This tutorial requires a DIALS 3 installation.
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 lactamase. 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.1103-gea4fc09a8
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:

https://dials.github.io/images/process_detail_betalactamase/image_viewer.png

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.1103-gea4fc09a8
  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
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669Found 1787 strong pixels on image 646
670Found 1727 strong pixels on image 647
671Found 1606 strong pixels on image 648
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 filestrong.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’.

https://dials.github.io/images/process_detail_betalactamase/image_viewer_spot.png

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
../../_images/reciprocal_lattice_strong.png

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.1103-gea4fc09a8
  2The following parameters have been modified:
  3
  4input {
  5  experiments = imported.expt
  6  reflections = strong.refl
  7}
  8
  9joint_indexing=True has been set for scans experiments
 10Found max_cell: 94.4 Angstrom
 11Setting d_min: 1.84
 12FFT gridding: (256,256,256)
 13Number of centroids used: 91203
 14Candidate solutions:
 15+----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------+
 16| unit_cell                        |   volume |   volume score |   #indexed |   % indexed |   % indexed score |   rmsd_xy |   rmsd_xy score |   overall score |
 17|----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------|
 18| 40.72 40.73 69.66 92.0 91.9 98.3 |   114154 |           0.01 |      94166 |          99 |              0    |      0.07 |            0    |            0.01 |
 19| 40.72 40.72 69.70 91.9 91.9 98.2 |   114243 |           0.01 |      94215 |          99 |              0    |      0.07 |            0    |            0.01 |
 20| 40.60 40.73 69.67 91.9 91.9 98.4 |   113803 |           0    |      93959 |          98 |              0.01 |      0.07 |            0.01 |            0.02 |
 21| 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 |
 22| 40.72 40.72 69.67 92.0 92.0 98.3 |   114144 |           0.01 |      94275 |          99 |              0    |      0.07 |            0.01 |            0.02 |
 23| 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 |
 24| 40.60 40.71 69.66 91.9 91.9 98.3 |   113784 |           0    |      93870 |          98 |              0.01 |      0.07 |            0.01 |            0.02 |
 25| 40.70 40.72 69.66 91.9 92.0 98.2 |   114124 |           0.01 |      94101 |          99 |              0    |      0.07 |            0.01 |            0.02 |
 26| 40.71 40.73 69.66 91.9 91.9 98.3 |   114140 |           0.01 |      94077 |          99 |              0    |      0.07 |            0.01 |            0.02 |
 27| 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 |
 28| 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 |
 29| 40.69 40.72 69.60 92.0 92.1 98.3 |   113958 |           0    |      93595 |          98 |              0.01 |      0.07 |            0.01 |            0.03 |
 30| 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 |
 31| 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 |
 32| 40.69 40.72 69.66 91.9 92.1 98.3 |   114065 |           0.01 |      94173 |          99 |              0    |      0.07 |            0.02 |            0.03 |
 33| 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 |
 34| 40.71 40.72 69.66 91.9 91.9 98.3 |   114109 |           0.01 |      94103 |          99 |              0    |      0.07 |            0.02 |            0.03 |
 35| 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 |
 36| 40.72 40.73 69.64 92.0 92.0 98.3 |   114113 |           0.01 |      94089 |          99 |              0    |      0.07 |            0.02 |            0.04 |
 37| 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 |
 38| 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 |
 39| 40.60 40.72 69.67 91.9 91.8 98.2 |   113865 |           0    |      93126 |          98 |              0.02 |      0.07 |            0.02 |            0.04 |
 40| 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 |
 41| 40.72 40.74 69.66 91.9 91.9 98.1 |   114275 |           0.01 |      94063 |          99 |              0    |      0.07 |            0.03 |            0.04 |
 42| 40.72 40.73 69.66 92.0 91.9 98.3 |   114151 |           0.01 |      94188 |          99 |              0    |      0.07 |            0.03 |            0.04 |
 43| 40.60 40.70 69.58 92.1 91.9 98.4 |   113599 |           0    |      93047 |          98 |              0.02 |      0.07 |            0.02 |            0.04 |
