Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14e1b28adfe9093c348a2a784f400a2b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 400.97,
"b": 400.97,
"c": 175.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.908,3.130],
"number_observations": 18868280,
"number_observations_unique": 242707,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.439
},
{
"type": "R(meas)",
"value": 2.455
},
{
"type": "I/SigI",
"value": 8.450
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 77.741
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.130],
"number_observations": 531133,
"number_observations_unique": 12722,
"quality_factors": [
{
"type": "R(merge)",
"value": 14.212
},
{
"type": "R(meas)",
"value": 14.369
},
{
"type": "I/SigI",
"value": 0.330
},
{
"type": "Completeness",
"value": 69.700
},
{
"type": "Redundancy",
"value": 41.749
},
{
"type": "CC(1/2)",
"value": 0.220
}
]
},
{
"resolution_limits": [3.290,3.210],
"number_observations": 1165195,
"number_observations_unique": 17283,
"quality_factors": [
{
"type": "R(merge)",
"value": 12.225
},
{
"type": "R(meas)",
"value": 12.315
},
{
"type": "I/SigI",
"value": 0.570
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 67.419
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
},
{
"resolution_limits": [3.390,3.290],
"number_observations": 1387550,
"number_observations_unique": 17313,
"quality_factors": [
{
"type": "R(merge)",
"value": 10.161
},
{
"type": "R(meas)",
"value": 10.224
},
{
"type": "I/SigI",
"value": 0.790
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 80.145
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [3.490,3.390],
"number_observations": 1364156,
"number_observations_unique": 16829,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.660
},
{
"type": "R(meas)",
"value": 8.714
},
{
"type": "I/SigI",
"value": 0.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 81.060
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [3.610,3.490],
"number_observations": 1325300,
"number_observations_unique": 16320,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.080
},
{
"type": "R(meas)",
"value": 7.124
},
{
"type": "I/SigI",
"value": 1.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 81.207
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [3.740,3.610],
"number_observations": 1267001,
"number_observations_unique": 15809,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.445
},
{
"type": "R(meas)",
"value": 5.479
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 80.144
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [3.880,3.740],
"number_observations": 1148348,
"number_observations_unique": 15233,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.264
},
{
"type": "R(meas)",
"value": 4.293
},
{
"type": "I/SigI",
"value": 1.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 75.386
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [4.040,3.880],
"number_observations": 1238484,
"number_observations_unique": 14690,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.026
},
{
"type": "R(meas)",
"value": 3.044
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 84.308
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [4.210,4.040],
"number_observations": 1193350,
"number_observations_unique": 14112,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.260
},
{
"type": "R(meas)",
"value": 2.273
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 84.563
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [4.420,4.210],
"number_observations": 1124992,
"number_observations_unique": 13529,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.750
},
{
"type": "R(meas)",
"value": 1.760
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 83.154
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [4.660,4.420],
"number_observations": 1037928,
"number_observations_unique": 12876,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.354
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 80.610
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.940,4.660],
"number_observations": 948271,
"number_observations_unique": 12110,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.089
},
{
"type": "R(meas)",
"value": 1.096
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 78.305
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.280,4.940],
"number_observations": 969438,
"number_observations_unique": 11505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 11.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 84.262
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.710,5.280],
"number_observations": 888112,
"number_observations_unique": 10690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 13.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 83.079
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.250,5.710],
"number_observations": 784196,
"number_observations_unique": 9922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 15.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 79.036
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.990,6.250],
"number_observations": 730427,
"number_observations_unique": 8864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 20.570
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 82.404
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.070,6.990],
"number_observations": 656560,
"number_observations_unique": 7967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 30.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.410
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.880,8.070],
"number_observations": 505477,
"number_observations_unique": 6713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 37.450
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 75.298
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [13.980,9.880],
"number_observations": 410707,
"number_observations_unique": 5327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 56.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.099
}
]
},
{
"resolution_limits": [39.908,13.980],
"number_observations": 191655,
"number_observations_unique": 2893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 59.440
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 66.248
}
]
}
]
}