405 | 518 | 0 | 0 | 0 | 446 | 458 | 0.65 | 6.57 | 6.47 | 0.71 | 0.43 |
1334| 0 | 406 | 492 | 0 | 0 | 0 | 413 | 431 | 0.68 | 6.74 | 6.67 | 0.7 | 0.43 |
1335| 0 | 407 | 530 | 0 | 0 | 0 | 454 | 475 | 0.67 | 6.41 | 6.29 | 0.7 | 0.44 |
1336| 0 | 408 | 488 | 0 | 0 | 0 | 410 | 424 | 0.72 | 7.21 | 7.17 | 0.72 | 0.43 |
1337| 0 | 409 | 541 | 0 | 0 | 0 | 460 | 479 | 0.63 | 6.59 | 6.5 | 0.7 | 0.48 |
1338| 0 | 410 | 481 | 0 | 0 | 0 | 406 | 423 | 0.7 | 6.42 | 6.43 | 0.73 | 0.4 |
1339| 0 | 411 | 540 | 0 | 0 | 0 | 461 | 479 | 0.62 | 6.62 | 6.62 | 0.69 | 0.46 |
1340| 0 | 412 | 478 | 0 | 0 | 0 | 409 | 425 | 0.66 | 6.58 | 6.59 | 0.72 | 0.41 |
1341| 0 | 413 | 542 | 0 | 0 | 0 | 456 | 475 | 0.67 | 7.23 | 7.08 | 0.7 | 0.46 |
1342| 0 | 414 | 494 | 0 | 0 | 0 | 427 | 440 | 0.68 | 7.13 | 7.12 | 0.72 | 0.41 |
1343| 0 | 415 | 522 | 0 | 0 | 0 | 446 | 472 | 0.65 | 5.69 | 5.48 | 0.71 | 0.44 |
1344| 0 | 416 | 494 | 0 | 0 | 0 | 412 | 434 | 0.72 | 6.74 | 6.72 | 0.72 | 0.43 |
1345| 0 | 417 | 530 | 0 | 0 | 0 | 450 | 466 | 0.63 | 5.9 | 5.81 | 0.7 | 0.49 |
1346| 0 | 418 | 500 | 0 | 0 | 0 | 435 | 454 | 0.7 | 6.68 | 6.83 | 0.73 | 0.43 |
1347| 0 | 419 | 533 | 0 | 0 | 0 | 454 | 470 | 0.61 | 6.09 | 5.98 | 0.69 | 0.47 |
1348| 0 | 420 | 485 | 0 | 0 | 0 | 414 | 429 | 0.71 | 7.22 | 7.33 | 0.72 | 0.42 |
1349| 0 | 421 | 535 | 0 | 0 | 0 | 450 | 479 | 0.63 | 5.81 | 5.59 | 0.7 | 0.45 |
1350| 0 | 422 | 495 | 0 | 0 | 0 | 420 | 436 | 0.68 | 6.52 | 6.4 | 0.72 | 0.43 |
1351| 0 | 423 | 509 | 0 | 0 | 0 | 427 | 442 | 0.7 | 6.68 | 6.62 | 0.7 | 0.45 |
1352| 0 | 424 | 517 | 0 | 0 | 0 | 436 | 458 | 0.66 | 7.26 | 7.02 | 0.72 | 0.44 |
1353| 0 | 425 | 492 | 0 | 0 | 0 | 425 | 442 | 0.69 | 6.97 | 6.88 | 0.72 | 0.46 |
1354| 0 | 426 | 530 | 0 | 0 | 0 | 461 | 477 | 0.67 | 6.71 | 6.64 | 0.72 | 0.44 |
1355| 0 | 427 | 504 | 0 | 0 | 0 | 434 | 455 | 0.69 | 6.85 | 6.83 | 0.71 | 0.46 |
1356| 0 | 428 | 498 | 0 | 0 | 0 | 416 | 440 | 0.64 | 6.31 | 6.11 | 0.71 | 0.44 |
1357| 0 | 429 | 501 | 0 | 0 | 0 | 421 | 443 | 0.69 | 6.56 | 6.5 | 0.71 | 0.45 |
1358| 0 | 430 | 506 | 0 | 0 | 0 | 436 | 457 | 0.65 | 5.9 | 5.86 | 0.71 | 0.45 |
1359| 0 | 431 | 531 | 0 | 0 | 0 | 449 | 472 | 0.73 | 8.81 | 8.51 | 0.73 | 0.43 |
1360| 0 | 432 | 480 | 0 | 0 | 0 | 419 | 433 | 0.61 | 6.05 | 5.93 | 0.71 | 0.43 |
1361| 0 | 433 | 525 | 0 | 0 | 0 | 450 | 466 | 0.67 | 6.37 | 6.27 | 0.72 | 0.44 |
1362| 0 | 434 | 522 | 0 | 0 | 0 | 435 | 453 | 0.65 | 6.1 | 6.22 | 0.71 | 0.43 |
1363| 0 | 435 | 487 | 0 | 0 | 0 | 422 | 436 | 0.62 | 5.53 | 5.48 | 0.7 | 0.46 |
1364| 0 | 436 | 521 | 0 | 0 | 0 | 450 | 465 | 0.65 | 6.68 | 6.51 | 0.72 | 0.45 |
1365| 0 | 437 | 497 | 0 | 0 | 0 | 414 | 434 | 0.67 | 6.6 | 6.44 | 0.72 | 0.44 |
1366| 0 | 438 | 520 | 0 | 0 | 0 | 434 | 450 | 0.65 | 6.52 | 6.29 | 0.71 | 0.43 |
1367| 0 | 439 | 529 | 0 | 0 | 0 | 459 | 481 | 0.67 | 6.59 | 6.6 | 0.7 | 0.44 |
1368| 0 | 440 | 503 | 0 | 0 | 0 | 433 | 450 | 0.7 | 7.04 | 6.91 | 0.72 | 0.42 |
1369| 0 | 441 | 512 | 0 | 0 | 0 | 432 | 453 | 0.69 | 6.77 | 6.88 | 0.71 | 0.46 |
1370| 0 | 442 | 507 | 0 | 0 | 0 | 429 | 450 | 0.68 | 6.62 | 6.41 | 0.71 | 0.41 |
1371| 0 | 443 | 507 | 0 | 0 | 0 | 421 | 440 | 0.72 | 6.43 | 6.51 | 0.73 | 0.41 |
1372| 0 | 444 | 514 | 0 | 0 | 0 | 428 | 444 | 0.66 | 6.71 | 6.59 | 0.72 | 0.45 |
1373| 0 | 445 | 487 | 0 | 0 | 0 | 406 | 423 | 0.64 | 6.71 | 6.63 | 0.72 | 0.43 |
1374| 0 | 446 | 511 | 0 | 0 | 0 | 436 | 456 | 0.64 | 6.08 | 5.95 | 0.72 | 0.42 |
1375| 0 | 447 | 480 | 0 | 0 | 0 | 407 | 429 | 0.61 | 6.05 | 5.83 | 0.71 | 0.44 |
1376| 0 | 448 | 548 | 0 | 0 | 0 | 472 | 493 | 0.75 | 8.12 | 7.95 | 0.73 | 0.43 |
1377| 0 | 449 | 499 | 0 | 0 | 0 | 423 | 442 | 0.67 | 5.88 | 6.01 | 0.72 | 0.44 |
1378| 0 | 450 | 495 | 0 | 0 | 0 | 422 | 440 | 0.72 | 6.95 | 6.82 | 0.72 | 0.41 |
1379| 0 | 451 | 537 | 0 | 0 | 0 | 456 | 478 | 0.64 | 6.12 | 6.31 | 0.71 | 0.43 |
1380| 0 | 452 | 525 | 0 | 0 | 0 | 453 | 473 | 0.69 | 7.23 | 7.06 | 0.72 | 0.42 |
1381| 0 | 453 | 523 | 0 | 0 | 0 | 442 | 463 | 0.58 | 5.27 | 5.28 | 0.7 | 0.44 |
1382| 0 | 454 | 503 | 0 | 0 | 0 | 436 | 453 | 0.61 | 5.69 | 5.55 | 0.72 | 0.44 |
1383| 0 | 455 | 518 | 0 | 0 | 0 | 436 | 459 | 0.69 | 6.23 | 6.14 | 0.72 | 0.42 |
1384| 0 | 456 | 515 | 0 | 0 | 0 | 431 | 458 | 0.68 | 6.13 | 6.1 | 0.71 | 0.44 |
1385| 0 | 457 | 463 | 0 | 0 | 0 | 397 | 415 | 0.72 | 7.19 | 7.19 | 0.72 | 0.41 |
1386| 0 | 458 | 539 | 0 | 0 | 0 | 459 | 478 | 0.71 | 7.04 | 7.07 | 0.72 | 0.43 |
1387| 0 | 459 | 471 | 0 | 0 | 0 | 400 | 424 | 0.67 | 6.37 | 6.3 | 0.71 | 0.44 |
1388| 0 | 460 | 467 | 0 | 0 | 0 | 399 | 419 | 0.68 | 6.56 | 6.96 | 0.71 | 0.46 |
1389| 0 | 461 | 509 | 0 | 0 | 0 | 436 | 454 | 0.63 | 6.01 | 5.8 | 0.71 | 0.43 |
1390| 0 | 462 | 546 | 0 | 0 | 0 | 455 | 476 | 0.71 | 6.16 | 6.28 | 0.72 | 0.41 |
1391| 0 | 463 | 544 | 0 | 0 | 0 | 468 | 486 | 0.67 | 6.88 | 6.84 | 0.71 | 0.45 |
1392| 0 | 464 | 526 | 0 | 0 | 0 | 444 | 464 | 0.65 | 6.15 | 6.07 | 0.71 | 0.42 |
1393| 0 | 465 | 515 | 0 | 0 | 0 | 447 | 463 | 0.7 | 6.68 | 6.7 | 0.72 | 0.44 |
1394| 0 | 466 | 512 | 0 | 0 | 0 | 444 | 458 | 0.67 | 7.42 | 7.28 | 0.71 | 0.42 |
1395| 0 | 467 | 522 | 0 | 0 | 0 | 436 | 458 | 0.64 | 6.14 | 6.42 | 0.71 | 0.44 |
1396| 0 | 468 | 455 | 0 | 0 | 0 | 381 | 399 | 0.72 | 7.15 | 6.95 | 0.72 | 0.43 |
1397| 0 | 469 | 560 | 0 | 0 | 0 | 481 | 500 | 0.72 | 6.43 | 6.42 | 0.73 | 0.41 |
1398| 0 | 470 | 489 | 0 | 0 | 0 | 419 | 431 | 0.76 | 7.47 | 7.58 | 0.73 | 0.42 |
1399| 0 | 471 | 448 | 0 | 0 | 0 | 386 | 402 | 0.68 | 5.78 | 5.87 | 0.71 | 0.41 |
1400| 0 | 472 | 507 | 0 | 0 | 0 | 421 | 436 | 0.64 | 6.17 | 6.14 | 0.7 | 0.42 |
1401| 0 | 473 | 579 | 0 | 0 | 0 | 499 | 516 | 0.67 | 6.76 | 6.58 | 0.72 | 0.42 |
1402| 0 | 474 | 497 | 0 | 0 | 0 | 431 | 447 | 0.64 | 5.41 | 5.36 | 0.71 | 0.42 |
1403| 0 | 475 | 535 | 0 | 0 | 0 | 459 | 473 | 0.65 | 6.39 | 6.23 | 0.71 | 0.42 |
1404| 0 | 476 | 499 | 0 | 0 | 0 | 408 | 429 | 0.68 | 6.67 | 6.56 | 0.72 | 0.46 |
1405| 0 | 477 | 504 | 0 | 0 | 0 | 422 | 437 | 0.71 | 6.61 | 6.52 | 0.72 | 0.43 |
1406| 0 | 478 | 501 | 0 | 0 | 0 | 429 | 450 | 0.71 | 7.09 | 7.09 | 0.73 | 0.42 |
1407| 0 | 479 | 519 | 0 | 0 | 0 | 451 | 469 | 0.76 | 7.16 | 7.24 | 0.72 | 0.44 |
