Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb989c8651ce09ec74e47e6d9d511361",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.443,
"b": 112.896,
"c": 189.009,
"alpha": 90.00,
"beta": 91.06,
"gamma": 90.00
},
"wavelengths": [0.97629],
"diffraction_limits_estimated": {
"eigenvalues": [2.05700, 2.43500, 2.36300],
"eigenvectors": [
[0.77918, 0.00000, -0.62678],
[0.00000, 1.00000, 0.00000],
[0.62678, 0.00000, 0.77918]
]
},
"signal_type": "local <I/sigmaI>",
"signal_cutoff": 1.20,
"anisotropic_diffraction": true,
"overall_refln_statistics": {
"resolution_limits": [104.204,2.062],
"number_observations": 1310724,
"number_observations_unique": 184428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1266
},
{
"type": "R(meas)",
"value": 0.1366
},
{
"type": "R(pim)",
"value": 0.0507
},
{
"type": "I/SigI",
"value": 9.89
},
{
"type": "CompletenessSpherical",
"value": 68.5
},
{
"type": "CompletenessEllipsoidal",
"value": 91.3
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAnoSpherical",
"value": 68.1
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 91.2
},
{
"type": "RedundancyAno",
"value": 3.62
},
{
"type": "CC(ano)",
"value": -0.063
},
{
"type": "SigAno",
"value": 0.753
}
]
},
"refln_shells": [
{
"resolution_limits": [104.204,6.411],
"number_observations": 68094,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0384
},
{
"type": "R(meas)",
"value": 0.0413
},
{
"type": "R(pim)",
"value": 0.0151
},
{
"type": "I/SigI",
"value": 31.26
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.38
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAnoSpherical",
"value": 99.8
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.8
},
{
"type": "RedundancyAno",
"value": 3.86
},
{
"type": "CC(ano)",
"value": -0.131
},
{
"type": "SigAno",
"value": 0.731
}
]
},
{
"resolution_limits": [6.411,5.074],
"number_observations": 59858,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0604
},
{
"type": "R(meas)",
"value": 0.0658
},
{
"type": "R(pim)",
"value": 0.0257
},
{
"type": "I/SigI",
"value": 21.90
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.49
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.32
},
{
"type": "CC(ano)",
"value": -0.129
},
{
"type": "SigAno",
"value": 0.809
}
]
},
{
"resolution_limits": [5.074,4.424],
"number_observations": 66226,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0547
},
{
"type": "R(meas)",
"value": 0.0589
},
{
"type": "R(pim)",
"value": 0.0218
},
{
"type": "I/SigI",
"value": 25.89
},
{
"type": "CompletenessSpherical",
"value": 99.9
},
{
"type": "CompletenessEllipsoidal",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.66
},
{
"type": "CC(ano)",
"value": -0.107
},
{
"type": "SigAno",
"value": 0.804
}
]
},
{
"resolution_limits": [4.424,4.016],
"number_observations": 67966,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0649
},
{
"type": "R(meas)",
"value": 0.0698
},
{
"type": "R(pim)",
"value": 0.0255
},
{
"type": "I/SigI",
"value": 23.24
},
{
"type": "CompletenessSpherical",
"value": 99.8
},
{
"type": "CompletenessEllipsoidal",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.37
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.75
},
{
"type": "CC(ano)",
"value": -0.111
},
{
"type": "SigAno",
"value": 0.806
}
]
},
{
"resolution_limits": [4.016,3.697],
"number_observations": 66513,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0801
},
{
"type": "R(meas)",
"value": 0.0863
},
{
"type": "R(pim)",
"value": 0.0318
},
{
"type": "I/SigI",
"value": 19.15
},
{
"type": "CompletenessSpherical",
"value": 89.6
},
{
"type": "CompletenessEllipsoidal",
"value": 89.6
},
{
"type": "Redundancy",
"value": 7.21
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAnoSpherical",
"value": 89.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 89.0
},
{
"type": "RedundancyAno",
"value": 3.69
},
{
"type": "CC(ano)",
"value": -0.092
},
{
"type": "SigAno",
"value": 0.773
}
]
},
{
"resolution_limits": [3.697,3.411],
"number_observations": 62918,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1042
},
{
"type": "R(meas)",
"value": 0.1127
},
{
"type": "R(pim)",
"value": 0.0423
},
{
"type": "I/SigI",
"value": 14.60
},
{
"type": "CompletenessSpherical",
"value": 72.0
},
{
"type": "CompletenessEllipsoidal",
"value": 72.0
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAnoSpherical",
"value": 70.1
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 70.1
},
{
"type": "RedundancyAno",
"value": 3.54
},
{
"type": "CC(ano)",
"value": -0.071
},
{
"type": "SigAno",
"value": 0.800
