Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a295e97eb99812d2d5728439fd81bce6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.074,
"b": 70.553,
"c": 108.480,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.553,2.179],
"number_observations": 342602,
"number_observations_unique": 25235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2135
},
{
"type": "R(meas)",
"value": 0.2220
},
{
"type": "R(pim)",
"value": 0.0601
},
{
"type": "I/SigI",
"value": 10.73
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 13.58
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 7.21
},
{
"type": "CC(ano)",
"value": -0.106
},
{
"type": "SigAno",
"value": 0.814
}
]
},
"refln_shells": [
{
"resolution_limits": [70.553,5.913],
"number_observations": 16945,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0686
},
{
"type": "R(meas)",
"value": 0.0719
},
{
"type": "R(pim)",
"value": 0.0208
},
{
"type": "I/SigI",
"value": 26.83
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 12.09
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 7.12
},
{
"type": "CC(ano)",
"value": 0.233
},
{
"type": "SigAno",
"value": 1.016
}
]
},
{
"resolution_limits": [5.913,4.694],
"number_observations": 17580,
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0810
},
{
"type": "R(meas)",
"value": 0.0842
},
{
"type": "R(pim)",
"value": 0.0228
},
{
"type": "I/SigI",
"value": 25.27
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 13.40
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 7.37
},
{
"type": "CC(ano)",
"value": -0.181
},
{
"type": "SigAno",
"value": 0.915
}
]
},
{
"resolution_limits": [4.694,4.101],
"number_observations": 16982,
"number_observations_unique": 1297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0863
},
{
"type": "R(meas)",
"value": 0.0899
},
{
"type": "R(pim)",
"value": 0.0247
},
{
"type": "I/SigI",
"value": 24.58
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 13.09
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 7.13
},
{
"type": "CC(ano)",
"value": -0.336
},
{
"type": "SigAno",
"value": 0.794
}
]
},
{
"resolution_limits": [4.101,3.726],
"number_observations": 17069,
"number_observations_unique": 1286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1000
},
{
"type": "R(meas)",
"value": 0.1040
},
{
"type": "R(pim)",
"value": 0.0284
},
{
"type": "I/SigI",
"value": 22.08
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 13.27
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 7.14
},
{
"type": "CC(ano)",
"value": -0.260
},
{
"type": "SigAno",
"value": 0.783
}
]
},
{
"resolution_limits": [3.726,3.459],
"number_observations": 16793,
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1309
},
{
"type": "R(meas)",
"value": 0.1363
},
{
"type": "R(pim)",
"value": 0.0376
},
{
"type": "I/SigI",
"value": 18.00
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 13.11
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 7.01
},
{
"type": "CC(ano)",
"value": -0.257
},
{
"type": "SigAno",
"value": 0.808
}
]
},
{
"resolution_limits": [3.459,3.255],
"number_observations": 17013,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1843
},
{
"type": "R(meas)",
"value": 0.1917
},
{
"type": "R(pim)",
"value": 0.0520
},
{
"type": "I/SigI",
"value": 14.77
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 13.49
},
{
"type": "CC(1/2)",
"value": 0.988
},
{
"type": "CompletenessAno",
"value": 99.5
},
{
"type": "RedundancyAno",
"value": 7.17
},
{
"type": "CC(ano)",
"value": -0.180
},
{
"type": "SigAno",
"value": 0.824
}
]
},
{
"resolution_limits": [3.255,3.092],
"number_observations": 17201,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2449
},
{
"type": "R(meas)",
"value": 0.2546
},
{
"type": "R(pim)",
"value": 0.0689
},
{
"type": "I/SigI",
"value": 12.17
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 13.58
},
{
"type": "CC(1/2)",
"value": 0.984
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 7.20
},
{
"type": "CC(ano)",
"value": -0.102
},
{
"type": "SigAno",
"value": 0.845
}
]
},
{
"resolution_limits": [3.092,2.957],
"number_observations": 17176,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2904
},
{
"type": "R(meas)",
"value": 0.3018
},
{
"type": "R(pim)",
"value": 0.0812
},
{
"type": "I/SigI",
"value": 10.77
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 13.73
},
{
"type": "CC(1/2)",
"value": 0.983
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 7.24
},
{
"type": "CC(ano)",
"value": -0.149
},
{
"type": "SigAno",
"value": 0.825
}
]
},
{
"resolution_limits": [2.957,2.843],
"number_observations": 17300,
"number_observations_unique": 1253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3760
},
{
"type": "R(meas)",
"value": 0.3908
},
{
"type": "R(pim)",
"value": 0.1053
},
{
"type": "I/SigI",
"value": 8.96
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 13.81
},
{
"type": "CC(1/2)",
"value": 0.977
},
{
"type": "CompletenessAno",
"value": 99.3
},
{
"type": "RedundancyAno",
"value": 7.29
},
{
"type": "CC(ano)",
"value": 0.018
},
{
"type": "SigAno",
"value": 0.822
}
]
},
{
"resolution_limits": [2.843,2.745],
"number_observations": 17351,
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4341
},
{
"type": "R(meas)",
"value": 0.4510
},
{
"type": "R(pim)",
"value": 0.1209
},
{
"type": "I/SigI",
"value": 8.09
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 13.88
},
{
"type": "CC(1/2)",
"value": 0.962
