Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0059c6bcde8c4670d4fb586c3bb94e6e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.28,
"b": 76.12,
"c": 168.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.260,1.350],
"number_observations": 3781691,
"number_observations_unique": 131672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.721
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.350],
"number_observations": 262618,
"number_observations_unique": 9612,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.534
},
{
"type": "R(meas)",
"value": 4.618
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.322
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [1.420,1.390],
"number_observations": 261555,
"number_observations_unique": 9372,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.308
},
{
"type": "R(meas)",
"value": 3.368
},
{
"type": "I/SigI",
"value": 1.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.908
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [1.460,1.420],
"number_observations": 267938,
"number_observations_unique": 9147,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.507
},
{
"type": "R(meas)",
"value": 2.550
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.292
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [1.510,1.460],
"number_observations": 257009,
"number_observations_unique": 8866,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.748
},
{
"type": "R(meas)",
"value": 1.778
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.988
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations": 244848,
"number_observations_unique": 8617,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.303
},
{
"type": "R(meas)",
"value": 1.326
},
{
"type": "I/SigI",
"value": 4.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.415
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [1.610,1.560],
"number_observations": 231989,
"number_observations_unique": 8331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 0.996
},
{
"type": "I/SigI",
"value": 5.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.846
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 226571,
"number_observations_unique": 8036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "I/SigI",
"value": 6.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.194
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 231429,
"number_observations_unique": 7763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.812
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.820,1.740],
"number_observations": 220820,
"number_observations_unique": 7470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 11.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.561
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.910,1.820],
"number_observations": 207486,
"number_observations_unique": 7125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 15.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.121
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.010,1.910],
"number_observations": 192131,
"number_observations_unique": 6817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.184
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.130,2.010],
"number_observations": 184092,
"number_observations_unique": 6417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 24.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.688
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.280,2.130],
"number_observations": 184660,
"number_observations_unique": 6061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 28.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.467
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.460,2.280],
"number_observations": 170438,
"number_observations_unique": 5687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 31.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.970
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.700,2.460],
"number_observations": 148977,
"number_observations_unique": 5231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 34.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.480
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.020,2.700],
"number_observations": 133498,
"number_observations_unique": 4741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.158
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.490,3.020],
"number_observations": 125848,
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 43.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.751
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.270,3.490],
"number_observations": 106623,
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 46.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.389
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.040,4.270],
"number_observations": 76864,
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 45.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.103
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.260,6.040],
"number_observations": 46297,
"number_observations_unique": 1685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 46.210
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 27.476
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}