Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b60f2bf94e1007dc6c13fe65b7ca1fc6",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 188.62,
"b": 188.62,
"c": 261.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.990,2.910],
"number_observations_unique": 60691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.369
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.910],
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.733
},
{
"type": "R(meas)",
"value": 1.793
},
{
"type": "I/SigI",
"value": 1.870
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 15.058
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [3.060,2.980],
"number_observations_unique": 4313,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.443
},
{
"type": "R(meas)",
"value": 1.491
},
{
"type": "I/SigI",
"value": 2.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.670
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [3.150,3.060],
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.163
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.649
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [3.250,3.150],
"number_observations_unique": 4089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.652
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [3.360,3.250],
"number_observations_unique": 3962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.642
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [3.470,3.360],
"number_observations_unique": 3828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.600
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations_unique": 3696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 8.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.609
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.750,3.610],
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 9.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.574
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.920,3.750],
"number_observations_unique": 3432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 11.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.528
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.110,3.920],
"number_observations_unique": 3289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 14.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.495
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.330,4.110],
"number_observations_unique": 3132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 17.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.495
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.600,4.330],
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 20.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.409
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.910,4.600],
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 22.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.378
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.310,4.910],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 21.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.271
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.810,5.310],
"number_observations_unique": 2427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.214
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.500,5.810],
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 20.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.094
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.510,6.500],
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 22.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.908
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.190,7.510],
"number_observations_unique": 1687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 31.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.673
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [13.000,9.190],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 43.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.162
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [19.990,13.000],
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 42.350
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 12.348
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}