},
{
"type": "CompletenessAno",
"value": 98.9
},
{
"type": "RedundancyAno",
"value": 7.32
},
{
"type": "CC(ano)",
"value": -0.041
},
{
"type": "SigAno",
"value": 0.832
}
]
},
{
"resolution_limits": [2.745,2.659],
"number_observations": 17530,
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5988
},
{
"type": "R(meas)",
"value": 0.6215
},
{
"type": "R(pim)",
"value": 0.1651
},
{
"type": "I/SigI",
"value": 6.25
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 14.07
},
{
"type": "CC(1/2)",
"value": 0.938
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 7.38
},
{
"type": "CC(ano)",
"value": -0.012
},
{
"type": "SigAno",
"value": 0.793
}
]
},
{
"resolution_limits": [2.659,2.583],
"number_observations": 17565,
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6356
},
{
"type": "R(meas)",
"value": 0.6597
},
{
"type": "R(pim)",
"value": 0.1750
},
{
"type": "I/SigI",
"value": 5.96
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 14.10
},
{
"type": "CC(1/2)",
"value": 0.933
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 7.41
},
{
"type": "CC(ano)",
"value": 0.030
},
{
"type": "SigAno",
"value": 0.800
}
]
},
{
"resolution_limits": [2.583,2.515],
"number_observations": 17695,
"number_observations_unique": 1250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7961
},
{
"type": "R(meas)",
"value": 0.8261
},
{
"type": "R(pim)",
"value": 0.2189
},
{
"type": "I/SigI",
"value": 4.98
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 14.16
},
{
"type": "CC(1/2)",
"value": 0.893
},
{
"type": "CompletenessAno",
"value": 98.9
},
{
"type": "RedundancyAno",
"value": 7.41
},
{
"type": "CC(ano)",
"value": 0.019
},
{
"type": "SigAno",
"value": 0.804
}
]
},
{
"resolution_limits": [2.515,2.454],
"number_observations": 17487,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8850
},
{
"type": "R(meas)",
"value": 0.9181
},
{
"type": "R(pim)",
"value": 0.2426
},
{
"type": "I/SigI",
"value": 4.38
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 14.23
},
{
"type": "CC(1/2)",
"value": 0.869
},
{
"type": "CompletenessAno",
"value": 98.8
},
{
"type": "RedundancyAno",
"value": 7.44
},
{
"type": "CC(ano)",
"value": -0.017
},
{
"type": "SigAno",
"value": 0.774
}
]
},
{
"resolution_limits": [2.454,2.398],
"number_observations": 17119,
"number_observations_unique": 1232,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.0300
},
{
"type": "R(meas)",
"value": 1.0694
},
{
"type": "R(pim)",
"value": 0.2849
},
{
"type": "I/SigI",
"value": 3.75
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 13.90
},
{
"type": "CC(1/2)",
"value": 0.844
},
{
"type": "CompletenessAno",
"value": 98.8
},
{
"type": "RedundancyAno",
"value": 7.27
},
{
"type": "CC(ano)",
"value": -0.048
},
{
"type": "SigAno",
"value": 0.775
}
]
},
{
"resolution_limits": [2.398,2.347],
"number_observations": 16969,
"number_observations_unique": 1245,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1530
},
{
"type": "R(meas)",
"value": 1.1980
},
{
"type": "R(pim)",
"value": 0.3224
},
{
"type": "I/SigI",
"value": 3.34
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 13.63
},
{
"type": "CC(1/2)",
"value": 0.823
},
{
"type": "CompletenessAno",
"value": 98.3
},
{
"type": "RedundancyAno",
"value": 7.15
},
{
"type": "CC(ano)",
"value": 0.011
},
{
"type": "SigAno",
"value": 0.787
}
]
},
{
"resolution_limits": [2.347,2.300],
"number_observations": 15978,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.2687
},
{
"type": "R(meas)",
"value": 1.3205
},
{
"type": "R(pim)",
"value": 0.3620
},
{
"type": "I/SigI",
"value": 2.97
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 13.12
},
{
"type": "CC(1/2)",
"value": 0.762
},
{
"type": "CompletenessAno",
"value": 98.4
},
{
"type": "RedundancyAno",
"value": 6.83
},
{
"type": "CC(ano)",
"value": -0.016
},
{
"type": "SigAno",
"value": 0.785
}
]
},
{
"resolution_limits": [2.300,2.257],
"number_observations": 16932,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.5361
},
{
"type": "R(meas)",
"value": 1.5963
},
{
"type": "R(pim)",
"value": 0.4314
},
{
"type": "I/SigI",
"value": 2.62
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 13.52
},
{
"type": "CC(1/2)",
"value": 0.701
},
{
"type": "CompletenessAno",
"value": 98.5
},
{
"type": "RedundancyAno",
"value": 7.05
},
{
"type": "CC(ano)",
"value": 0.027
},
{
"type": "SigAno",
"value": 0.758
}
]
},
{
"resolution_limits": [2.257,2.216],
"number_observations": 16636,
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.7586
},
{
"type": "R(meas)",
"value": 1.8262
},
{
"type": "R(pim)",
"value": 0.4889
},
{
"type": "I/SigI",
"value": 2.26
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 13.78
},
{
"type": "CC(1/2)",
"value": 0.695
},
{
"type": "CompletenessAno",
"value": 98.2
},
{
"type": "RedundancyAno",
"value": 7.15
},
{
"type": "CC(ano)",
"value": 0.017
},
{
"type": "SigAno",
"value": 0.802
}
]
},
{
"resolution_limits": [2.216,2.179],
"number_observations": 17281,
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.8098
},
{
"type": "R(meas)",
"value": 1.8795
},
{
"type": "R(pim)",
"value": 0.5029
},
{
"type": "I/SigI",
"value": 2.20
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 13.81
},
{
"type": "CC(1/2)",
"value": 0.680
},
{
"type": "CompletenessAno",
"value": 98.6
},
{
"type": "RedundancyAno",
"value": 7.19
},
{
"type": "CC(ano)",
"value": -0.012
},
{
"type": "SigAno",
"value": 0.774
}
]
}
]
}