Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50e6c6b0f52a345c188e2fce74c2f7d0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.77,
"b": 53.69,
"c": 84.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.725,1.650],
"number_observations_unique": 29484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.676
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 2.830
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.729
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [1.740,1.690],
"number_observations_unique": 2081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 3.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.715
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.704
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 1978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 4.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.730
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.910,1.840],
"number_observations_unique": 1909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 5.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.724
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.970,1.910],
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 8.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.719
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.727
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 11.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.733
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.220,2.130],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.706
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.330,2.220],
"number_observations_unique": 1593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.716
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.460,2.330],
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.716
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.610,2.460],
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 20.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.712
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.790,2.610],
"number_observations_unique": 1366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.686
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.010,2.790],
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 26.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.661
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.300,3.010],
"number_observations_unique": 1179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.664
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.690,3.300],
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.614
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.260,3.690],
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 36.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.550
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.220,4.260],
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 37.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.485
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.380,5.220],
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 34.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.331
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.725,7.380],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.769
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}