 44| 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 |
 45| 40.62 40.71 69.66 91.9 91.6 98.3 |   113880 |           0    |      93138 |          98 |              0.02 |      0.07 |            0.02 |            0.04 |
 46| 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 |
 47| 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 |
 48| 40.73 40.74 69.66 91.9 92.1 98.1 |   114266 |           0.01 |      94194 |          99 |              0    |      0.07 |            0.03 |            0.05 |
 49| 40.72 40.73 69.69 92.0 91.9 98.3 |   114199 |           0.01 |      94373 |          99 |              0    |      0.07 |            0.04 |            0.05 |
 50| 40.72 40.72 69.65 92.0 91.9 98.3 |   114110 |           0.01 |      94065 |          99 |              0    |      0.07 |            0.04 |            0.05 |
 51| 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 |
 52| 40.53 40.72 69.66 91.9 92.0 98.2 |   113637 |           0    |      93709 |          98 |              0.01 |      0.07 |            0.04 |            0.05 |
 53| 40.67 40.71 69.66 91.9 91.9 98.2 |   114013 |           0.01 |      94057 |          99 |              0    |      0.07 |            0.04 |            0.05 |
 54| 40.53 40.72 69.66 91.8 92.1 98.2 |   113621 |           0    |      92029 |          96 |              0.04 |      0.07 |            0.02 |            0.06 |
 55| 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 |
 56| 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 |
 57| 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 |
 58| 40.60 40.77 69.60 92.0 91.7 98.1 |   113913 |           0    |      92296 |          97 |              0.03 |      0.07 |            0.02 |            0.06 |
 59| 40.64 40.72 69.67 91.9 91.9 98.1 |   113990 |           0    |      93360 |          98 |              0.02 |      0.07 |            0.04 |            0.06 |
 60| 40.71 40.74 69.66 91.9 91.9 98.2 |   114207 |           0.01 |      94097 |          99 |              0    |      0.08 |            0.05 |            0.06 |
 61| 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 |
 62| 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 |
 63| 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 |
 64| 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 |
 65| 40.69 40.72 69.57 91.9 92.1 98.3 |   113906 |           0    |      92940 |          97 |              0.02 |      0.08 |            0.06 |            0.09 |
 66| 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  |
 67| 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 |
 68+----------------------------------+----------+----------------+------------+-------------+-------------------+-----------+-----------------+-----------------+
 69Using d_min_step 0.1
 70
 71Indexed crystal models:
 72model 1 (94166 reflections):
 73Crystal:
 74    Unit cell: 40.717, 40.730, 69.663, 91.978, 91.906, 98.339
 75    Space group: P 1
 76    U matrix:  {{ 0.8417,  0.5364,  0.0626},
 77                {-0.1836,  0.1751,  0.9673},
 78                { 0.5079, -0.8256,  0.2459}}
 79    B matrix:  {{ 0.0246,  0.0000,  0.0000},
 80                { 0.0036,  0.0248,  0.0000},
 81                { 0.0010,  0.0010,  0.0144}}
 82    A = UB:    {{ 0.0227,  0.0134,  0.0009},
 83                {-0.0029,  0.0053,  0.0139},
 84                { 0.0097, -0.0202,  0.0035}}
 85+------------+-------------+---------------+-------------+
 86|   Imageset |   # indexed |   # unindexed |   % indexed |
 87|------------+-------------+---------------+-------------|
 88|          0 |       94166 |          1262 |        98.7 |
 89+------------+-------------+---------------+-------------+
 90
 91################################################################################
 92Starting refinement (macro-cycle 1)
 93################################################################################
 94
 95
 96Summary statistics for 93816 observations matched to predictions:
 97+-------------------+--------+----------+---------+----------+-------+
 98|                   |    Min |       Q1 |     Med |       Q3 |   Max |
 99|-------------------+--------+----------+---------+----------+-------|
100| Xc - Xo (mm)      | -1.681 |  -0.4675 | -0.2047 |   0.3707 | 1.383 |
101| Yc - Yo (mm)      | -1.731 |  -0.6009 | -0.2953 | -0.00193 | 2.226 |
102| Phic - Phio (deg) | -1.707 | -0.08649 | 0.01357 |   0.1076 | 2.149 |
103| X weights         |  226.7 |      388 |   398.7 |    403.7 | 405.6 |
104| Y weights         |  211.5 |    373.8 |   393.2 |    402.4 | 405.6 |
105| Phi weights       |  39.33 |    47.93 |      48 |       48 |    48 |