1408| 0 | 480 | 467 | 0 | 0 | 0 | 405 | 421 | 0.72 | 6.33 | 6.23 | 0.72 | 0.44 |
1409| 0 | 481 | 497 | 0 | 0 | 0 | 425 | 449 | 0.64 | 5.49 | 5.52 | 0.7 | 0.44 |
1410| 0 | 482 | 560 | 0 | 0 | 0 | 479 | 498 | 0.73 | 6.14 | 6.14 | 0.72 | 0.45 |
1411| 0 | 483 | 510 | 0 | 0 | 0 | 419 | 438 | 0.67 | 5.43 | 5.42 | 0.71 | 0.44 |
1412| 0 | 484 | 515 | 0 | 0 | 0 | 445 | 464 | 0.68 | 6.56 | 6.4 | 0.71 | 0.45 |
1413| 0 | 485 | 513 | 0 | 0 | 0 | 431 | 453 | 0.75 | 6.79 | 6.67 | 0.72 | 0.42 |
1414| 0 | 486 | 506 | 0 | 0 | 0 | 436 | 452 | 0.69 | 6.26 | 6.21 | 0.73 | 0.41 |
1415| 0 | 487 | 506 | 0 | 0 | 0 | 435 | 460 | 0.65 | 5.52 | 5.72 | 0.73 | 0.43 |
1416| 0 | 488 | 469 | 0 | 0 | 0 | 399 | 413 | 0.73 | 6.64 | 6.6 | 0.71 | 0.46 |
1417| 0 | 489 | 507 | 0 | 0 | 0 | 427 | 441 | 0.65 | 6.05 | 5.87 | 0.7 | 0.45 |
1418| 0 | 490 | 511 | 0 | 0 | 0 | 435 | 449 | 0.69 | 5.52 | 5.41 | 0.73 | 0.44 |
1419| 0 | 491 | 547 | 0 | 0 | 0 | 462 | 480 | 0.72 | 6.78 | 6.63 | 0.71 | 0.45 |
1420| 0 | 492 | 505 | 0 | 0 | 0 | 432 | 455 | 0.66 | 6.06 | 5.99 | 0.7 | 0.44 |
1421| 0 | 493 | 503 | 0 | 0 | 0 | 429 | 446 | 0.75 | 7.41 | 7.42 | 0.73 | 0.42 |
1422| 0 | 494 | 508 | 0 | 0 | 0 | 441 | 452 | 0.71 | 6 | 5.95 | 0.73 | 0.43 |
1423| 0 | 495 | 521 | 0 | 0 | 0 | 444 | 459 | 0.72 | 7.32 | 7.17 | 0.72 | 0.41 |
1424| 0 | 496 | 474 | 0 | 0 | 0 | 403 | 421 | 0.68 | 5.48 | 5.41 | 0.71 | 0.45 |
1425| 0 | 497 | 541 | 0 | 0 | 0 | 473 | 489 | 0.71 | 6.01 | 5.88 | 0.71 | 0.44 |
1426| 0 | 498 | 523 | 0 | 0 | 0 | 438 | 456 | 0.72 | 6.66 | 6.57 | 0.72 | 0.44 |
1427| 0 | 499 | 497 | 0 | 0 | 0 | 428 | 444 | 0.67 | 5.44 | 5.33 | 0.71 | 0.45 |
1428| 0 | 500 | 517 | 0 | 0 | 0 | 434 | 450 | 0.71 | 6.11 | 5.9 | 0.7 | 0.46 |
1429| 0 | 501 | 523 | 0 | 0 | 0 | 449 | 467 | 0.75 | 6.94 | 6.84 | 0.73 | 0.41 |
1430| 0 | 502 | 490 | 0 | 0 | 0 | 427 | 439 | 0.72 | 5.94 | 5.93 | 0.72 | 0.45 |
1431| 0 | 503 | 499 | 0 | 0 | 0 | 421 | 439 | 0.72 | 6.9 | 6.79 | 0.72 | 0.45 |
1432| 0 | 504 | 480 | 0 | 0 | 0 | 407 | 425 | 0.71 | 5.9 | 5.92 | 0.72 | 0.44 |
1433| 0 | 505 | 549 | 0 | 0 | 0 | 487 | 506 | 0.73 | 6.42 | 6.34 | 0.72 | 0.44 |
1434| 0 | 506 | 499 | 0 | 0 | 0 | 423 | 442 | 0.71 | 6.93 | 6.88 | 0.71 | 0.45 |
1435| 0 | 507 | 503 | 0 | 0 | 0 | 430 | 448 | 0.75 | 7.66 | 7.51 | 0.73 | 0.41 |
1436| 0 | 508 | 544 | 0 | 0 | 0 | 464 | 485 | 0.8 | 7.05 | 7.13 | 0.73 | 0.42 |
1437| 0 | 509 | 484 | 0 | 0 | 0 | 415 | 428 | 0.73 | 6.51 | 6.46 | 0.72 | 0.45 |
1438| 0 | 510 | 516 | 0 | 0 | 0 | 441 | 458 | 0.77 | 6.26 | 6.19 | 0.73 | 0.43 |
1439| 0 | 511 | 487 | 0 | 0 | 0 | 420 | 439 | 0.72 | 6.07 | 5.98 | 0.72 | 0.45 |
1440| 0 | 512 | 521 | 0 | 0 | 0 | 453 | 473 | 0.71 | 5.5 | 5.55 | 0.71 | 0.42 |
1441| 0 | 513 | 508 | 0 | 0 | 0 | 434 | 447 | 0.77 | 6.38 | 6.26 | 0.72 | 0.43 |
1442| 0 | 514 | 535 | 0 | 0 | 0 | 458 | 474 | 0.78 | 6.32 | 6.48 | 0.72 | 0.44 |
1443| 0 | 515 | 491 | 0 | 0 | 0 | 432 | 450 | 0.77 | 6.31 | 6.37 | 0.73 | 0.43 |
1444| 0 | 516 | 493 | 0 | 0 | 0 | 418 | 441 | 0.78 | 6.95 | 6.76 | 0.72 | 0.43 |
1445| 0 | 517 | 526 | 0 | 0 | 0 | 434 | 450 | 0.79 | 6.44 | 6.39 | 0.73 | 0.41 |
1446| 0 | 518 | 504 | 0 | 0 | 0 | 435 | 456 | 0.8 | 7.13 | 7.07 | 0.72 | 0.43 |
1447| 0 | 519 | 533 | 0 | 0 | 0 | 464 | 482 | 0.79 | 7.02 | 6.93 | 0.72 | 0.44 |
1448| 0 | 520 | 508 | 0 | 0 | 0 | 413 | 433 | 0.77 | 6.81 | 6.62 | 0.73 | 0.41 |
1449| 0 | 521 | 520 | 0 | 0 | 0 | 436 | 454 | 0.81 | 6.46 | 6.38 | 0.73 | 0.43 |
1450| 0 | 522 | 484 | 1 | 0 | 0 | 403 | 424 | 0.75 | 6.09 | 6.13 | 0.72 | 0.43 |
1451| 0 | 523 | 503 | 0 | 0 | 0 | 438 | 455 | 0.77 | 5.89 | 5.78 | 0.73 | 0.42 |
1452| 0 | 524 | 521 | 0 | 0 | 0 | 444 | 462 | 0.81 | 6.22 | 6.14 | 0.73 | 0.44 |
1453| 0 | 525 | 518 | 0 | 0 | 0 | 448 | 468 | 0.8 | 5.88 | 5.79 | 0.73 | 0.44 |
1454| 0 | 526 | 515 | 0 | 0 | 0 | 448 | 466 | 0.78 | 6.55 | 6.44 | 0.73 | 0.44 |
1455| 0 | 527 | 493 | 0 | 0 | 0 | 418 | 443 | 0.76 | 5.92 | 5.85 | 0.73 | 0.43 |
1456| 0 | 528 | 501 | 0 | 0 | 0 | 419 | 440 | 0.85 | 6.57 | 6.46 | 0.74 | 0.4 |
1457| 0 | 529 | 512 | 2 | 0 | 0 | 452 | 468 | 0.82 | 7 | 6.89 | 0.72 | 0.42 |
1458| 0 | 530 | 514 | 0 | 0 | 0 | 436 | 455 | 0.74 | 6.09 | 6.09 | 0.72 | 0.43 |
1459| 0 | 531 | 510 | 2 | 0 | 0 | 439 | 464 | 0.85 | 6.39 | 6.29 | 0.73 | 0.41 |
1460| 0 | 532 | 521 | 0 | 0 | 0 | 454 | 466 | 0.85 | 7.3 | 7.21 | 0.74 | 0.4 |
1461| 0 | 533 | 514 | 0 | 0 | 0 | 437 | 450 | 0.84 | 6.15 | 6.18 | 0.72 | 0.45 |
1462| 0 | 534 | 483 | 0 | 0 | 0 | 410 | 430 | 0.84 | 7.17 | 6.99 | 0.73 | 0.41 |
1463| 0 | 535 | 516 | 0 | 0 | 0 | 427 | 449 | 0.81 | 6.68 | 6.43 | 0.73 | 0.42 |
1464| 0 | 536 | 502 | 0 | 0 | 0 | 434 | 453 | 0.86 | 6.76 | 6.64 | 0.73 | 0.41 |
1465| 0 | 537 | 512 | 0 | 0 | 0 | 435 | 453 | 0.79 | 6.21 | 6.06 | 0.73 | 0.42 |
1466| 0 | 538 | 511 | 2 | 0 | 0 | 430 | 451 | 0.79 | 6.34 | 6.21 | 0.74 | 0.41 |
1467| 0 | 539 | 506 | 0 | 0 | 0 | 430 | 450 | 0.87 | 6.82 | 6.97 | 0.73 | 0.41 |
1468| 0 | 540 | 501 | 0 | 0 | 0 | 427 | 442 | 0.88 | 6.33 | 6.24 | 0.73 | 0.43 |
1469| 0 | 541 | 518 | 8 | 0 | 0 | 446 | 460 | 0.87 | 6.43 | 6.32 | 0.74 | 0.41 |
1470| 0 | 542 | 504 | 28 | 0 | 0 | 451 | 468 | 0.9 | 7.47 | 7.62 | 0.74 | 0.41 |
1471| 0 | 543 | 492 | 16 | 0 | 0 | 426 | 442 | 0.83 | 5.89 | 6.09 | 0.73 | 0.43 |
1472| 0 | 544 | 509 | 10 | 0 | 0 | 435 | 460 | 0.86 | 6.76 | 6.56 | 0.74 | 0.42 |
1473| 0 | 545 | 519 | 2 | 0 | 0 | 443 | 461 | 0.92 | 6.53 | 6.45 | 0.74 | 0.4 |
1474| 0 | 546 | 490 | 0 | 0 | 0 | 415 | 433 | 0.84 | 6.02 | 5.86 | 0.73 | 0.42 |
1475| 0 | 547 | 530 | 0 | 0 | 0 | 442 | 464 | 0.88 | 6.72 | 6.69 | 0.74 | 0.41 |
1476| 0 | 548 | 471 | 2 | 0 | 0 | 408 | 426 | 0.86 | 6.24 | 6.18 | 0.73 | 0.42 |
1477| 0 | 549 | 510 | 0 | 0 | 0 | 440 | 458 | 0.9 | 6.93 | 6.8 | 0.74 | 0.42 |
1478| 0 | 550 | 530 | 0 | 0 | 0 | 438 | 459 | 0.93 | 8.48 | 8.22 | 0.74 | 0.39 |
1479| 0 | 551 | 503 | 0 | 0 | 0 | 434 | 451 | 0.95 | 6.72 | 6.55 | 0.74 | 0.42 |
1480| 0 | 552 | 536 | 0 | 0 | 0 | 459 | 481 | 0.88 | 6.34 | 6.23 | 0.74 | 0.43 |
1481| 0 | 553 | 501 | 0 | 0 | 0 | 416 | 435 | 0.88 | 6.03 | 6.03 | 0.75 | 0.4 |
1482| 0 | 554 | 497 | 0 | 0 | 0 | 427 | 445 | 0.91 | 6.76 | 6.68 | 0.75 | 0.4 |
