Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "83e296bf29e175bc8f9e2d0491e97b1c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 99.49,
"b": 93.16,
"c": 51.25,
"alpha": 90.00,
"beta": 93.44,
"gamma": 90.00
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.945,1.469],
"number_observations": 524619,
"number_observations_unique": 76859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0641
},
{
"type": "R(meas)",
"value": 0.0694
},
{
"type": "R(pim)",
"value": 0.0264
},
{
"type": "I/SigI",
"value": 13.26
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAno",
"value": 96.8
},
{
"type": "RedundancyAno",
"value": 3.46
},
{
"type": "CC(ano)",
"value": -0.162
},
{
"type": "SigAno",
"value": 0.770
}
]
},
"refln_shells": [
{
"resolution_limits": [67.945,3.986],
"number_observations": 26974,
"number_observations_unique": 4017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0357
},
{
"type": "R(meas)",
"value": 0.0387
},
{
"type": "R(pim)",
"value": 0.0146
},
{
"type": "I/SigI",
"value": 39.50
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAno",
"value": 99.5
},
{
"type": "RedundancyAno",
"value": 3.48
},
{
"type": "CC(ano)",
"value": -0.150
},
{
"type": "SigAno",
"value": 0.615
}
]
},
{
"resolution_limits": [3.986,3.164],
"number_observations": 26419,
"number_observations_unique": 3836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0395
},
{
"type": "R(meas)",
"value": 0.0426
},
{
"type": "R(pim)",
"value": 0.0159
},
{
"type": "I/SigI",
"value": 37.62
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 6.89
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAno",
"value": 95.0
},
{
"type": "RedundancyAno",
"value": 3.52
},
{
"type": "CC(ano)",
"value": -0.272
},
{
"type": "SigAno",
"value": 0.646
}
]
},
{
"resolution_limits": [3.164,2.764],
"number_observations": 24948,
"number_observations_unique": 3964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0510
},
{
"type": "R(meas)",
"value": 0.0556
},
{
"type": "R(pim)",
"value": 0.0219
},
{
"type": "I/SigI",
"value": 29.31
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.29
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAno",
"value": 99.0
},
{
"type": "RedundancyAno",
"value": 3.21
},
{
"type": "CC(ano)",
"value": -0.132
},
{
"type": "SigAno",
"value": 0.760
}
]
},
{
"resolution_limits": [2.764,2.511],
"number_observations": 26162,
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0626
},
{
"type": "R(meas)",
"value": 0.0679
},
{
"type": "R(pim)",
"value": 0.0261
},
{
"type": "I/SigI",
"value": 25.54
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAno",
"value": 98.6
},
{
"type": "RedundancyAno",
"value": 3.38
},
{
"type": "CC(ano)",
"value": -0.084
},
{
"type": "SigAno",
"value": 0.818
}
]
},
{
"resolution_limits": [2.511,2.331],
"number_observations": 23586,
"number_observations_unique": 3951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0721
},
{
"type": "R(meas)",
"value": 0.0791
},
{
"type": "R(pim)",
"value": 0.0321
},
{
"type": "I/SigI",
"value": 21.68
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.97
},
{
"type": "CC(1/2)",
"value": 0.996
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 3.02
},
{
"type": "CC(ano)",
"value": 0.010
},
{
"type": "SigAno",
"value": 0.875
}
]
},
{
"resolution_limits": [2.331,2.194],
"number_observations": 20174,
"number_observations_unique": 3159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0830
},
{
"type": "R(meas)",
"value": 0.0903
},
{
"type": "R(pim)",
"value": 0.0353
},
{
"type": "I/SigI",
"value": 19.72
},
{
"type": "Completeness",
"value": 79.6
},
{
"type": "Redundancy",
"value": 6.39
},
{
