Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44c6d476b412ba48a738e347989546fc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.91,
"b": 57.15,
"c": 65.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.120,1.160],
"number_observations_unique": 129363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 7.910
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.563
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.160],
"number_observations_unique": 4374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.778
},
{
"type": "R(meas)",
"value": 1.020
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 43.100
},
{
"type": "Redundancy",
"value": 1.658
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [1.220,1.190],
"number_observations_unique": 9047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "R(meas)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 2.546
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations_unique": 9466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.185
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [1.290,1.260],
"number_observations_unique": 9321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.647
},
{
"type": "I/SigI",
"value": 2.320
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.637
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations_unique": 8922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 2.91
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.791
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [1.380,1.340],
"number_observations_unique": 8761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.804
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.440,1.380],
"number_observations_unique": 8347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.815
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [1.490,1.440],
"number_observations_unique": 8073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.814
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [1.560,1.490],
"number_observations_unique": 7736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.825
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.640,1.560],
"number_observations_unique": 7459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 7.340
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.826
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [1.730,1.640],
"number_observations_unique": 6983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 8.530
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.793
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.830,1.730],
"number_observations_unique": 6649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 10.230
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.853
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.960,1.830],
"number_observations_unique": 6188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 12.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.865
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.110,1.960],
"number_observations_unique": 5808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.777
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations_unique": 5327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 16.510
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.733
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.590,2.310],
"number_observations_unique": 4819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 17.760
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.578
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.990,2.590],
"number_observations_unique": 4204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 18.620
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.357
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.660,2.990],
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.730
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.735
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.180,3.660],
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 25.150
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.799
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [43.120,5.180],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.630
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.657
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}