1483| 0 | 555 | 519 | 0 | 0 | 0 | 444 | 459 | 1.02 | 8.13 | 8.15 | 0.75 | 0.41 |
1484| 0 | 556 | 505 | 0 | 0 | 0 | 431 | 449 | 0.97 | 7.39 | 7.29 | 0.75 | 0.41 |
1485| 0 | 557 | 497 | 2 | 0 | 0 | 424 | 441 | 0.98 | 7.43 | 7.23 | 0.75 | 0.39 |
1486| 0 | 558 | 511 | 2 | 0 | 0 | 427 | 451 | 0.87 | 6.58 | 6.46 | 0.75 | 0.4 |
1487| 0 | 559 | 508 | 0 | 0 | 0 | 422 | 442 | 0.94 | 6.74 | 6.6 | 0.74 | 0.42 |
1488| 0 | 560 | 504 | 0 | 0 | 0 | 441 | 458 | 0.94 | 7.12 | 6.84 | 0.75 | 0.39 |
1489| 0 | 561 | 507 | 0 | 0 | 0 | 442 | 459 | 0.95 | 6.67 | 6.63 | 0.75 | 0.4 |
1490| 0 | 562 | 532 | 0 | 0 | 0 | 453 | 473 | 1 | 6.77 | 6.68 | 0.76 | 0.4 |
1491| 0 | 563 | 504 | 0 | 0 | 0 | 422 | 441 | 1.03 | 8.15 | 7.9 | 0.75 | 0.4 |
1492| 0 | 564 | 500 | 0 | 0 | 0 | 426 | 449 | 0.98 | 6.47 | 6.32 | 0.75 | 0.43 |
1493| 0 | 565 | 509 | 0 | 0 | 0 | 432 | 457 | 0.97 | 7.01 | 7.16 | 0.75 | 0.4 |
1494| 0 | 566 | 536 | 0 | 0 | 0 | 461 | 479 | 0.96 | 6.49 | 6.29 | 0.76 | 0.39 |
1495| 0 | 567 | 464 | 0 | 0 | 0 | 399 | 420 | 1.06 | 7.61 | 7.44 | 0.76 | 0.41 |
1496| 0 | 568 | 509 | 0 | 0 | 0 | 424 | 449 | 1.02 | 6.84 | 6.79 | 0.75 | 0.4 |
1497| 0 | 569 | 509 | 0 | 0 | 0 | 427 | 450 | 1.02 | 7.71 | 7.35 | 0.76 | 0.4 |
1498| 0 | 570 | 530 | 0 | 0 | 0 | 447 | 465 | 1.1 | 8.15 | 8.05 | 0.76 | 0.41 |
1499| 0 | 571 | 496 | 0 | 0 | 0 | 423 | 445 | 1.06 | 6.71 | 6.88 | 0.76 | 0.43 |
1500| 0 | 572 | 532 | 0 | 0 | 0 | 445 | 468 | 1 | 5.98 | 6 | 0.76 | 0.4 |
1501| 0 | 573 | 498 | 0 | 0 | 0 | 431 | 452 | 1.14 | 7.77 | 7.82 | 0.77 | 0.39 |
1502| 0 | 574 | 500 | 0 | 0 | 0 | 408 | 432 | 1.01 | 6.11 | 5.9 | 0.76 | 0.42 |
1503| 0 | 575 | 505 | 0 | 0 | 0 | 430 | 445 | 1.15 | 8.01 | 7.82 | 0.77 | 0.4 |
1504| 0 | 576 | 502 | 0 | 0 | 0 | 441 | 455 | 1.04 | 6.33 | 6.38 | 0.76 | 0.4 |
1505| 0 | 577 | 516 | 0 | 0 | 0 | 432 | 459 | 1.1 | 7.19 | 7.02 | 0.77 | 0.38 |
1506| 0 | 578 | 497 | 0 | 0 | 0 | 411 | 428 | 1.12 | 7.35 | 7.32 | 0.76 | 0.41 |
1507| 0 | 579 | 531 | 0 | 0 | 0 | 463 | 483 | 1.15 | 6.38 | 6.73 | 0.77 | 0.41 |
1508| 0 | 580 | 483 | 0 | 0 | 0 | 421 | 428 | 1.04 | 5.93 | 5.92 | 0.76 | 0.42 |
1509| 0 | 581 | 533 | 0 | 0 | 0 | 461 | 479 | 1.21 | 8.1 | 7.99 | 0.78 | 0.4 |
1510| 0 | 582 | 504 | 0 | 0 | 0 | 423 | 449 | 1.19 | 8.52 | 8.25 | 0.77 | 0.42 |
1511| 0 | 583 | 498 | 0 | 0 | 0 | 424 | 442 | 1.16 | 7.41 | 7.29 | 0.78 | 0.4 |
1512| 0 | 584 | 525 | 0 | 0 | 0 | 440 | 458 | 1.23 | 7.65 | 7.56 | 0.77 | 0.4 |
1513| 0 | 585 | 505 | 0 | 0 | 0 | 436 | 450 | 1.26 | 7.17 | 7.03 | 0.78 | 0.4 |
1514| 0 | 586 | 517 | 0 | 0 | 0 | 433 | 456 | 1.13 | 6.1 | 6.23 | 0.77 | 0.41 |
1515| 0 | 587 | 496 | 0 | 0 | 0 | 428 | 442 | 1.33 | 8.49 | 8.39 | 0.79 | 0.38 |
1516| 0 | 588 | 513 | 0 | 0 | 0 | 439 | 453 | 1.22 | 7.78 | 7.88 | 0.78 | 0.37 |
1517| 0 | 589 | 510 | 0 | 0 | 0 | 438 | 460 | 1.34 | 8.37 | 8.4 | 0.79 | 0.39 |
1518| 0 | 590 | 507 | 0 | 0 | 0 | 440 | 463 | 1.25 | 7.65 | 7.43 | 0.78 | 0.38 |
1519| 0 | 591 | 508 | 0 | 0 | 0 | 438 | 452 | 1.25 | 6.6 | 6.49 | 0.79 | 0.4 |
1520| 0 | 592 | 496 | 0 | 0 | 0 | 425 | 439 | 1.3 | 8.12 | 8.07 | 0.78 | 0.39 |
1521| 0 | 593 | 524 | 0 | 0 | 0 | 438 | 459 | 1.39 | 8.25 | 8.14 | 0.79 | 0.38 |
1522| 0 | 594 | 506 | 0 | 0 | 0 | 435 | 455 | 1.23 | 6.77 | 6.63 | 0.78 | 0.4 |
1523| 0 | 595 | 525 | 0 | 0 | 0 | 442 | 460 | 1.32 | 7.1 | 7.06 | 0.79 | 0.39 |
1524| 0 | 596 | 487 | 0 | 0 | 0 | 418 | 438 | 1.26 | 6.87 | 6.64 | 0.78 | 0.39 |
1525| 0 | 597 | 504 | 0 | 0 | 0 | 430 | 449 | 1.48 | 9.76 | 9.67 | 0.8 | 0.38 |
1526| 0 | 598 | 504 | 0 | 0 | 0 | 431 | 447 | 1.42 | 7.86 | 7.72 | 0.79 | 0.39 |
1527| 0 | 599 | 522 | 0 | 0 | 0 | 439 | 456 | 1.31 | 6.19 | 6.14 | 0.79 | 0.38 |
1528| 0 | 600 | 514 | 0 | 0 | 0 | 457 | 471 | 1.29 | 8.25 | 8.06 | 0.79 | 0.37 |
1529| 0 | 601 | 527 | 0 | 0 | 0 | 456 | 474 | 1.45 | 9.29 | 9.02 | 0.8 | 0.39 |
1530| 0 | 602 | 485 | 0 | 0 | 0 | 413 | 427 | 1.32 | 8.23 | 8.06 | 0.79 | 0.39 |
1531| 0 | 603 | 514 | 0 | 0 | 0 | 442 | 460 | 1.54 | 9.02 | 8.95 | 0.8 | 0.38 |
1532| 0 | 604 | 520 | 0 | 0 | 0 | 430 | 452 | 1.34 | 7.45 | 7.49 | 0.79 | 0.39 |
1533| 0 | 605 | 512 | 0 | 0 | 0 | 431 | 449 | 1.46 | 6.89 | 6.74 | 0.8 | 0.38 |
1534| 0 | 606 | 510 | 0 | 0 | 0 | 428 | 454 | 1.35 | 7.38 | 7.21 | 0.79 | 0.39 |
1535| 0 | 607 | 509 | 0 | 0 | 0 | 432 | 455 | 1.39 | 8.23 | 8.18 | 0.79 | 0.39 |
1536| 0 | 608 | 493 | 0 | 0 | 0 | 414 | 438 | 1.42 | 8.23 | 8 | 0.8 | 0.36 |
1537| 0 | 609 | 524 | 0 | 0 | 0 | 450 | 466 | 1.48 | 8.06 | 7.88 | 0.8 | 0.39 |
1538| 0 | 610 | 490 | 0 | 0 | 0 | 428 | 445 | 1.4 | 9.16 | 8.99 | 0.79 | 0.39 |
1539| 0 | 611 | 530 | 0 | 0 | 0 | 455 | 464 | 1.39 | 7.9 | 7.89 | 0.79 | 0.4 |
1540| 0 | 612 | 489 | 0 | 0 | 0 | 420 | 436 | 1.31 | 6.03 | 6.25 | 0.79 | 0.39 |
1541| 0 | 613 | 495 | 0 | 0 | 0 | 422 | 431 | 1.37 | 7.33 | 7.32 | 0.8 | 0.37 |
1542| 0 | 614 | 520 | 0 | 0 | 0 | 449 | 473 | 1.45 | 8.23 | 8.06 | 0.79 | 0.39 |
1543| 0 | 615 | 493 | 0 | 0 | 0 | 431 | 446 | 1.37 | 7.09 | 6.94 | 0.79 | 0.37 |
1544| 0 | 616 | 528 | 0 | 0 | 0 | 444 | 471 | 1.35 | 7.8 | 7.73 | 0.79 | 0.37 |
1545| 0 | 617 | 525 | 0 | 0 | 0 | 443 | 465 | 1.4 | 8.2 | 8.16 | 0.79 | 0.4 |
1546| 0 | 618 | 500 | 0 | 0 | 0 | 415 | 445 | 1.36 | 7.65 | 7.54 | 0.79 | 0.38 |
1547| 0 | 619 | 527 | 0 | 0 | 0 | 454 | 476 | 1.39 | 8.12 | 7.88 | 0.79 | 0.39 |
1548| 0 | 620 | 503 | 0 | 0 | 0 | 429 | 439 | 1.34 | 7.93 | 7.97 | 0.79 | 0.39 |
1549| 0 | 621 | 485 | 0 | 0 | 0 | 415 | 435 | 1.33 | 7.18 | 7.1 | 0.79 | 0.41 |
1550| 0 | 622 | 503 | 0 | 0 | 0 | 427 | 439 | 1.28 | 7.03 | 6.94 | 0.79 | 0.41 |
1551| 0 | 623 | 516 | 0 | 0 | 0 | 440 | 456 | 1.29 | 7.56 | 7.36 | 0.78 | 0.39 |
1552| 0 | 624 | 500 | 0 | 0 | 0 | 417 | 443 | 1.31 | 8.65 | 8.5 | 0.79 | 0.38 |
1553| 0 | 625 | 503 | 0 | 0 | 0 | 430 | 453 | 1.21 | 8.33 | 7.96 | 0.78 | 0.39 |
1554| 0 | 626 | 529 | 0 | 0 | 0 | 447 | 465 | 1.25 | 6.85 | 6.64 | 0.78 | 0.41 |
1555| 0 | 627 | 522 | 0 | 0 | 0 | 435 | 467 | 1.38 | 9.21 | 8.87 | 0.79 | 0.37 |
1556| 0 | 628 | 508 | 0 | 0 | 0 | 432 | 450 | 1.3 | 8.25 | 8.01 | 0.79 | 0.39 |
1557| 0 | 629 | 504 | 0 | 0 | 0 | 433 | 446 | 1.23 | 8.81 | 8.77 | 0.77 | 0.41 |
1558| 0 | 630 | 514 | 0 | 0 | 0 | 439 | 454 | 1.28 | 7.5 | 7.36 | 0.78 | 0.4 |
