Command line arguments: --bins=1 ./4-8-(GlcNAc)5/output4-8.sca

Note: Intensity array has been converted to an amplitude array.

Summary 1

Miller array info: 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-)
Observation type: xray.amplitude
Type of data: double, size=43869
Type of sigmas: double, size=43869
Number of Miller indices: 43869
Anomalous flag: True
Unit cell: (56.573, 73.781, 89.414, 90, 90, 90)
Space group: P 21 21 21 (No. 19)
Systematic absences: 0
Centric reflections: 3006
Resolution range: 31.6787 1.91132
Completeness in resolution range: 0.783333
Completeness with d_max=infinity: 0.783193
Anomalous completeness in resolution range: 0.599544
Bijvoet pairs: 15786
Lone Bijvoet mates: 9291
Mean anomalous difference: 0.0671

Space group of the intensities: P 2 2 2
Space group of the metric:      P m m m
  Tolerance used in the determination of the
  lattice symmetry: 3 degrees
Possible twin laws: None

Completeness of 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):
unused:         - 31.6830 [    0/9    ] 0.000
bin  1: 31.6830 -  1.9113 [28083/29673] 0.946
unused:  1.9113 -         [    0/0    ]

Patterson peaks for 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):
      Fractional coordinates     Height  Distance from origin
    0.0000   0.0000   0.0000    198.346     0.000
   -0.0000   0.0634   0.0000      9.011     4.680
    0.0333   0.0583   0.0000      8.773     4.699
    0.0444   0.0500   0.0139      6.906     4.634

Perfect merohedral twinning test for 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):
<I^2>/(<I>)^2 (2.0 for untwinned, 1.5 for twinned data)
(<F>)^2/<F^2> (0.785 for untwinned, 0.885 for twinned data)
See also: http://www.doe-mbi.ucla.edu/Services/Twinning/intro.html
unused:         - 31.6830 [   0/2   ]                
bin  1: 31.6830 -  5.9263 [1537/1544]  2.4201  0.7549
bin  2:  5.9263 -  4.7089 [1671/1672]  2.1869  0.7652
bin  3:  4.7089 -  4.1151 [1672/1686]  2.0602  0.7783
bin  4:  4.1151 -  3.7395 [1681/1706]  2.1011  0.7793
bin  5:  3.7395 -  3.4718 [1702/1740]  1.8832  0.7906
bin  6:  3.4718 -  3.2673 [1730/1732]  2.1543  0.7783
bin  7:  3.2673 -  3.1039 [1722/1726]  2.1723  0.7773
bin  8:  3.1039 -  2.9689 [1759/1760]  2.1246  0.7865
bin  9:  2.9689 -  2.8546 [1729/1748]  2.0379  0.7997
bin 10:  2.8546 -  2.7562 [1702/1760]  2.0832  0.7785
bin 11:  2.7562 -  2.6701 [1741/1754]  2.1129  0.7756
bin 12:  2.6701 -  2.5938 [1726/1756]  1.9589  0.7972
bin 13:  2.5938 -  2.5255 [1715/1764]  2.0460  0.7838
bin 14:  2.5255 -  2.4639 [1689/1768]  2.0133  0.7725
bin 15:  2.4639 -  2.4079 [1640/1794]  2.0351  0.7749
bin 16:  2.4079 -  2.3567 [1567/1752]  2.0819  0.7693
bin 17:  2.3567 -  2.3096 [1501/1794]  1.9758  0.7777
bin 18:  2.3096 -  2.2660 [1330/1752]  2.1823  0.7164
bin 19:  2.2660 -  2.2255 [ 784/1796]  2.9568  0.5396
bin 20:  2.2255 -  2.1878 [1150/1746]  2.1868  0.6964
bin 21:  2.1878 -  2.1525 [1145/1800]  2.0274  0.7720
bin 22:  2.1525 -  2.1194 [1064/1788]  1.9434  0.7672
bin 23:  2.1194 -  2.0883 [1041/1780]  2.0206  0.7574
bin 24:  2.0883 -  2.0589 [ 971/1780]  1.7667  0.8173
bin 25:  2.0589 -  2.0310 [ 964/1792]  2.1210  0.7233
bin 26:  2.0310 -  2.0047 [ 941/1798]  2.0437  0.7630
bin 27:  2.0047 -  1.9796 [ 884/1784]  1.9823  0.7591
bin 28:  1.9796 -  1.9558 [ 836/1754]  2.3552  0.6827
bin 29:  1.9558 -  1.9330 [ 774/1806]  1.9806  0.7071
bin 30:  1.9330 -  1.9113 [ 495/1828]  4.0399  0.3388
unused:  1.9113 -         [   0/0   ]                
                             average:  2.1685  0.7427

Anomalous signal of 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):
Get the anomalous signal according to this formula:

    .. math::
       \sqrt{\dfrac{<||F(+)|-|F(-)||^2>}{\frac{1}{2} (<|F(+)|>^2 + <|F(-)|>^2)}}

    :param use_binning: If 'True' the anomalous signal will be calculated for     each bin of the data set individually
    :type use_binning: boolean
    :returns: the anomalous signal
    :rtype: float or cctbx.miller.binned_data
    
unused:         - 31.6830 [    0/10   ]  0.0000
bin  1: 31.6830 -  1.9113 [43869/56003]  0.0671
unused:  1.9113 -         [    0/0    ]  0.0000

Observed measurabilities of 4-8-(GlcNAc)5/output4-8.sca:I(+),SIGI(+),I(-),SIGI(-):
Fraction of reflections for which
    (:math:`\dfrac{|\Delta I|}{\sigma_{dI}}` > 3 and
    :math:`min(\dfrac{I_{+}}{\sigma_{+}},\dfrac{I_{-}}{\sigma_{-}})` > 3
    
unused:         - 31.6830 [    0/10   ]
bin  1: 31.6830 -  1.9113 [43869/56003]  0.0265
unused:  1.9113 -         [    0/0    ]

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