106+-------------------+--------+----------+---------+----------+-------+
107
108Detecting centroid outliers using the Tukey algorithm
1093106 reflections have been flagged as outliers
11090710 reflections remain in the manager
111
112Summary statistics for 90710 observations matched to predictions:
113+-------------------+--------+----------+---------+----------+--------+
114|                   |    Min |       Q1 |     Med |       Q3 |    Max |
115|-------------------+--------+----------+---------+----------+--------|
116| Xc - Xo (mm)      | -1.681 |  -0.4729 | -0.2157 |   0.3737 |  1.383 |
117| Yc - Yo (mm)      | -1.583 |  -0.6121 | -0.3087 | -0.03742 |  1.006 |
118| Phic - Phio (deg) | -0.423 | -0.08685 | 0.01122 |   0.1031 | 0.4516 |
119| X weights         |  226.7 |    388.5 |   398.9 |    403.7 |  405.6 |
120| Y weights         |  211.5 |    374.3 |   393.6 |    402.6 |  405.6 |
121| Phi weights       |  39.33 |    47.94 |      48 |       48 |     48 |
122+-------------------+--------+----------+---------+----------+--------+
123
124There are 16 parameters to refine against 36000 reflections in 3 dimensions
125
126Refinement steps:
127+--------+--------+----------+----------+------------+
128|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
129|        |        |     (mm) |     (mm) |      (deg) |
130|--------+--------+----------+----------+------------|
131|      0 |  36000 | 0.56197  | 0.55131  |    0.13413 |
132|      1 |  36000 | 0.24338  | 0.26503  |    0.15575 |
133|      2 |  36000 | 0.10648  | 0.13198  |    0.13476 |
134|      3 |  36000 | 0.055785 | 0.059567 |    0.10888 |
135|      4 |  36000 | 0.051066 | 0.052336 |    0.10514 |
136|      5 |  36000 | 0.050906 | 0.052372 |    0.10505 |
137|      6 |  36000 | 0.050901 | 0.052378 |    0.10505 |
138+--------+--------+----------+----------+------------+
139RMSD no longer decreasing
140
141RMSDs by experiment:
142+-------+--------+----------+----------+------------+
143|   Exp |   Nref |   RMSD_X |   RMSD_Y |     RMSD_Z |
144|    id |        |     (px) |     (px) |   (images) |
145|-------+--------+----------+----------+------------|
146|     0 |  36000 |  0.29594 |  0.30452 |     0.2101 |
147+-------+--------+----------+----------+------------+
148
149Refined crystal models:
150model 1 (94166 reflections):
151Crystal:
152    Unit cell: 40.5519(7), 40.5591(7), 69.2964(13), 92.0155(4), 91.9752(4), 98.0783(4)
153    Space group: P 1
154    U matrix:  {{ 0.8429,  0.5343,  0.0638},
155                {-0.1841,  0.1750,  0.9672},
156                { 0.5056, -0.8270,  0.2459}}
157    B matrix:  {{ 0.0247,  0.0000,  0.0000},
158                { 0.0035,  0.0249,  0.0000},
159                { 0.0010,  0.0010,  0.0145}}
160    A = UB:    {{ 0.0227,  0.0134,  0.0009},
161                {-0.0030,  0.0053,  0.0140},
162                { 0.0098, -0.0203,  0.0036}}
163+------------+-------------+---------------+-------------+
164|   Imageset |   # indexed |   # unindexed |   % indexed |
165|------------+-------------+---------------+-------------|
166|          0 |       94166 |          1262 |        98.7 |
167+------------+-------------+---------------+-------------+
168Increasing resolution to 1.71 Angstrom
169
170Indexed crystal models:
171model 1 (101813 reflections):
172Crystal:
173    Unit cell: 40.5519(7), 40.5591(7), 69.2964(13), 92.0155(4), 91.9752(4), 98.0783(4)
174    Space group: P 1
175    U matrix:  {{ 0.8429,  0.5343,  0.0638},
176                {-0.1841,  0.1750,  0.9672},
177                { 0.5056, -0.8270,  0.2459}}
178    B matrix:  {{ 0.0247,  0.0000,  0.0000},
179                { 0.0035,  0.0249,  0.0000},
180                { 0.0010,  0.0010,  0.0145}}
181    A = UB:    {{ 0.0227,  0.0134,  0.0009},
182                {-0.0030,  0.0053,  0.0140},
183                { 0.0098, -0.0203,  0.0036}}
184+------------+-------------+---------------+-------------+
185|   Imageset |   # indexed |   # unindexed |   % indexed |
186|------------+-------------+---------------+-------------|
187|          0 |      102009 |           413 |        99.6 |
188+------------+-------------+---------------+-------------+
189
190################################################################################
191Starting refinement (macro-cycle 2)
192################################################################################
193
194
195Summary statistics for 101460 observations matched to predictions:
196+-------------------+---------+----------+------------+---------+--------+
197|                   |     Min |       Q1 |        Med |      Q3 |    Max |
198|-------------------+---------+----------+------------+---------+--------|