1559| 0 | 631 | 515 | 0 | 0 | 0 | 431 | 449 | 1.1 | 6.34 | 6.15 | 0.78 | 0.38 |
1560| 0 | 632 | 519 | 0 | 0 | 0 | 446 | 468 | 1.19 | 9.43 | 9.26 | 0.77 | 0.41 |
1561| 0 | 633 | 483 | 0 | 0 | 0 | 419 | 432 | 1.16 | 7.97 | 7.84 | 0.77 | 0.4 |
1562| 0 | 634 | 510 | 0 | 0 | 0 | 440 | 460 | 1.21 | 7.61 | 7.55 | 0.77 | 0.4 |
1563| 0 | 635 | 483 | 0 | 0 | 0 | 403 | 420 | 1.23 | 9.51 | 9.24 | 0.77 | 0.4 |
1564| 0 | 636 | 529 | 0 | 0 | 0 | 443 | 461 | 1.13 | 7.24 | 7.13 | 0.77 | 0.41 |
1565| 0 | 637 | 514 | 0 | 0 | 0 | 451 | 467 | 1.08 | 7.75 | 7.51 | 0.76 | 0.41 |
1566| 0 | 638 | 493 | 0 | 0 | 0 | 415 | 431 | 1.11 | 8.29 | 8.03 | 0.76 | 0.43 |
1567| 0 | 639 | 538 | 0 | 0 | 0 | 448 | 469 | 1.11 | 6.89 | 6.74 | 0.76 | 0.42 |
1568| 0 | 640 | 507 | 0 | 0 | 0 | 445 | 457 | 1.24 | 9.42 | 9.18 | 0.77 | 0.39 |
1569| 0 | 641 | 476 | 0 | 0 | 0 | 409 | 430 | 1.01 | 7.77 | 7.39 | 0.76 | 0.42 |
1570| 0 | 642 | 530 | 0 | 0 | 0 | 452 | 471 | 1.03 | 7.66 | 7.58 | 0.75 | 0.44 |
1571| 0 | 643 | 500 | 0 | 0 | 0 | 412 | 435 | 1.04 | 7 | 6.77 | 0.76 | 0.4 |
1572| 0 | 644 | 521 | 0 | 0 | 0 | 452 | 469 | 1.1 | 6.92 | 6.94 | 0.76 | 0.41 |
1573| 0 | 645 | 514 | 0 | 0 | 0 | 427 | 452 | 1.14 | 7.31 | 7.25 | 0.77 | 0.39 |
1574| 0 | 646 | 486 | 0 | 0 | 0 | 413 | 429 | 1 | 6.9 | 6.68 | 0.75 | 0.42 |
1575| 0 | 647 | 536 | 0 | 0 | 0 | 449 | 465 | 1.03 | 7.76 | 7.64 | 0.75 | 0.42 |
1576| 0 | 648 | 485 | 0 | 0 | 0 | 407 | 426 | 0.97 | 6.87 | 6.59 | 0.75 | 0.42 |
1577| 0 | 649 | 506 | 0 | 0 | 0 | 443 | 455 | 1.02 | 8.04 | 7.91 | 0.75 | 0.41 |
1578| 0 | 650 | 494 | 0 | 0 | 0 | 422 | 439 | 1.04 | 7.23 | 7.08 | 0.75 | 0.39 |
1579| 0 | 651 | 520 | 0 | 0 | 0 | 456 | 473 | 1.04 | 8.13 | 8.53 | 0.76 | 0.41 |
1580| 0 | 652 | 511 | 0 | 0 | 0 | 433 | 455 | 0.96 | 8.52 | 8.17 | 0.74 | 0.42 |
1581| 0 | 653 | 507 | 0 | 0 | 0 | 428 | 440 | 1.01 | 7.82 | 7.61 | 0.75 | 0.41 |
1582| 0 | 654 | 525 | 0 | 0 | 0 | 443 | 463 | 0.96 | 7.41 | 7.35 | 0.75 | 0.41 |
1583| 0 | 655 | 489 | 0 | 0 | 0 | 426 | 440 | 0.94 | 6.61 | 6.64 | 0.74 | 0.43 |
1584| 0 | 656 | 497 | 0 | 0 | 0 | 422 | 436 | 0.96 | 7.18 | 7.13 | 0.74 | 0.41 |
1585| 0 | 657 | 518 | 0 | 0 | 0 | 432 | 455 | 0.91 | 6.84 | 6.66 | 0.74 | 0.4 |
1586| 0 | 658 | 516 | 0 | 0 | 0 | 440 | 456 | 0.98 | 7.83 | 7.8 | 0.74 | 0.4 |
1587| 0 | 659 | 521 | 0 | 0 | 0 | 443 | 468 | 0.96 | 9 | 8.54 | 0.74 | 0.42 |
1588| 0 | 660 | 482 | 0 | 0 | 0 | 408 | 421 | 0.93 | 8.25 | 8.22 | 0.74 | 0.39 |
1589| 0 | 661 | 535 | 0 | 0 | 0 | 475 | 491 | 0.96 | 8.22 | 8.08 | 0.74 | 0.43 |
1590| 0 | 662 | 509 | 0 | 0 | 0 | 434 | 450 | 0.81 | 5.38 | 5.35 | 0.73 | 0.4 |
1591| 0 | 663 | 513 | 0 | 0 | 0 | 444 | 459 | 0.96 | 8.4 | 8.25 | 0.73 | 0.42 |
1592| 0 | 664 | 487 | 0 | 0 | 0 | 418 | 428 | 0.93 | 7.24 | 7.35 | 0.74 | 0.43 |
1593| 0 | 665 | 529 | 0 | 0 | 0 | 453 | 469 | 0.94 | 7.22 | 7.02 | 0.73 | 0.41 |
1594| 0 | 666 | 509 | 0 | 0 | 0 | 436 | 454 | 0.84 | 6.34 | 6.27 | 0.73 | 0.42 |
1595| 0 | 667 | 510 | 0 | 0 | 0 | 446 | 462 | 0.86 | 6.68 | 6.47 | 0.74 | 0.41 |
1596| 0 | 668 | 494 | 0 | 0 | 0 | 419 | 436 | 0.96 | 8.39 | 8.27 | 0.74 | 0.44 |
1597| 0 | 669 | 520 | 0 | 0 | 0 | 443 | 457 | 0.81 | 6.23 | 6.16 | 0.73 | 0.41 |
1598| 0 | 670 | 513 | 0 | 0 | 0 | 432 | 448 | 0.85 | 6.66 | 6.68 | 0.73 | 0.43 |
1599| 0 | 671 | 483 | 0 | 0 | 0 | 409 | 426 | 0.91 | 8.38 | 8.27 | 0.73 | 0.41 |
1600| 0 | 672 | 502 | 0 | 0 | 0 | 447 | 463 | 0.87 | 7.17 | 6.98 | 0.73 | 0.4 |
1601| 0 | 673 | 538 | 1 | 0 | 0 | 465 | 481 | 0.9 | 7.71 | 7.53 | 0.73 | 0.42 |
1602| 0 | 674 | 502 | 0 | 0 | 0 | 425 | 440 | 0.85 | 7.84 | 7.73 | 0.73 | 0.41 |
1603| 0 | 675 | 532 | 0 | 0 | 0 | 454 | 471 | 0.83 | 7.22 | 7.04 | 0.72 | 0.41 |
1604| 0 | 676 | 496 | 1 | 0 | 0 | 419 | 430 | 0.78 | 7.19 | 7.06 | 0.72 | 0.43 |
1605| 0 | 677 | 504 | 0 | 0 | 0 | 427 | 447 | 0.87 | 7.81 | 7.76 | 0.73 | 0.42 |
1606| 0 | 678 | 475 | 0 | 0 | 0 | 399 | 416 | 0.89 | 8.11 | 8.03 | 0.73 | 0.41 |
1607| 0 | 679 | 541 | 0 | 0 | 0 | 458 | 476 | 0.85 | 7.29 | 7.15 | 0.74 | 0.41 |
1608| 0 | 680 | 503 | 0 | 0 | 0 | 426 | 450 | 0.84 | 7.24 | 6.98 | 0.73 | 0.41 |
1609| 0 | 681 | 526 | 0 | 0 | 0 | 445 | 470 | 0.84 | 7.01 | 6.75 | 0.73 | 0.43 |
1610| 0 | 682 | 474 | 0 | 0 | 0 | 383 | 407 | 0.82 | 7.37 | 7.3 | 0.72 | 0.42 |
1611| 0 | 683 | 571 | 0 | 0 | 0 | 476 | 501 | 0.75 | 6.83 | 6.85 | 0.71 | 0.45 |
1612| 0 | 684 | 451 | 0 | 0 | 0 | 390 | 404 | 0.94 | 9.59 | 9.37 | 0.75 | 0.4 |
1613| 0 | 685 | 523 | 0 | 0 | 0 | 450 | 462 | 0.85 | 7.44 | 7.3 | 0.74 | 0.43 |
1614| 0 | 686 | 507 | 0 | 0 | 0 | 436 | 460 | 0.83 | 7.51 | 7.33 | 0.73 | 0.42 |
1615| 0 | 687 | 503 | 0 | 0 | 0 | 417 | 438 | 0.79 | 7.79 | 7.49 | 0.72 | 0.42 |
1616| 0 | 688 | 500 | 0 | 0 | 0 | 422 | 442 | 0.8 | 7.36 | 7.17 | 0.72 | 0.44 |
1617| 0 | 689 | 561 | 0 | 0 | 0 | 471 | 488 | 0.74 | 6.74 | 6.62 | 0.7 | 0.47 |
1618| 0 | 690 | 523 | 0 | 0 | 0 | 454 | 477 | 0.82 | 7.68 | 7.59 | 0.73 | 0.42 |
1619| 0 | 691 | 458 | 0 | 0 | 0 | 406 | 420 | 0.8 | 7.01 | 6.79 | 0.72 | 0.42 |
1620| 0 | 692 | 505 | 0 | 0 | 0 | 415 | 444 | 0.78 | 7.18 | 6.98 | 0.72 | 0.43 |
1621| 0 | 693 | 498 | 0 | 0 | 0 | 435 | 448 | 0.78 | 7.28 | 7.33 | 0.73 | 0.41 |
1622| 0 | 694 | 528 | 0 | 0 | 0 | 456 | 473 | 0.79 | 7.15 | 6.95 | 0.72 | 0.42 |
1623| 0 | 695 | 505 | 0 | 0 | 0 | 409 | 430 | 0.73 | 7.07 | 6.78 | 0.72 | 0.42 |
1624| 0 | 696 | 534 | 0 | 0 | 0 | 464 | 478 | 0.7 | 6.72 | 6.73 | 0.71 | 0.46 |
1625| 0 | 697 | 506 | 0 | 0 | 0 | 413 | 428 | 0.86 | 8.03 | 7.94 | 0.73 | 0.41 |
1626| 0 | 698 | 505 | 1 | 0 | 0 | 437 | 456 | 0.78 | 7.18 | 7.09 | 0.71 | 0.44 |
1627| 0 | 699 | 494 | 0 | 0 | 0 | 420 | 433 | 0.82 | 6.97 | 7.15 | 0.73 | 0.45 |
1628| 0 | 700 | 487 | 0 | 0 | 0 | 408 | 429 | 0.78 | 7.44 | 7.26 | 0.72 | 0.43 |
1629| 0 | 701 | 536 | 0 | 0 | 0 | 460 | 479 | 0.79 | 7.24 | 7.11 | 0.73 | 0.44 |
1630| 0 | 702 | 511 | 0 | 0 | 0 | 454 | 469 | 0.69 | 6.14 | 6.06 | 0.71 | 0.44 |
1631| 0 | 703 | 525 | 0 | 0 | 0 | 454 | 473 | 0.73 | 6.58 | 6.38 | 0.72 | 0.42 |
1632| 0 | 704 | 488 | 0 | 0 | 0 | 414 | 434 | 0.73 | 6.15 | 6.04 | 0.72 | 0.42 |
1633| 0 | 705 | 500 | 1 | 0 | 0 | 437 | 452 | 0.79 | 7.45 | 7.39 | 0.72 | 0.42 |