"type": "CC(1/2)",
"value": 0.996
},
{
"type": "CompletenessAno",
"value": 78.7
},
{
"type": "RedundancyAno",
"value": 3.26
},
{
"type": "CC(ano)",
"value": -0.094
},
{
"type": "SigAno",
"value": 0.838
}
]
},
{
"resolution_limits": [2.194,2.084],
"number_observations": 26679,
"number_observations_unique": 3938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0979
},
{
"type": "R(meas)",
"value": 0.1061
},
{
"type": "R(pim)",
"value": 0.0406
},
{
"type": "I/SigI",
"value": 17.52
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 3.43
},
{
"type": "CC(ano)",
"value": -0.103
},
{
"type": "SigAno",
"value": 0.829
}
]
},
{
"resolution_limits": [2.084,1.993],
"number_observations": 27223,
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1215
},
{
"type": "R(meas)",
"value": 0.1314
},
{
"type": "R(pim)",
"value": 0.0498
},
{
"type": "I/SigI",
"value": 14.52
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 99.4
},
{
"type": "RedundancyAno",
"value": 3.49
},
{
"type": "CC(ano)",
"value": -0.072
},
{
"type": "SigAno",
"value": 0.837
}
]
},
{
"resolution_limits": [1.993,1.917],
"number_observations": 24579,
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1588
},
{
"type": "R(meas)",
"value": 0.1715
},
{
"type": "R(pim)",
"value": 0.0643
},
{
"type": "I/SigI",
"value": 11.40
},
{
"type": "Completeness",
"value": 87.7
},
{
"type": "Redundancy",
"value": 7.03
},
{
"type": "CC(1/2)",
"value": 0.990
},
{
"type": "CompletenessAno",
"value": 87.7
},
{
"type": "RedundancyAno",
"value": 3.55
},
{
"type": "CC(ano)",
"value": -0.033
},
{
"type": "SigAno",
"value": 0.821
}
]
},
{
"resolution_limits": [1.917,1.850],
"number_observations": 24978,
"number_observations_unique": 3629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2022
},
{
"type": "R(meas)",
"value": 0.2184
},
{
"type": "R(pim)",
"value": 0.0820
},
{
"type": "I/SigI",
"value": 9.11
},
{
"type": "Completeness",
"value": 92.3
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.982
},
{
"type": "CompletenessAno",
"value": 90.9
},
{
"type": "RedundancyAno",
"value": 3.52
},
{
"type": "CC(ano)",
"value": -0.019
},
{
"type": "SigAno",
"value": 0.810
}
]
},
{
"resolution_limits": [1.850,1.793],
"number_observations": 27860,
"number_observations_unique": 3900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2540
},
{
"type": "R(meas)",
"value": 0.2739
},
{
"type": "R(pim)",
"value": 0.1019
},
{
"type": "I/SigI",
"value": 7.64
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.14
},
{
"type": "CC(1/2)",
"value": 0.975
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 3.60
},
{
"type": "CC(ano)",
"value": -0.043
},
{
"type": "SigAno",
"value": 0.790
}
]
},
{
"resolution_limits": [1.793,1.741],
"number_observations": 28135,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3037
},
{
"type": "R(meas)",
"value": 0.3273
},
{
"type": "R(pim)",
"value": 0.1213
},
{
"type": "I/SigI",
"value": 6.51
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 7.18
},
{
"type": "CC(1/2)",
"value": 0.965
},
{
"type": "CompletenessAno",
"value": 99.0
},
{
"type": "RedundancyAno",
"value": 3.62
},
{
"type": "CC(ano)",
"value": -0.014
},
{
"type": "SigAno",
"value": 0.797
}
]
},
{
"resolution_limits": [1.741,1.695],
"number_observations": 28333,
"number_observations_unique": 3922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3901
},
{
"type": "R(meas)",
"value": 0.4202
},
{
"type": "R(pim)",
"value": 0.1552
},
{
"type": "I/SigI",
"value": 5.15
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.947
},
{
"type": "CompletenessAno",
"value": 99.0
},
{
"type": "RedundancyAno",
"value": 3.64
},
{
"type": "CC(ano)",