199| Xc - Xo (mm)      | -0.3659 | -0.03707 |  -0.002529 | 0.03158 | 0.3623 |
200| Yc - Yo (mm)      | -0.8234 | -0.03127 | -0.0002209 | 0.03123 | 0.9301 |
201| Phic - Phio (deg) | -0.8541 |  -0.0814 |  0.0005383 | 0.08299 |  1.311 |
202| X weights         |   226.7 |    384.8 |      397.6 |   403.4 |  405.6 |
203| Y weights         |   173.8 |    369.2 |        391 |   401.9 |  405.6 |
204| Phi weights       |   39.33 |    47.94 |         48 |      48 |     48 |
205+-------------------+---------+----------+------------+---------+--------+
206
207Detecting centroid outliers using the Tukey algorithm
2084886 reflections have been flagged as outliers
20996574 reflections remain in the manager
210
211Summary statistics for 96574 observations matched to predictions:
212+-------------------+---------+----------+-----------+---------+--------+
213|                   |     Min |       Q1 |       Med |      Q3 |    Max |
214|-------------------+---------+----------+-----------+---------+--------|
215| Xc - Xo (mm)      | -0.1672 | -0.03646 | -0.002887 | 0.03019 |  0.159 |
216| Yc - Yo (mm)      | -0.1632 | -0.03001 | -0.000363 | 0.02939 | 0.1893 |
217| Phic - Phio (deg) | -0.3509 | -0.08067 | 0.0001275 | 0.08135 | 0.3266 |
218| X weights         |   226.7 |    386.4 |     398.2 |   403.6 |  405.6 |
219| Y weights         |   211.5 |    371.9 |     392.3 |   402.2 |  405.6 |
220| Phi weights       |   40.76 |    47.94 |        48 |      48 |     48 |
221+-------------------+---------+----------+-----------+---------+--------+
222
223There are 16 parameters to refine against 36000 reflections in 3 dimensions
224
225Refinement steps:
226+--------+--------+----------+----------+------------+
227|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
228|        |        |     (mm) |     (mm) |      (deg) |
229|--------+--------+----------+----------+------------|
230|      0 |  36000 | 0.048834 | 0.046981 |    0.10531 |
231|      1 |  36000 | 0.048722 | 0.046957 |    0.10525 |
232|      2 |  36000 | 0.048696 | 0.04698  |    0.10522 |
233|      3 |  36000 | 0.048684 | 0.046993 |    0.1052  |
234|      4 |  36000 | 0.048681 | 0.046997 |    0.1052  |
235+--------+--------+----------+----------+------------+
236RMSD no longer decreasing
237
238RMSDs by experiment:
239+-------+--------+----------+----------+------------+
240|   Exp |   Nref |   RMSD_X |   RMSD_Y |     RMSD_Z |
241|    id |        |     (px) |     (px) |   (images) |
242|-------+--------+----------+----------+------------|
243|     0 |  36000 |  0.28303 |  0.27324 |     0.2104 |
244+-------+--------+----------+----------+------------+
245
246Refined crystal models:
247model 1 (101813 reflections):
248Crystal:
249    Unit cell: 40.5520(6), 40.5588(6), 69.2953(10), 92.0189(4), 91.9731(4), 98.0772(4)
250    Space group: P 1
251    U matrix:  {{ 0.8429,  0.5343,  0.0638},
252                {-0.1841,  0.1749,  0.9672},
253                { 0.5056, -0.8270,  0.2458}}
254    B matrix:  {{ 0.0247,  0.0000,  0.0000},
255                { 0.0035,  0.0249,  0.0000},
256                { 0.0010,  0.0010,  0.0145}}
257    A = UB:    {{ 0.0227,  0.0134,  0.0009},
258                {-0.0030,  0.0053,  0.0140},
259                { 0.0098, -0.0203,  0.0036}}
260+------------+-------------+---------------+-------------+
261|   Imageset |   # indexed |   # unindexed |   % indexed |
262|------------+-------------+---------------+-------------|
263|          0 |      101813 |           609 |        99.4 |
264+------------+-------------+---------------+-------------+
265Increasing resolution to 1.57 Angstrom
266
267Indexed crystal models:
268model 1 (105712 reflections):
269Crystal:
270    Unit cell: 40.5520(6), 40.5588(6), 69.2953(10), 92.0189(4), 91.9731(4), 98.0772(4)
271    Space group: P 1
272    U matrix:  {{ 0.8429,  0.5343,  0.0638},
273                {-0.1841,  0.1749,  0.9672},
274                { 0.5056, -0.8270,  0.2458}}
275    B matrix:  {{ 0.0247,  0.0000,  0.0000},
276                { 0.0035,  0.0249,  0.0000},
277                { 0.0010,  0.0010,  0.0145}}
278    A = UB:    {{ 0.0227,  0.0134,  0.0009},
279                {-0.0030,  0.0053,  0.0140},
280                { 0.0098, -0.0203,  0.0036}}
281+------------+-------------+---------------+-------------+
282|   Imageset |   # indexed |   # unindexed |   % indexed |
283|------------+-------------+---------------+-------------|
284|          0 |      105724 |           686 |        99.4 |
285+------------+-------------+---------------+-------------+
286
287################################################################################
288Starting refinement (macro-cycle 3)
289################################################################################