1634| 0 | 706 | 496 | 0 | 0 | 0 | 396 | 420 | 0.73 | 6.92 | 6.67 | 0.72 | 0.44 |
1635| 0 | 707 | 530 | 0 | 0 | 0 | 450 | 466 | 0.72 | 6.88 | 6.96 | 0.71 | 0.45 |
1636| 0 | 708 | 516 | 1 | 0 | 0 | 449 | 462 | 0.78 | 7.09 | 6.92 | 0.73 | 0.4 |
1637| 0 | 709 | 516 | 0 | 0 | 0 | 441 | 457 | 0.72 | 7.37 | 7.29 | 0.71 | 0.47 |
1638| 0 | 710 | 525 | 0 | 0 | 0 | 435 | 464 | 0.71 | 6.62 | 6.49 | 0.71 | 0.46 |
1639| 0 | 711 | 504 | 0 | 0 | 0 | 426 | 445 | 0.82 | 7.95 | 8.03 | 0.73 | 0.43 |
1640| 0 | 712 | 499 | 1 | 0 | 0 | 417 | 442 | 0.77 | 7.6 | 7.39 | 0.72 | 0.44 |
1641| 0 | 713 | 467 | 3 | 0 | 0 | 402 | 420 | 0.73 | 7.65 | 7.44 | 0.73 | 0.41 |
1642| 0 | 714 | 517 | 0 | 0 | 0 | 448 | 458 | 0.75 | 8.03 | 7.9 | 0.73 | 0.44 |
1643| 0 | 715 | 516 | 1 | 0 | 0 | 441 | 464 | 0.7 | 6.26 | 6.2 | 0.72 | 0.44 |
1644| 0 | 716 | 517 | 0 | 0 | 0 | 442 | 460 | 0.74 | 7.39 | 7.32 | 0.72 | 0.43 |
1645| 0 | 717 | 539 | 4 | 0 | 0 | 461 | 480 | 0.67 | 6.71 | 6.64 | 0.72 | 0.43 |
1646| 0 | 718 | 525 | 5 | 0 | 0 | 447 | 470 | 0.73 | 7.15 | 6.97 | 0.71 | 0.44 |
1647| 0 | 719 | 449 | 11 | 0 | 0 | 400 | 415 | 0.71 | 6.16 | 6.1 | 0.71 | 0.46 |
1648| 0 | 720 | 272 | 207 | 0 | 0 | 406 | 421 | 0.76 | 7.95 | 8.42 | 0.73 | 0.49 |
1649+------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------+
1650
1651 Summary vs resolution
1652+------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------+
1653| ID | d min | # full | # part | # over | # ice | # sum | # prf | Ibg | I/sigI | I/sigI | CC prf | RMSD XY |
1654| | | | | | | | | | (sum) | (prf) | | |
1655|------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------|
1656| 0 | 1.21 | 380 | 3 | 0 | 0 | 195 | 319 | 0.08 | 0.27 | 0.19 | 0.5 | 0.97 |
1657| 0 | 1.23 | 1332 | 10 | 0 | 0 | 952 | 1228 | 0.09 | 0.26 | 0.22 | 0.51 | 0.92 |
1658| 0 | 1.25 | 3233 | 22 | 0 | 0 | 2606 | 2965 | 0.1 | 0.27 | 0.24 | 0.52 | 0.87 |
1659| 0 | 1.28 | 5312 | 39 | 0 | 0 | 4368 | 4822 | 0.12 | 0.32 | 0.28 | 0.53 | 0.8 |
1660| 0 | 1.3 | 7648 | 51 | 0 | 0 | 6425 | 6912 | 0.13 | 0.41 | 0.36 | 0.55 | 0.74 |
1661| 0 | 1.33 | 11094 | 74 | 0 | 0 | 9253 | 9881 | 0.15 | 0.46 | 0.41 | 0.56 | 0.69 |
1662| 0 | 1.36 | 15371 | 94 | 0 | 0 | 12970 | 13814 | 0.18 | 0.54 | 0.47 | 0.58 | 0.63 |
1663| 0 | 1.4 | 20779 | 132 | 0 | 0 | 17869 | 18839 | 0.21 | 0.64 | 0.56 | 0.6 | 0.59 |
1664| 0 | 1.43 | 23748 | 169 | 0 | 0 | 20760 | 21529 | 0.25 | 0.74 | 0.66 | 0.62 | 0.55 |
1665| 0 | 1.48 | 24455 | 176 | 0 | 0 | 20311 | 21238 | 0.28 | 1 | 0.9 | 0.64 | 0.51 |
1666| 0 | 1.52 | 24341 | 172 | 0 | 0 | 20604 | 21460 | 0.32 | 1.28 | 1.18 | 0.66 | 0.47 |
1667| 0 | 1.58 | 24576 | 170 | 0 | 0 | 21432 | 22117 | 0.37 | 1.57 | 1.47 | 0.69 | 0.44 |
1668| 0 | 1.64 | 24712 | 186 | 0 | 0 | 21140 | 21781 | 0.43 | 1.93 | 1.84 | 0.72 | 0.41 |
1669| 0 | 1.72 | 25045 | 171 | 0 | 0 | 21338 | 21959 | 0.52 | 2.71 | 2.61 | 0.76 | 0.38 |
1670| 0 | 1.81 | 25192 | 187 | 0 | 0 | 21656 | 22294 | 0.66 | 3.85 | 3.79 | 0.8 | 0.35 |
1671| 0 | 1.92 | 25082 | 234 | 0 | 0 | 21759 | 22206 | 0.89 | 5.77 | 5.76 | 0.84 | 0.32 |
1672| 0 | 2.07 | 25616 | 184 | 0 | 0 | 22282 | 22785 | 1.15 | 8.1 | 8.18 | 0.87 | 0.31 |
1673| 0 | 2.28 | 25697 | 179 | 0 | 0 | 22620 | 23008 | 1.39 | 11.22 | 11.42 | 0.89 | 0.26 |
1674| 0 | 2.61 | 26130 | 180 | 0 | 0 | 22429 | 22949 | 2.12 | 18.05 | 18.41 | 0.89 | 0.25 |
1675| 0 | 3.28 | 26279 | 244 | 0 | 0 | 22938 | 23278 | 3.59 | 41.78 | 42.64 | 0.87 | 0.24 |
1676+------+---------+----------+----------+----------+---------+---------+---------+-------+----------+----------+----------+-----------+
1677
1678 Summary for experiment 0
1679+---------------------------------------+-----------+----------+--------+
1680| Item | Overall | Low | High |
1681|---------------------------------------+-----------+----------+--------|
1682| dmin | 1.21 | 3.28 | 1.21 |
1683| dmax | 69.3 | 69.3 | 1.23 |
1684| number fully recorded | 366022 | 26279 | 380 |
1685| number partially recorded | 2677 | 244 | 3 |
1686| number with invalid background pixels | 95699 | 5239 | 372 |
1687| number with invalid foreground pixels | 54359 | 3548 | 188 |
1688| number with overloaded pixels | 0 | 0 | 0 |
1689| number in powder rings | 0 | 0 | 0 |
1690| number processed with summation | 313907 | 22938 | 195 |
1691| number processed with profile fitting | 325384 | 23278 | 319 |
1692| number failed in background modelling | 1570 | 648 | 0 |
1693| number failed in summation | 54359 | 3548 | 188 |
1694| number failed in profile fitting | 42882 | 3208 | 64 |
1695| ibg | 0.87 | 3.59 | 0.08 |
1696| i/sigi (summation) | 7.1 | 41.78 | 0.27 |
1697| i/sigi (profile fitting) | 7.04 | 42.64 | 0.19 |
1698| cc prf | 0.74 | 0.87 | 0.5 |
1699| cc_pearson sum/prf | 1 | 1 | 0.65 |
1700| cc_spearman sum/prf | 0.95 | 1 | 0.55 |
1701+---------------------------------------+-----------+----------+--------+
1702
1703Timing information for integration
1704+-------------------+----------------+
1705| Read time | 50.26 seconds |
1706| Extract time | 2.48 seconds |
1707| Pre-process time | 0.45 seconds |
1708| Process time | 144.49 seconds |
1709| Post-process time | 0.00 seconds |
1710| Total time | 198.65 seconds |
1711+-------------------+----------------+
1712
1713Removing 41622 unintegrated reflections of 368699 total
1714Saving 327077 reflections to integrated.refl
1715Saving the experiments to integrated.expt
Checking the log output, we see that after loading in the reference
reflections from refined.refl, new predictions are made up to the
highest resolution at the corner of the detector. This is fine, but if we
wanted to we could have adjusted the resolution limits using parameters
prediction.d_min and prediction.d_max. The predictions are
made using the scan-varying crystal model recorded in
refined.expt. This ensures that prediction is made using
the smoothly varying lattice and orientation that we determined in the
refinement step. As this scan-varying model was determined in advance of
integration, each of the integration jobs is independent and we can take
advantage of true parallelism during processing.