"value": -0.065
},
{
"type": "SigAno",
"value": 0.763
}
]
},
{
"resolution_limits": [1.695,1.654],
"number_observations": 28350,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4829
},
{
"type": "R(meas)",
"value": 0.5199
},
{
"type": "R(pim)",
"value": 0.1916
},
{
"type": "I/SigI",
"value": 4.21
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 7.24
},
{
"type": "CC(1/2)",
"value": 0.917
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 3.65
},
{
"type": "CC(ano)",
"value": -0.011
},
{
"type": "SigAno",
"value": 0.761
}
]
},
{
"resolution_limits": [1.654,1.617],
"number_observations": 27999,
"number_observations_unique": 3920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5542
},
{
"type": "R(meas)",
"value": 0.5972
},
{
"type": "R(pim)",
"value": 0.2211
},
{
"type": "I/SigI",
"value": 3.71
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.14
},
{
"type": "CC(1/2)",
"value": 0.887
},
{
"type": "CompletenessAno",
"value": 98.8
},
{
"type": "RedundancyAno",
"value": 3.60
},
{
"type": "CC(ano)",
"value": -0.026
},
{
"type": "SigAno",
"value": 0.740
}
]
},
{
"resolution_limits": [1.617,1.582],
"number_observations": 25042,
"number_observations_unique": 3863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6164
},
{
"type": "R(meas)",
"value": 0.6703
},
{
"type": "R(pim)",
"value": 0.2606
},
{
"type": "I/SigI",
"value": 3.07
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.48
},
{
"type": "CC(1/2)",
"value": 0.854
},
{
"type": "CompletenessAno",
"value": 98.5
},
{
"type": "RedundancyAno",
"value": 3.27
},
{
"type": "CC(ano)",
"value": -0.023
},
{
"type": "SigAno",
"value": 0.743
}
]
},
{
"resolution_limits": [1.582,1.550],
"number_observations": 25829,
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7548
},
{
"type": "R(meas)",
"value": 0.8187
},
{
"type": "R(pim)",
"value": 0.3146
},
{
"type": "I/SigI",
"value": 2.62
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.801
},
{
"type": "CompletenessAno",
"value": 98.5
},
{
"type": "RedundancyAno",
"value": 3.35
},
{
"type": "CC(ano)",
"value": -0.002
},
{
"type": "SigAno",
"value": 0.745
}
]
},
{
"resolution_limits": [1.550,1.521],
"number_observations": 26879,
"number_observations_unique": 3891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8733
},
{
"type": "R(meas)",
"value": 0.9439
},
{
"type": "R(pim)",
"value": 0.3559
},
{
"type": "I/SigI",
"value": 2.30
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.769
},
{
"type": "CompletenessAno",
"value": 98.5
},
{
"type": "RedundancyAno",
"value": 3.48
},
{
"type": "CC(ano)",
"value": -0.018
},
{
"type": "SigAno",
"value": 0.748
}
]
},
{
"resolution_limits": [1.521,1.494],
"number_observations": 27322,
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9815
},
{
"type": "R(meas)",
"value": 1.0600
},
{
"type": "R(pim)",
"value": 0.3978
},
{
"type": "I/SigI",
"value": 2.00
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 6.99
},
{
"type": "CC(1/2)",
"value": 0.741
},
{
"type": "CompletenessAno",
"value": 98.3
},
{
"type": "RedundancyAno",
"value": 3.52
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.742
}
]
},
{
"resolution_limits": [1.494,1.469],
"number_observations": 27148,
"number_observations_unique": 3858,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.1640
},
{
"type": "R(meas)",
"value": 1.2561
},
{
"type": "R(pim)",
"value": 0.4690
},
{
"type": "I/SigI",
"value": 1.69
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.657
},
{
"type": "CompletenessAno",
"value": 98.3
},
{
"type": "RedundancyAno",
"value": 3.54
},
{
"type": "CC(ano)",
"value": -0.020
},
{
"type": "SigAno",
"value": 0.743
}
]
}
]
}