}
]
},
{
"resolution_limits": [3.411,3.250],
"number_observations": 68475,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1406
},
{
"type": "R(meas)",
"value": 0.1510
},
{
"type": "R(pim)",
"value": 0.0549
},
{
"type": "I/SigI",
"value": 11.64
},
{
"type": "CompletenessSpherical",
"value": 99.7
},
{
"type": "CompletenessEllipsoidal",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.43
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAnoSpherical",
"value": 99.5
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.5
},
{
"type": "RedundancyAno",
"value": 3.77
},
{
"type": "CC(ano)",
"value": -0.051
},
{
"type": "SigAno",
"value": 0.772
}
]
},
{
"resolution_limits": [3.250,3.116],
"number_observations": 61684,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1778
},
{
"type": "R(meas)",
"value": 0.1931
},
{
"type": "R(pim)",
"value": 0.0744
},
{
"type": "I/SigI",
"value": 8.74
},
{
"type": "CompletenessSpherical",
"value": 99.6
},
{
"type": "CompletenessEllipsoidal",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.69
},
{
"type": "CC(1/2)",
"value": 0.986
},
{
"type": "CompletenessAnoSpherical",
"value": 99.2
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 3.40
},
{
"type": "CC(ano)",
"value": -0.057
},
{
"type": "SigAno",
"value": 0.762
}
]
},
{
"resolution_limits": [3.116,3.002],
"number_observations": 58357,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2213
},
{
"type": "R(meas)",
"value": 0.2420
},
{
"type": "R(pim)",
"value": 0.0965
},
{
"type": "I/SigI",
"value": 6.90
},
{
"type": "CompletenessSpherical",
"value": 99.6
},
{
"type": "CompletenessEllipsoidal",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.33
},
{
"type": "CC(1/2)",
"value": 0.978
},
{
"type": "CompletenessAnoSpherical",
"value": 99.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 3.21
},
{
"type": "CC(ano)",
"value": -0.012
},
{
"type": "SigAno",
"value": 0.756
}
]
},
{
"resolution_limits": [3.002,2.903],
"number_observations": 62962,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2702
},
{
"type": "R(meas)",
"value": 0.2926
},
{
"type": "R(pim)",
"value": 0.1114
},
{
"type": "I/SigI",
"value": 6.03
},
{
"type": "CompletenessSpherical",
"value": 99.5
},
{
"type": "CompletenessEllipsoidal",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.975
},
{
"type": "CompletenessAnoSpherical",
"value": 99.7
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 3.45
},
{
"type": "CC(ano)",
"value": -0.039
},
{
"type": "SigAno",
"value": 0.743
}
]
},
{
"resolution_limits": [2.903,2.815],
"number_observations": 64725,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3454
},
{
"type": "R(meas)",
"value": 0.3728
},
{
"type": "R(pim)",
"value": 0.1395
},
{
"type": "I/SigI",
"value": 4.88
},
{
"type": "CompletenessSpherical",
"value": 99.5
},
{
"type": "CompletenessEllipsoidal",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.965
},
{
"type": "CompletenessAnoSpherical",
"value": 99.7
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 3.55
},
{
"type": "CC(ano)",
"value": -0.015
},
{
"type": "SigAno",
"value": 0.742
}
]
},
{
"resolution_limits": [2.815,2.737],
"number_observations": 65591,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3989
},
{
"type": "R(meas)",
"value": 0.4299
},
{
"type": "R(pim)",
"value": 0.1596
},
{
"type": "I/SigI",
"value": 4.29
},
{
"type": "CompletenessSpherical",
"value": 99.5
},
{
"type": "CompletenessEllipsoidal",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.958
},
{
"type": "CompletenessAnoSpherical",
"value": 99.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 3.60
},
{
"type": "CC(ano)",
"value": 0.003
},
{
"type": "SigAno",
"value": 0.740
}
]
},
{
"resolution_limits": [2.737,2.668],
"number_observations": 66206,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4922
},
{
"type": "R(meas)",
"value": 0.5301
},
{
"type": "R(pim)",
"value": 0.1957
},
{
"type": "I/SigI",
"value": 3.60
},
{
"type": "CompletenessSpherical",
"value": 99.3
},
{
"type": "CompletenessEllipsoidal",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.955
},
{
"type": "CompletenessAnoSpherical",
"value": 99.5
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.5
},
{
"type": "RedundancyAno",
"value": 3.63
},
{
"type": "CC(ano)",
"value": -0.020
},
{
"type": "SigAno",
"value": 0.742
}
]
},
{
"resolution_limits": [2.668,2.604],
"number_observations": 66565,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6000
},
{
"type": "R(meas)",
"value": 0.6460
},
{
"type": "R(pim)",
"value": 0.2383