The profile model is calculated from the reflections in
refined.refl. First reflections with a too small ‘zeta’
factor are filtered out. This essentially removes reflections that are too
close to the spindle axis. In general these reflections require significant
Lorentz corrections and as a result have less trustworthy intensities anyway.
From the remaining reflection shoeboxes, the average beam divergence and
reflecting range is calculated, providing the two Gaussian width parameters
\(\sigma_D\) and \(\sigma_M\) used in the 3D profile model.
Following this, independent integration jobs are set up. These jobs overlap, so reflections are assigned to one or more jobs. What follows are blocks of information specific to each integration job.
After these jobs are finished, the reflections are ‘post-processed’, which includes the application of the LP correction to the intensities. Then summary tables are printed giving quality statistics first by frame, and then by resolution bin.
Symmetry analysis¶
After integration, further assessments of the crystal symmetry are possible. Previously, we made an assessment of the lattice symmetry (i.e. the symmetry of the diffraction spot positions), however now we have determined a set of intensity values and can investigate the full symmetry of the diffraction pattern (i.e. spot positions and intensities). The symmetry analysis consists of two stages, determining the laue group symmetry and analysing absent reflections to suggest the space group symmetry.
dials.symmetry integrated.expt integrated.refl
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3
4input {
5 experiments = integrated.expt
6 reflections = integrated.refl
7}
8
9================================================================================
10
11Performing Laue group analysis
12
13Mapping all input cells to a common minimum cell
14Filtering reflections for dataset 0
15Read 327077 predicted reflections
16Selected 312214 reflections integrated by profile and summation methods
17Combined 38 partial reflections with other partial reflections
18Removed 12 reflections below partiality threshold
19Removed 0 intensity.sum.value reflections with I/Sig(I) < -5
20Removed 1 intensity.prf.value reflections with I/Sig(I) < -5
21A round of outlier rejection has been performed,
22147 outliers have been identified.
23
24Patterson group: C 1 2/m 1 (x-y,x+y,z)
25
26--------------------------------------------------------------------------------
27
28Normalising intensities for dataset 1
29
30ML estimate of overall B_cart value:
31 14.27, -0.90, -0.70
32 14.28, -1.30
33 10.83
34ML estimate of -log of scale factor:
35 -2.16
36
37--------------------------------------------------------------------------------
38
39Estimation of resolution for Laue group analysis
40
41Removing 2 Wilson outliers with E^2 >= 16.0
42Resolution estimate from <I>/<σ(I)> > 4.0 : 2.07
43Resolution estimate from CC½ > 0.60: 1.40
44High resolution limit set to: 1.40
45Selecting 156242 reflections with d > 1.40
46
47Input crystal symmetry:
48Unit cell: (40.5515, 40.5515, 69.2883, 91.9961, 91.9961, 98.0721)
49Space group: P 1 (No. 1)
50Change of basis op to minimum cell: a,b,c
51Crystal symmetry in minimum cell:
52Unit cell: (40.5515, 40.5515, 69.2883, 91.9961, 91.9961, 98.0721)
53Space group: P 1 (No. 1)
54Lattice point group: C 1 2/m 1 (x-y,x+y,z)
55
56Overall CC for 20000 unrelated pairs: 0.379
57Estimated expectation value of true correlation coefficient E(CC) = 0.927
58Estimated sd(CC) = 0.698 / sqrt(N)
59Estimated E(CC) of true correlation coefficient from identity = 0.961
60
61--------------------------------------------------------------------------------
62
63Scoring individual symmetry elements
64
65+--------------+--------+------+--------+-----+---------------+
66| likelihood | Z-CC | CC | N | | Operator |
67|--------------+--------+------+--------+-----+---------------|
68| 0.929 | 9.93 | 0.99 | 151988 | *** | 1 |(0, 0, 0) |
69| 0.927 | 9.83 | 0.98 | 151254 | *** | 2 |(-1, 1, 0) |
70+--------------+--------+------+--------+-----+---------------+
71
72--------------------------------------------------------------------------------
73
74Scoring all possible sub-groups
75
76+-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------+
77| Patterson group | | Likelihood | NetZcc | Zcc+ | Zcc- | CC | CC- | delta | Reindex operator |
78|-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------|
79| C 1 2/m 1 | *** | 0.927 | 9.88 | 9.88 | 0 | 0.99 | 0 | 0 | a+b,-a+b,c |
80| P -1 | | 0.073 | 0.1 | 9.93 | 9.83 | 0.99 | 0.98 | 0 | a,b,c |
81+-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------+
82
83Best solution: C 1 2/m 1
84Unit cell: 53.170, 61.243, 69.288, 90.000, 93.046, 90.000
85Reindex operator: a+b,-a+b,c
86Laue group probability: 0.927
87Laue group confidence: 0.890
88
89+-------------------+--------------------------+
90| Patterson group | Corresponding MX group |
91|-------------------+--------------------------|
92| C 1 2/m 1 | C 1 2 1 |
93+-------------------+--------------------------+
94================================================================================
95
96Analysing systematic absences
97
98Laue group: C 1 2/m 1
99No absences to check for this laue group
100
101Saving reindexed experiments to symmetrized.expt in space group C 1 2 1
102Saving 327077 reindexed reflections to symmetrized.refl
The laue group symmetry is the 3D rotational symmetry of the diffraction pattern plus inversion symmetry (due to Friedel’s law that I(h,k,l) = I(-h,-k,-l) when absorption is negligible). To determine the laue group symmetry, all possible symmetry operations of the lattice are scored by comparing the correlation of reflection intensities that would be equivalent under a given operation. The scores for individual symmetry operations are then combined to score the potential laue groups.
Scoring all possible sub-groups
+-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------+
| Patterson group | | Likelihood | NetZcc | Zcc+ | Zcc- | CC | CC- | delta | Reindex operator |
|-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------|
| C 1 2/m 1 | *** | 0.927 | 9.88 | 9.88 | 0 | 0.99 | 0 | 0 | a+b,-a+b,c |
| P -1 | | 0.073 | 0.1 | 9.93 | 9.83 | 0.99 | 0.98 | 0 | a,b,c |
+-------------------+-----+--------------+----------+--------+--------+------+-------+---------+--------------------+
Best solution: C 1 2/m 1
Unit cell: 53.170, 61.243, 69.288, 90.000, 93.046, 90.000
Reindex operator: a+b,-a+b,c
Laue group probability: 0.927
Laue group confidence: 0.890
+-------------------+--------------------------+
| Patterson group | Corresponding MX group |
|-------------------+--------------------------|
| C 1 2/m 1 | C 1 2 1 |
+-------------------+--------------------------+
================================================================================
Here we see clearly that the best solution is given by C 1 2/m 1, with
a high likelihood. For macromolecules, their chirality means that mirror symmetry
is not allowed (the ‘m’ in C 1 2/m 1), therefore the determined symmetry
relevant for MX at this point is C2. For some laue groups, there are multiple
space groups possible due additional translational symmetries
(e.g P 2, P 21 for laue group P2/m), which requires an additional
analysis of systematic absences. However this is not the case for C 1 2/m 1,
therefore the final result of the analysis is the space group C2, in agreement
with the result from dials.refine_bravais_settings.
Scaling and Merging¶
Before the data can be reduced for structure solution, the intensity values must be corrected for experimental effects which occur prior to the reflection being measured on the detector. These primarily include sample illumination/absorption effects and radiation damage, which result in symmetry-equivalent reflections having unequal measured intensities (i.e. a systematic effect in addition to any variance due to counting statistics). Thus the purpose of scaling is to determine a scale factor to apply to each reflection, such that the scaled intensities are representative of the ‘true’ scattering intensity from the contents of the unit cell.
During scaling, a scaling model is created, from which scale factors are calculated for each reflection. Three physically motivated corrections are used to create an scaling model, in a similar manner to that used in the program aimless. This model consists of a smoothly varying scale factor as a function of rotation angle, a smoothly varying B-factor to account for radiation damage as a function of rotation angle and an absorption surface correction, dependent on the direction of the incoming and scattered beam vector relative to the crystal.
dials.scale symmetrized.expt symmetrized.refl
Show/Hide Log
1DIALS 3.dev.1243-gd06ef435d
2The following parameters have been modified:
3input {
4 experiments = symmetrized.expt
5 reflections = symmetrized.refl
6}
7
8Checking for the existence of a reflection table
9containing multiple datasets
10
11Found 1 reflection tables & 1 experiments in total.
12
13Dataset ids are: 0
14
15Space group being used during scaling is C 1 2 1
16
17Scaling models have been initialised for all experiments.
18
19================================================================================
20
21The experiment id for this dataset is 0.
22The scaling model type being applied is physical.