290
291
292Summary statistics for 105342 observations matched to predictions:
293+-------------------+---------+----------+------------+---------+--------+
294|                   |     Min |       Q1 |        Med |      Q3 |    Max |
295|-------------------+---------+----------+------------+---------+--------|
296| Xc - Xo (mm)      | -0.3602 | -0.03583 | -0.0009226 | 0.03338 | 0.3599 |
297| Yc - Yo (mm)      |  -1.133 | -0.03272 | -0.0005848 | 0.03157 |  1.468 |
298| Phic - Phio (deg) |  -0.988 | -0.08148 |   0.001034 | 0.08422 |  1.291 |
299| X weights         |   210.9 |    382.8 |      397.1 |   403.3 |  405.6 |
300| Y weights         |   173.8 |    366.4 |      389.9 |   401.7 |  405.6 |
301| Phi weights       |   39.29 |    47.95 |         48 |      48 |     48 |
302+-------------------+---------+----------+------------+---------+--------+
303
304Detecting centroid outliers using the Tukey algorithm
3055469 reflections have been flagged as outliers
30699873 reflections remain in the manager
307
308Summary statistics for 99873 observations matched to predictions:
309+-------------------+---------+----------+------------+---------+--------+
310|                   |     Min |       Q1 |        Med |      Q3 |    Max |
311|-------------------+---------+----------+------------+---------+--------|
312| Xc - Xo (mm)      | -0.1752 | -0.03485 |   -0.00104 | 0.03209 | 0.1659 |
313| Yc - Yo (mm)      | -0.1713 | -0.03096 | -0.0005444 | 0.02996 |  0.198 |
314| Phic - Phio (deg) | -0.3535 | -0.08055 |  0.0006649 | 0.08254 | 0.3272 |
315| X weights         |   210.9 |    384.7 |      397.7 |   403.4 |  405.6 |
316| Y weights         |   211.5 |    369.5 |      391.3 |     402 |  405.6 |
317| Phi weights       |   39.29 |    47.94 |         48 |      48 |     48 |
318+-------------------+---------+----------+------------+---------+--------+
319
320There are 16 parameters to refine against 36000 reflections in 3 dimensions
321
322Refinement steps:
323+--------+--------+----------+----------+------------+
324|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
325|        |        |     (mm) |     (mm) |      (deg) |
326|--------+--------+----------+----------+------------|
327|      0 |  36000 | 0.049172 | 0.04859  |    0.10641 |
328|      1 |  36000 | 0.049153 | 0.04854  |    0.10638 |
329|      2 |  36000 | 0.049152 | 0.048515 |    0.10639 |
330|      3 |  36000 | 0.049155 | 0.048503 |    0.1064  |
331|      4 |  36000 | 0.049156 | 0.0485   |    0.1064  |
332+--------+--------+----------+----------+------------+
333RMSD no longer decreasing
334
335RMSDs by experiment:
336+-------+--------+----------+----------+------------+
337|   Exp |   Nref |   RMSD_X |   RMSD_Y |     RMSD_Z |
338|    id |        |     (px) |     (px) |   (images) |
339|-------+--------+----------+----------+------------|
340|     0 |  36000 |  0.28579 |  0.28197 |    0.21281 |
341+-------+--------+----------+----------+------------+
342
343Refined crystal models:
344model 1 (105712 reflections):
345Crystal:
346    Unit cell: 40.5519(5), 40.5583(5), 69.2938(9), 92.0190(3), 91.9725(3), 98.0761(4)
347    Space group: P 1
348    U matrix:  {{ 0.8429,  0.5343,  0.0638},
349                {-0.1841,  0.1749,  0.9672},
350                { 0.5056, -0.8270,  0.2458}}
351    B matrix:  {{ 0.0247,  0.0000,  0.0000},
352                { 0.0035,  0.0249,  0.0000},
353                { 0.0010,  0.0010,  0.0145}}
354    A = UB:    {{ 0.0227,  0.0134,  0.0009},
355                {-0.0030,  0.0053,  0.0140},
356                { 0.0098, -0.0203,  0.0036}}
357+------------+-------------+---------------+-------------+
358|   Imageset |   # indexed |   # unindexed |   % indexed |
359|------------+-------------+---------------+-------------|
360|          0 |      105712 |           698 |        99.3 |
361+------------+-------------+---------------+-------------+
362Increasing resolution to 1.43 Angstrom
363
364Indexed crystal models:
365model 1 (107089 reflections):
366Crystal:
367    Unit cell: 40.5519(5), 40.5583(5), 69.2938(9), 92.0190(3), 91.9725(3), 98.0761(4)
368    Space group: P 1
369    U matrix:  {{ 0.8429,  0.5343,  0.0638},
370                {-0.1841,  0.1749,  0.9672},
371                { 0.5056, -0.8270,  0.2458}}
372    B matrix:  {{ 0.0247,  0.0000,  0.0000},
373                { 0.0035,  0.0249,  0.0000},
374                { 0.0010,  0.0010,  0.0145}}
375    A = UB:    {{ 0.0227,  0.0134,  0.0009},
376                {-0.0030,  0.0053,  0.0140},
377                { 0.0098, -0.0203,  0.0036}}
378+------------+-------------+---------------+-------------+
379|   Imageset |   # indexed |   # unindexed |   % indexed |