},
{
"type": "I/SigI",
"value": 3.02
},
{
"type": "CompletenessSpherical",
"value": 99.3
},
{
"type": "CompletenessEllipsoidal",
"value": 99.3
},
{
"type": "Redundancy",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.963
},
{
"type": "CompletenessAnoSpherical",
"value": 99.4
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.4
},
{
"type": "RedundancyAno",
"value": 3.65
},
{
"type": "CC(ano)",
"value": 0.015
},
{
"type": "SigAno",
"value": 0.738
}
]
},
{
"resolution_limits": [2.604,2.546],
"number_observations": 67164,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6709
},
{
"type": "R(meas)",
"value": 0.7213
},
{
"type": "R(pim)",
"value": 0.2641
},
{
"type": "I/SigI",
"value": 2.69
},
{
"type": "CompletenessSpherical",
"value": 99.2
},
{
"type": "CompletenessEllipsoidal",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.28
},
{
"type": "CC(1/2)",
"value": 0.895
},
{
"type": "CompletenessAnoSpherical",
"value": 99.4
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.4
},
{
"type": "RedundancyAno",
"value": 3.68
},
{
"type": "CC(ano)",
"value": -0.020
},
{
"type": "SigAno",
"value": 0.722
}
]
},
{
"resolution_limits": [2.546,2.491],
"number_observations": 67408,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7851
},
{
"type": "R(meas)",
"value": 0.8437
},
{
"type": "R(pim)",
"value": 0.3081
},
{
"type": "I/SigI",
"value": 2.32
},
{
"type": "CompletenessSpherical",
"value": 95.6
},
{
"type": "CompletenessEllipsoidal",
"value": 95.6
},
{
"type": "Redundancy",
"value": 7.31
},
{
"type": "CC(1/2)",
"value": 0.880
},
{
"type": "CompletenessAnoSpherical",
"value": 95.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 95.6
},
{
"type": "RedundancyAno",
"value": 3.69
},
{
"type": "CC(ano)",
"value": -0.010
},
{
"type": "SigAno",
"value": 0.718
}
]
},
{
"resolution_limits": [2.491,2.433],
"number_observations": 67517,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8774
},
{
"type": "R(meas)",
"value": 0.9428
},
{
"type": "R(pim)",
"value": 0.3439
},
{
"type": "I/SigI",
"value": 2.11
},
{
"type": "CompletenessSpherical",
"value": 81.8
},
{
"type": "CompletenessEllipsoidal",
"value": 81.8
},
{
"type": "Redundancy",
"value": 7.32
},
{
"type": "CC(1/2)",
"value": 0.849
},
{
"type": "CompletenessAnoSpherical",
"value": 81.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 81.6
},
{
"type": "RedundancyAno",
"value": 3.70
},
{
"type": "CC(ano)",
"value": -0.010
},
{
"type": "SigAno",
"value": 0.731
}
]
},
{
"resolution_limits": [2.433,2.364],
"number_observations": 68023,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9322
},
{
"type": "R(meas)",
"value": 1.0009
},
{
"type": "R(pim)",
"value": 0.3630
},
{
"type": "I/SigI",
"value": 2.01
},
{
"type": "CompletenessSpherical",
"value": 63.6
},
{
"type": "CompletenessEllipsoidal",
"value": 73.1
},
{
"type": "Redundancy",
"value": 7.38
},
{
"type": "CC(1/2)",
"value": 0.837
},
{
"type": "CompletenessAnoSpherical",
"value": 63.2
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 72.9
},
{
"type": "RedundancyAno",
"value": 3.74
},
{
"type": "CC(ano)",
"value": -0.012
},
{
"type": "SigAno",
"value": 0.723
}
]
},
{
"resolution_limits": [2.364,2.280],
"number_observations": 69657,
"number_observations_unique": 9222,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.0145
},
{
"type": "R(meas)",
"value": 1.0879
},
{
"type": "R(pim)",
"value": 0.3917
},
{
"type": "I/SigI",
"value": 1.94
},
{
"type": "CompletenessSpherical",
"value": 45.2
},
{
"type": "CompletenessEllipsoidal",
"value": 79.3
},
{
"type": "Redundancy",
"value": 7.55
},
{
"type": "CC(1/2)",
"value": 0.799
},
{
"type": "CompletenessAnoSpherical",
"value": 44.7
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 79.3
},
{
"type": "RedundancyAno",
"value": 3.84
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.715
}
]
},
{
"resolution_limits": [2.280,2.062],
"number_observations": 64815,
"number_observations_unique": 9221,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1619
},
{
"type": "R(meas)",
"value": 1.2577
},
{
"type": "R(pim)",
"value": 0.4746
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "CompletenessSpherical",
"value": 13.2
},
{
"type": "CompletenessEllipsoidal",
"value": 65.4
},
{
"type": "Redundancy",
"value": 7.03
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAnoSpherical",
"value": 13.1
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 66.5
},
{
"type": "RedundancyAno",
"value": 3.56
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.742
}
]
}
]
}