23
24Applying filter of min_isigi > -5.0, partiality > 0.4
25Read 327077 predicted reflections
26Selected 327077 reflections integrated by profile or summation methods
27Removed 1100 reflections below partiality threshold
28Removed 0 intensity.sum.value reflections with I/Sig(I) < -5.0
29Removed 0 intensity.prf.value reflections with I/Sig(I) < -5.0
30Combined 38 partial reflections with other partial reflections
31Excluding 1659/327039 reflections
32Reflections passing individual criteria:
33criterion: user excluded, reflections: 1659
34criterion: excluded for scaling, reflections: 1659
35
36The following corrections will be applied to this dataset:
37
38+--------------+----------------+
39| correction | n_parameters |
40|--------------+----------------|
41| scale | 26 |
42| decay | 20 |
43| absorption | 24 |
44+--------------+----------------+
45Loaded error model:
46Error model details:
47 Type: basic
48 Parameters: a = 1.00000, b = 0.02000
49 Error model formula: σ'² = a²(σ² + (bI)²)
50 estimated I/sigma asymptotic limit: 50.000
51
52A round of outlier rejection has been performed,
536490 outliers have been identified.
54
55325073 reflections were preselected for scale factor determination
56out of 325380 suitable reflections:
57Reflections passing individual criteria:
58criterion: in I/sigma range (I/sig > -5.0), reflections: 325379
59criterion: above min partiality ( > 0.95), reflections: 325074
60
61Randomly selected 7479/48533 groups (m>1) to use for scaling model
62minimisation (50270 reflections)
63Completed preprocessing and initialisation for this dataset.
64
65================================================================================
66
67Components to be refined in this cycle for all datasets: scale, decay, absorption
68Performing a round of scaling with an LBFGS minimizer.
69
70Time taken for refinement 3.55
71
72Refinement steps:
73+--------+--------+----------+
74| Step | Nref | RMSD_I |
75| | | (a.u) |
76|--------+--------+----------|
77| 0 | 49246 | 1.2242 |
78| 1 | 49246 | 1.1753 |
79| 2 | 49246 | 1.0494 |
80| 3 | 49246 | 0.98356 |
81| 4 | 49246 | 0.88594 |
82| 5 | 49246 | 0.83668 |
83| 6 | 49246 | 0.83299 |
84| 7 | 49246 | 0.8151 |
85| 8 | 49246 | 0.81007 |
86| 9 | 49246 | 0.80047 |
87| 10 | 49246 | 0.79677 |
88| 11 | 49246 | 0.7962 |
89| 12 | 49246 | 0.79545 |
90| 13 | 49246 | 0.79528 |
91| 14 | 49246 | 0.79502 |
92| 15 | 49246 | 0.79494 |
93| 16 | 49246 | 0.79482 |
94| 17 | 49246 | 0.79473 |
95| 18 | 49246 | 0.79465 |
96+--------+--------+----------+
97RMSD no longer decreasing
98lbfgs minimizer stop: callback_after_step is True
99
100================================================================================
101
102Scale factors determined during minimisation have now been
103applied to all reflections for dataset 0.
104
105A round of outlier rejection has been performed,
106176 outliers have been identified.
107
108Performing profile/summation intensity optimisation.
109+-----------------+---------+---------+
110| Combination | CC1/2 | Rmeas |
111|-----------------+---------+---------|
112| prf only | 0.99897 | 0.06032 |
113| sum only | 0.99893 | 0.06694 |
114| Imid = 310.13 | 0.999 | 0.06024 |
115| Imid = 39733.19 | 0.99897 | 0.06032 |
116| Imid = 3973.32 | 0.99899 | 0.06024 |
117| Imid = 397.33 | 0.999 | 0.06016 |
118| Imid = 39.73 | 0.99889 | 0.06294 |
119+-----------------+---------+---------+
120Combined intensities with Imid = 397.33 determined to be best for scaling.
121
122A round of outlier rejection has been performed,
123146 outliers have been identified.
124
125Components to be refined in this cycle for all datasets: scale, decay, absorption
126Performing a round of scaling with an LBFGS minimizer.
127
128Time taken for refinement 0.99
129
130Refinement steps:
131+--------+--------+----------+
132| Step | Nref | RMSD_I |
133| | | (a.u) |
134|--------+--------+----------|
135| 0 | 50240 | 0.83161 |
136| 1 | 50240 | 0.83106 |
137| 2 | 50240 | 0.82989 |
138| 3 | 50240 | 0.82981 |
139+--------+--------+----------+
140RMSD no longer decreasing
141lbfgs minimizer stop: callback_after_step is True
142
143================================================================================
144
145Scale factors determined during minimisation have now been
146applied to all reflections for dataset 0.
147
148A round of outlier rejection has been performed,
149138 outliers have been identified.
150
151Performing a round of error model refinement.
152
153Error model details:
154 Type: basic
155 Parameters: a = 0.70559, b = 0.03884
156 Error model formula: σ'² = a²(σ² + (bI)²)
157 estimated I/sigma asymptotic limit: 36.488
158
159Results of error model refinement. Uncorrected and corrected variances
160of normalised intensity deviations for given intensity ranges. Variances
161are expected to be ~1.0 for reliable errors (sigmas).
162+--------------------------+----------+------------------------+----------------------+
163| Intensity range (<Ih>) | n_refl | Uncorrected variance | Corrected variance |
164|--------------------------+----------+------------------------+----------------------|
165| 9938.20 - 1930.05 | 883 | 9.538 | 0.909 |
166| 1930.05 - 1464.22 | 883 | 7.57 | 1.086 |
167| 1464.22 - 1233.17 | 883 | 5.228 | 1.062 |
168| 1233.17 - 906.93 | 2076 | 3.976 | 0.96 |
169| 906.93 - 498.47 | 5976 | 2.695 | 1.084 |
170| 498.47 - 273.97 | 9783 | 1.587 | 1.121 |
171| 273.97 - 150.58 | 14804 | 1.025 | 1.133 |
172| 150.58 - 82.76 | 19581 | 0.748 | 1.095 |
173| 82.76 - 45.49 | 20596 | 0.584 | 0.999 |
174| 45.49 - 24.99 | 12908 | 0.473 | 0.87 |
175+--------------------------+----------+------------------------+----------------------+
176
177Components to be refined in this cycle for all datasets: scale, decay, absorption
178Performing a round of scaling with a Levenberg-Marquardt minimizer.
179
180Time taken for refinement 3.54
181
182Refinement steps:
183+--------+--------+----------+
184| Step | Nref | RMSD_I |
185| | | (a.u) |
186|--------+--------+----------|
187| 0 | 50245 | 1.0457 |
188| 1 | 50245 | 1.0416 |
189| 2 | 50245 | 1.039 |
190| 3 | 50245 | 1.0375 |
191| 4 | 50245 | 1.0372 |
192| 5 | 50245 | 1.0372 |
193+--------+--------+----------+
194RMSD no longer decreasing
195
196================================================================================
197
198Components to be refined in this cycle for all datasets: scale, decay, absorption
199Performing a round of scaling with a Levenberg-Marquardt minimizer.
200
201Time taken for refinement 1.12
202
203Refinement steps:
204+--------+--------+----------+
205| Step | Nref | RMSD_I |
206| | | (a.u) |
207|--------+--------+----------|
208| 0 | 50245 | 1.0372 |
209| 1 | 50245 | 1.0372 |
210+--------+--------+----------+
211RMSD no longer decreasing
212
213================================================================================
214
215Scale factors determined during minimisation have now been
216applied to all reflections for dataset 0.
217
218A round of outlier rejection has been performed,
219190 outliers have been identified.
220
221Performing a round of error model refinement.
222
223Error model details:
224 Type: basic
225 Parameters: a = 0.67891, b = 0.04183
226 Error model formula: σ'² = a²(σ² + (bI)²)
227 estimated I/sigma asymptotic limit: 35.216
228
229Results of error model refinement. Uncorrected and corrected variances
230of normalised intensity deviations for given intensity ranges. Variances
231are expected to be ~1.0 for reliable errors (sigmas).
232+--------------------------+----------+------------------------+----------------------+
233| Intensity range (<Ih>) | n_refl | Uncorrected variance | Corrected variance |
234|--------------------------+----------+------------------------+----------------------|
235| 9949.77 - 1933.95 | 881 | 10.8 | 0.976 |
236| 1933.95 - 1469.68 | 881 | 7.716 | 1.08 |
237| 1469.68 - 1238.38 | 881 | 5.067 | 1.006 |
238| 1238.38 - 907.59 | 2097 | 4.066 | 0.901 |
239| 907.59 - 498.78 | 5993 | 2.678 | 1.036 |
240| 498.78 - 274.11 | 9810 | 1.536 | 1.086 |
241| 274.11 - 150.64 | 14768 | 0.987 | 1.104 |
242| 150.64 - 82.79 | 19581 | 0.726 | 1.101 |
243| 82.79 - 45.50 | 20450 | 0.559 | 1.011 |
244| 45.50 - 24.99 | 12834 | 0.463 | 0.909 |
245+--------------------------+----------+------------------------+----------------------+
246
247
248The reflection table variances have been adjusted to account for the
249uncertainty in the scaling model
250
251Total time taken: 18.4561s
252
253================================================================================
254
25540.00% of model parameters have significant uncertainty
256(sigma/abs(parameter) > 0.5)
257
258Summary of dataset partialities
259+------------------+----------+
260| Partiality (p) | n_refl |
261|------------------+----------|
262| all reflections | 327039 |
263| p > 0.99 | 324980 |
264| 0.5 < p < 0.99 | 354 |
265| 0.01 < p < 0.5 | 334 |
266| p < 0.01 | 1371 |
267+------------------+----------+
268
269Reflections below a partiality_cutoff of 0.4 are not considered for any
270part of the scaling analysis or for the reporting of merging statistics.
271Additionally, if applicable, only reflections with a min_partiality > 0.95
272were considered for use when refining the scaling model.