380|------------+-------------+---------------+-------------|
381|          0 |      107097 |           723 |        99.3 |
382+------------+-------------+---------------+-------------+
383
384################################################################################
385Starting refinement (macro-cycle 4)
386################################################################################
387
388
389Summary statistics for 106715 observations matched to predictions:
390+-------------------+---------+----------+------------+---------+--------+
391|                   |     Min |       Q1 |        Med |      Q3 |    Max |
392|-------------------+---------+----------+------------+---------+--------|
393| Xc - Xo (mm)      |  -1.939 |   -0.036 | -0.0006477 | 0.03379 | 0.3619 |
394| Yc - Yo (mm)      |  -1.114 | -0.03302 | -0.0004506 | 0.03208 |  1.479 |
395| Phic - Phio (deg) | -0.9716 | -0.08205 |  0.0008108 | 0.08438 |  1.301 |
396| X weights         |     194 |      382 |      396.8 |   403.2 |  405.6 |
397| Y weights         |   173.5 |    365.2 |      389.4 |   401.6 |  405.6 |
398| Phi weights       |   39.29 |    47.95 |         48 |      48 |     48 |
399+-------------------+---------+----------+------------+---------+--------+
400
401Detecting centroid outliers using the Tukey algorithm
4025604 reflections have been flagged as outliers
403101111 reflections remain in the manager
404
405Summary statistics for 101111 observations matched to predictions:
406+-------------------+---------+----------+------------+---------+--------+
407|                   |     Min |       Q1 |        Med |      Q3 |    Max |
408|-------------------+---------+----------+------------+---------+--------|
409| Xc - Xo (mm)      | -0.1747 | -0.03501 | -0.0007897 | 0.03243 | 0.1648 |
410| Yc - Yo (mm)      | -0.1716 | -0.03118 | -0.0004102 | 0.03034 | 0.1979 |
411| Phic - Phio (deg) | -0.3525 | -0.08096 |  0.0004804 | 0.08264 | 0.3495 |
412| X weights         |   210.9 |      384 |      397.6 |   403.4 |  405.6 |
413| Y weights         |   191.7 |    368.6 |      390.9 |   401.9 |  405.6 |
414| Phi weights       |   39.29 |    47.95 |         48 |      48 |     48 |
415+-------------------+---------+----------+------------+---------+--------+
416
417There are 16 parameters to refine against 36000 reflections in 3 dimensions
418
419Refinement steps:
420+--------+--------+----------+----------+------------+
421|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
422|        |        |     (mm) |     (mm) |      (deg) |
423|--------+--------+----------+----------+------------|
424|      0 |  36000 | 0.049499 | 0.048536 |    0.1067  |
425|      1 |  36000 | 0.049483 | 0.048491 |    0.10673 |
426|      2 |  36000 | 0.049474 | 0.048479 |    0.10676 |
427|      3 |  36000 | 0.049473 | 0.048472 |    0.10677 |
428|      4 |  36000 | 0.049473 | 0.04847  |    0.10677 |
429+--------+--------+----------+----------+------------+
430RMSD no longer decreasing
431
432RMSDs by experiment:
433+-------+--------+----------+----------+------------+
434|   Exp |   Nref |   RMSD_X |   RMSD_Y |     RMSD_Z |
435|    id |        |     (px) |     (px) |   (images) |
436|-------+--------+----------+----------+------------|
437|     0 |  36000 |  0.28764 |   0.2818 |    0.21355 |
438+-------+--------+----------+----------+------------+
439
440Refined crystal models:
441model 1 (107089 reflections):
442Crystal:
443    Unit cell: 40.5513(5), 40.5578(5), 69.2911(8), 92.0192(3), 91.9728(3), 98.0758(4)
444    Space group: P 1
445    U matrix:  {{ 0.8429,  0.5343,  0.0638},
446                {-0.1841,  0.1749,  0.9672},
447                { 0.5056, -0.8270,  0.2458}}
448    B matrix:  {{ 0.0247,  0.0000,  0.0000},
449                { 0.0035,  0.0249,  0.0000},
450                { 0.0010,  0.0010,  0.0145}}
451    A = UB:    {{ 0.0227,  0.0134,  0.0009},
452                {-0.0030,  0.0053,  0.0140},
453                { 0.0098, -0.0203,  0.0036}}
454+------------+-------------+---------------+-------------+
455|   Imageset |   # indexed |   # unindexed |   % indexed |
456|------------+-------------+---------------+-------------|
457|          0 |      107089 |           731 |        99.3 |
458+------------+-------------+---------------+-------------+
459Increasing resolution to 1.29 Angstrom
460
461Indexed crystal models:
462model 1 (107264 reflections):
463Crystal:
464    Unit cell: 40.5513(5), 40.5578(5), 69.2911(8), 92.0192(3), 91.9728(3), 98.0758(4)
465    Space group: P 1
466    U matrix:  {{ 0.8429,  0.5343,  0.0638},
467                {-0.1841,  0.1749,  0.9672},
468                { 0.5056, -0.8270,  0.2458}}
469    B matrix:  {{ 0.0247,  0.0000,  0.0000},