273
274
275 ----------Merging statistics by resolution bin----------
276
277 d_max d_min #obs #uniq mult. %comp <I> <I/sI> r_mrg r_meas r_pim r_anom cc1/2 cc_ano
278 69.30 3.29 23046 3403 6.77 98.64 544.2 67.6 0.037 0.041 0.015 0.043 0.999* 0.292*
279 3.29 2.61 22762 3324 6.85 97.51 198.5 47.5 0.049 0.054 0.020 0.059 0.998* 0.314*
280 2.61 2.28 22907 3267 7.01 96.77 103.0 35.7 0.065 0.070 0.026 0.073 0.997* 0.368*
281 2.28 2.07 22699 3258 6.97 96.05 70.5 27.4 0.078 0.084 0.032 0.081 0.996* 0.260*
282 2.07 1.92 21992 3177 6.92 95.21 45.8 20.5 0.098 0.106 0.040 0.099 0.995* 0.224*
283 1.92 1.81 22185 3190 6.95 94.30 26.2 14.1 0.136 0.147 0.055 0.130 0.991* 0.162*
284 1.81 1.72 21826 3167 6.89 94.14 16.2 9.8 0.180 0.194 0.073 0.172 0.985* 0.142*
285 1.72 1.64 21507 3115 6.90 93.01 11.0 7.0 0.233 0.253 0.096 0.214 0.979* 0.103*
286 1.64 1.58 22177 3126 7.09 92.65 8.6 5.8 0.283 0.305 0.114 0.245 0.972* 0.109*
287 1.58 1.53 21416 3095 6.92 91.98 6.5 4.5 0.340 0.368 0.139 0.305 0.959* 0.099*
288 1.53 1.48 20945 3075 6.81 91.74 5.0 3.5 0.419 0.454 0.173 0.367 0.948* 0.012
289 1.48 1.44 21449 3035 7.07 90.73 3.6 2.6 0.560 0.604 0.225 0.461 0.922* 0.071*
290 1.44 1.40 19024 3010 6.32 90.44 3.0 2.1 0.636 0.693 0.271 0.566 0.891* 0.032
291 1.40 1.36 14334 2460 5.83 72.89 2.5 1.7 0.736 0.808 0.326 0.650 0.834* -0.006
292 1.36 1.33 9982 1762 5.67 52.58 2.2 1.4 0.843 0.925 0.374 0.746 0.790* -0.052
293 1.33 1.31 6959 1290 5.39 38.60 1.9 1.2 0.919 1.013 0.416 0.822 0.786* 0.072
294 1.31 1.28 5117 999 5.12 29.76 1.5 0.9 1.224 1.358 0.572 1.027 0.600* 0.016
295 1.28 1.26 3119 715 4.36 21.31 1.4 0.7 1.397 1.576 0.707 1.140 0.520* -0.027
296 1.26 1.23 1339 417 3.21 12.55 1.1 0.5 1.459 1.723 0.893 1.369 0.368* 0.015
297 1.23 1.21 405 233 1.74 6.87 1.0 0.4 0.984 1.272 0.794 1.265 0.629* 0.132
298 69.19 1.21 325190 49118 6.62 72.96 71.1 16.8 0.066 0.071 0.027 0.071 0.999* 0.276*
299
300
301
302 -------------Summary of merging statistics--------------
303
304 Overall Low High
305High resolution limit 1.21 3.29 1.21
306Low resolution limit 69.19 69.30 1.23
307Completeness 73.0 98.6 6.9
308Multiplicity 6.6 6.8 1.7
309I/sigma 16.8 67.6 0.4
310Rmerge(I) 0.066 0.037 0.984
311Rmerge(I+/-) 0.056 0.031 0.964
312Rmeas(I) 0.071 0.041 1.272
313Rmeas(I+/-) 0.067 0.036 1.364
314Rpim(I) 0.027 0.015 0.794
315Rpim(I+/-) 0.035 0.019 0.964
316CC half 0.999 0.999 0.629
317Anomalous completeness 71.7 99.0 1.9
318Anomalous multiplicity 3.4 3.5 1.4
319Anomalous correlation 0.276 0.292 0.132
320Anomalous slope 1.090
321dF/F 0.063
322dI/s(dI) 1.226
323Total observations 325190 23046 405
324Total unique 49118 3403 233
325
326Writing html report to dials.scale.html
327Saving the scaled experiments to scaled.expt
328Saving the scaled reflections to scaled.refl
329See dials.github.io/dials_scale_user_guide.html for more info on scaling options
As can be seen from the output text, 70 parameters are used to parameterise the scaling model for this dataset. Outlier rejection is performed at several stages, as outliers have a disproportionately large effect during scaling and can lead to poor scaling results. During scaling, the distribution of the intensity uncertainties are also analysed and a correction is applied based on a prior expectation of the intensity error distribution. At the end of the output, a table and summary of the merging statistics are presented, which give indications of the quality of the scaled dataset:
----------Merging statistics by resolution bin----------
d_max d_min #obs #uniq mult. %comp <I> <I/sI> r_mrg r_meas r_pim r_anom cc1/2 cc_ano
69.30 3.29 23046 3403 6.77 98.64 544.2 67.6 0.037 0.041 0.015 0.043 0.999* 0.292*
3.29 2.61 22762 3324 6.85 97.51 198.5 47.5 0.049 0.054 0.020 0.059 0.998* 0.314*
2.61 2.28 22907 3267 7.01 96.77 103.0 35.7 0.065 0.070 0.026 0.073 0.997* 0.368*
2.28 2.07 22699 3258 6.97 96.05 70.5 27.4 0.078 0.084 0.032 0.081 0.996* 0.260*
2.07 1.92 21992 3177 6.92 95.21 45.8 20.5 0.098 0.106 0.040 0.099 0.995* 0.224*
1.92 1.81 22185 3190 6.95 94.30 26.2 14.1 0.136 0.147 0.055 0.130 0.991* 0.162*
1.81 1.72 21826 3167 6.89 94.14 16.2 9.8 0.180 0.194 0.073 0.172 0.985* 0.142*
1.72 1.64 21507 3115 6.90 93.01 11.0 7.0 0.233 0.253 0.096 0.214 0.979* 0.103*
1.64 1.58 22177 3126 7.09 92.65 8.6 5.8 0.283 0.305 0.114 0.245 0.972* 0.109*
1.58 1.53 21416 3095 6.92 91.98 6.5 4.5 0.340 0.368 0.139 0.305 0.959* 0.099*
1.53 1.48 20945 3075 6.81 91.74 5.0 3.5 0.419 0.454 0.173 0.367 0.948* 0.012
1.48 1.44 21449 3035 7.07 90.73 3.6 2.6 0.560 0.604 0.225 0.461 0.922* 0.071*
1.44 1.40 19024 3010 6.32 90.44 3.0 2.1 0.636 0.693 0.271 0.566 0.891* 0.032
1.40 1.36 14334 2460 5.83 72.89 2.5 1.7 0.736 0.808 0.326 0.650 0.834* -0.006
1.36 1.33 9982 1762 5.67 52.58 2.2 1.4 0.843 0.925 0.374 0.746 0.790* -0.052
1.33 1.31 6959 1290 5.39 38.60 1.9 1.2 0.919 1.013 0.416 0.822 0.786* 0.072
1.31 1.28 5117 999 5.12 29.76 1.5 0.9 1.224 1.358 0.572 1.027 0.600* 0.016
1.28 1.26 3119 715 4.36 21.31 1.4 0.7 1.397 1.576 0.707 1.140 0.520* -0.027
1.26 1.23 1339 417 3.21 12.55 1.1 0.5 1.459 1.723 0.893 1.369 0.368* 0.015
1.23 1.21 405 233 1.74 6.87 1.0 0.4 0.984 1.272 0.794 1.265 0.629* 0.132
69.19 1.21 325190 49118 6.62 72.96 71.1 16.8 0.066 0.071 0.027 0.071 0.999* 0.276*
-------------Summary of merging statistics--------------
Overall Low High
High resolution limit 1.21 3.29 1.21
Low resolution limit 69.19 69.30 1.23
Completeness 73.0 98.6 6.9
Multiplicity 6.6 6.8 1.7
I/sigma 16.8 67.6 0.4
Rmerge(I) 0.066 0.037 0.984
Rmerge(I+/-) 0.056 0.031 0.964
Rmeas(I) 0.071 0.041 1.272
Rmeas(I+/-) 0.067 0.036 1.364
Rpim(I) 0.027 0.015 0.794
Rpim(I+/-) 0.035 0.019 0.964
CC half 0.999 0.999 0.629
Anomalous completeness 71.7 99.0 1.9
Anomalous multiplicity 3.4 3.5 1.4
Anomalous correlation 0.276 0.292 0.132
Anomalous slope 1.090
dF/F 0.063
dI/s(dI) 1.226
Total observations 325190 23046 405
Total unique 49118 3403 233
Looking at the resolution-dependent merging statistics, we can see that the completeness falls significantly beyond 1.4 Angstrom resolution. If desired, a resolution cutoff can be applied and the data rescaled (using the output of the previous scaling run as input to the next run to load the existing state of the scaling model):
dials.scale scaled.expt scaled.refl d_min=1.4
The merging statistics, as well as a number of scaling and merging plots, are
output into a html report called dials.scale.html.
This can be opened in your browser - nativigate to the section “scaling model plots” and take a look.
What is immediately apparent is the periodic nature of the scale term, with peaks
and troughs 90° apart. This indicates that the illuminated volume was changing
significantly during the experiment: a reflection would be measured as almost
twice as intense if it was measured at rotation angle of ~120° compared to at ~210°.
The absorption surface also shows a similar periodicity, as may be expected.
The relative B-factor shows low overall variation, suggesting little overall
radiation damage.
Once we are happy with the dataset quality, the final step of dials processing is to merge the data and produce a merged mtz file, suitable for input to downstream structure solution. To do this we can use the command:
dials.merge scaled.expt scaled.refl
The log output reports intensity statistics, the symmetry equivalent reflections are merged and a truncation procedure is performed, to give strictly positive merged structure factors (Fs) in addition to merged intensities.
HTML report¶
Much more information from the various steps of data processing can be found within an HTML report generated using the program dials.report. This is run simply with:
dials.report scaled.expt scaled.refl
which produces the file dials.report.html.
This report includes plots showing the scan-varying crystal orientation and unit cell parameters. The latter of these is useful to check that changes to the cell during processing appear reasonable. We can at least see from this and the low final refined RMSDs that this is a very well- behaved dataset.
Some of the most useful plots are
Difference between observed and calculated centroids vs phi, which shows how the average residuals in each of X, Y, and φ vary as a function of φ. If scan-varying refinement has been successful in capturing the real changes during the scan then we would expect these plots to be straight lines.
Centroid residuals in X and Y, in which the X, Y residuals are shown directly. The key point here is to look for a globular shape centred at the origin.
Difference between observed and calculated centroids in X and Y, which show the difference between predicted and observed reflection positions in either X or Y as functions of detector position. From these plots it is very easy to see whole tiles that are worse than their neighbours, and whether those tiles might be simply shifted or slightly rotated compared to the model detector.
Reflection and reference correlations binned in X/Y. These are useful companions to the plots of centroid residual as a function of detector position above. Whereas the above plots show systematic errors in the positions and orientations of tiles of a multi-panel detector, these plots indicate what effect that (and any other position-specific systematic error) has on the integrated data quality. The first of these plots shows the correlation between reflections and their reference profiles for all reflections in the dataset. The second shows only the correlations between the strong reference reflections and their profiles (thus these are expected to be higher and do not extend to such high resolution).
Distribution of I/Sigma vs Z. This reproduces the \(\frac{I}{\sigma_I}\) information versus frame number given in the log file in a graphical form. Here we see that \(\frac{I}{\sigma_I}\) is fairly flat over the whole dataset, which we might use as an indication that there were no bad frames, not much radiation damage occurred and that scale factors are likely to be fairly uniform.
Exporting to unmerged MTZ¶
It is possible that an unmerged mtz file is desired for further processing before
merging. To produce a scaled unmerged mtz file, one can use the dials.export
command on the scaled datafiles:
dials.export scaled.refl scaled.expt
It is also possible to export the integrated (unscaled) data in mtz
format using dials.export. If you have an installation of CCP4, symmetry
analysis and scaling can then be continued with the ccp4 programs
pointless, aimless and ctruncate to generate a merged mtz file:
dials.export integrated.refl integrated.expt
pointless hklin integrated.mtz hklout sorted.mtz > pointless.log
aimless hklin sorted.mtz hklout scaled.mtz > aimless.log << EOF
resolution 1.4
anomalous off
EOF
ctruncate -hklin scaled.mtz -hklout truncated.mtz \
-colin '/*/*/[IMEAN,SIGIMEAN]' > ctruncate.log