470                { 0.0035,  0.0249,  0.0000},
471                { 0.0010,  0.0010,  0.0145}}
472    A = UB:    {{ 0.0227,  0.0134,  0.0009},
473                {-0.0030,  0.0053,  0.0140},
474                { 0.0098, -0.0203,  0.0036}}
475+------------+-------------+---------------+-------------+
476|   Imageset |   # indexed |   # unindexed |   % indexed |
477|------------+-------------+---------------+-------------|
478|          0 |      107277 |           720 |        99.3 |
479+------------+-------------+---------------+-------------+
480
481################################################################################
482Starting refinement (macro-cycle 5)
483################################################################################
484
485
486Summary statistics for 106891 observations matched to predictions:
487+-------------------+---------+----------+------------+---------+--------+
488|                   |     Min |       Q1 |        Med |      Q3 |    Max |
489|-------------------+---------+----------+------------+---------+--------|
490| Xc - Xo (mm)      |  -1.937 | -0.03563 | -0.0001711 | 0.03425 | 0.3641 |
491| Yc - Yo (mm)      |  -1.104 | -0.03295 | -0.0004634 |  0.0322 |  1.517 |
492| Phic - Phio (deg) | -0.9614 | -0.08213 |  0.0006723 | 0.08443 |  1.308 |
493| X weights         |     194 |    381.9 |      396.8 |   403.2 |  405.6 |
494| Y weights         |   143.8 |    365.1 |      389.4 |   401.6 |  405.6 |
495| Phi weights       |   39.29 |    47.95 |         48 |      48 |     48 |
496+-------------------+---------+----------+------------+---------+--------+
497
498Detecting centroid outliers using the Tukey algorithm
4995626 reflections have been flagged as outliers
500101265 reflections remain in the manager
501
502Summary statistics for 101265 observations matched to predictions:
503+-------------------+---------+----------+------------+---------+--------+
504|                   |     Min |       Q1 |        Med |      Q3 |    Max |
505|-------------------+---------+----------+------------+---------+--------|
506| Xc - Xo (mm)      | -0.1732 |  -0.0347 | -0.0003111 | 0.03288 | 0.1637 |
507| Yc - Yo (mm)      | -0.1724 | -0.03122 | -0.0004946 | 0.03034 |  0.201 |
508| Phic - Phio (deg) | -0.3539 | -0.08118 |  0.0003692 | 0.08282 | 0.3509 |
509| X weights         |   210.9 |    383.9 |      397.5 |   403.4 |  405.6 |
510| Y weights         |   143.8 |    368.4 |      390.9 |   401.9 |  405.6 |
511| Phi weights       |   39.29 |    47.95 |         48 |      48 |     48 |
512+-------------------+---------+----------+------------+---------+--------+
513
514There are 16 parameters to refine against 36000 reflections in 3 dimensions
515
516Refinement steps:
517+--------+--------+----------+----------+------------+
518|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
519|        |        |     (mm) |     (mm) |      (deg) |
520|--------+--------+----------+----------+------------|
521|      0 |  36000 | 0.049518 | 0.04852  |    0.10693 |
522|      1 |  36000 | 0.049498 | 0.048528 |    0.10688 |
523|      2 |  36000 | 0.049495 | 0.048535 |    0.10686 |
524|      3 |  36000 | 0.049494 | 0.048537 |    0.10686 |
525+--------+--------+----------+----------+------------+
526RMSD no longer decreasing
527
528RMSDs by experiment:
529+-------+--------+----------+----------+------------+
530|   Exp |   Nref |   RMSD_X |   RMSD_Y |     RMSD_Z |
531|    id |        |     (px) |     (px) |   (images) |
532|-------+--------+----------+----------+------------|
533|     0 |  36000 |  0.28776 |  0.28219 |    0.21371 |
534+-------+--------+----------+----------+------------+
535
536Refined crystal models:
537model 1 (107264 reflections):
538Crystal:
539    Unit cell: 40.5519(5), 40.5585(5), 69.2922(8), 92.0198(3), 91.9722(3), 98.0759(4)
540    Space group: P 1
541    U matrix:  {{ 0.8429,  0.5343,  0.0638},
542                {-0.1841,  0.1749,  0.9672},
543                { 0.5056, -0.8270,  0.2458}}
544    B matrix:  {{ 0.0247,  0.0000,  0.0000},
545                { 0.0035,  0.0249,  0.0000},
546                { 0.0010,  0.0010,  0.0145}}
547    A = UB:    {{ 0.0227,  0.0134,  0.0009},
548                {-0.0030,  0.0053,  0.0140},
549                { 0.0098, -0.0203,  0.0036}}
550+------------+-------------+---------------+-------------+
551|   Imageset |   # indexed |   # unindexed |   % indexed |
552|------------+-------------+---------------+-------------|
553|          0 |      107264 |           733 |        99.3 |
554+------------+-------------+---------------+-------------+
555Saving refined experiments to indexed.expt
556Saving 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:

10Found max_cell: 94.4 Angstrom
11Setting d_min: 1.84
12FFT 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:

127+--------+--------+----------+----------+------------+
128|   Step |   Nref |   RMSD_X |   RMSD_Y |   RMSD_Phi |
129|        |        |     (mm) |     (mm) |      (deg) |
130|--------+--------+----------+----------+------------|
131|      0 |  36000 | 0.56197  | 0.55131  |    0.13413 |
132|      1 |  36000 | 0.24338  | 0.26503  |    0.15575 |
133|      2 |  36000 | 0.10648  | 0.13198  |    0.13476 |
134|      3 |  36000 | 0.055785 | 0.059567 |    0.10888 |
135|      4 |  36000 | 0.051066 | 0.052336 |    0.10514 |
136|      5 |  36000 | 0.050906 | 0.052372 |    0.10505 |
137|      6 |  36000 | 0.050901 | 0.052378 |    0.10505 |
138+--------+--------+----------+----------+------------+

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:

550+------------+-------------+---------------+-------------+
551|   Imageset |   # indexed |   # unindexed |   % indexed |
552|------------+-------------+---------------+-------------|
553|          0 |      107264 |           733 |        99.3 |
554+------------+-------------+---------------+-------------+

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:

../../_images/reciprocal_lattice_indexed.png

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.1103-gea4fc09a8
  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=72
 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:

../../_images/scan_varying.png

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.1103-gea4fc09a8
   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                           : 134.6 GB
 137  Maximum memory for processing                     : 121.1 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         | 58.06 seconds |
 850| Extract time      | 0.57 seconds  |
 851| Pre-process time  | 0.12 seconds  |
 852| Process time      | 29.01 seconds |
 853| Post-process time | 0.00 seconds  |
 854| Total time        | 88.05 seconds |
 855+-------------------+---------------+
 856
 857================================================================================
 858
 859Integrating reflections
 860
 861 Split 109 reflections overlapping job boundaries
 862
 863Memory situation report:
 864  Available system memory                           : 134.6 GB
 865  Maximum memory for processing                     : 121.1 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         | 64.00 seconds  |
1706| Extract time      | 2.53 seconds   |
1707| Pre-process time  | 0.50 seconds   |
1708| Process time      | 148.62 seconds |
1709| Post-process time | 0.00 seconds   |
1710| Total time        | 216.56 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

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  1DIALS 3.dev.1103-gea4fc09a8
  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

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  1DIALS 3.dev.1103-gea4fc09a8
  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 3.62
 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 1.07
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 3.66
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 1.14
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: 19.7521s 
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