Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1249b59da04f9282653a61bca9aee1b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 83.845,
"b": 91.372,
"c": 119.591,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99983],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.97,1.820],
"number_observations": 550428,
"number_observations_unique": 82926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 40925,
"number_observations_unique": 6039,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.270
},
{
"type": "R(meas)",
"value": 2.459
},
{
"type": "I/SigI",
"value": 0.890
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.777
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [1.920,1.870],
"number_observations": 39285,
"number_observations_unique": 5879,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.824
},
{
"type": "R(meas)",
"value": 1.978
},
{
"type": "I/SigI",
"value": 1.140
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.682
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [1.970,1.920],
"number_observations": 36689,
"number_observations_unique": 5766,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.370
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "I/SigI",
"value": 1.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.363
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations": 37003,
"number_observations_unique": 5607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.012
},
{
"type": "R(meas)",
"value": 1.099
},
{
"type": "I/SigI",
"value": 2.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.599
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations": 37393,
"number_observations_unique": 5417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.903
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations": 35933,
"number_observations_unique": 5252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.842
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations": 34023,
"number_observations_unique": 5073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.707
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.350,2.260],
"number_observations": 31476,
"number_observations_unique": 4881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.449
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.450,2.350],
"number_observations": 30120,
"number_observations_unique": 4682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 7.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.433
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.570,2.450],
"number_observations": 31281,
"number_observations_unique": 4498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.954
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.710,2.570],
"number_observations": 29475,
"number_observations_unique": 4285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 11.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.879
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.880,2.710],
"number_observations": 27614,
"number_observations_unique": 4063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.796
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.080,2.880],
"number_observations": 24442,
"number_observations_unique": 3826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 17.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.388
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.320,3.080],
"number_observations": 23700,
"number_observations_unique": 3574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.631
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.640,3.320],
"number_observations": 22571,
"number_observations_unique": 3301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 27.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.838
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.070,3.640],
"number_observations": 19737,
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 30.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.608
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.700,4.070],
"number_observations": 16169,
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.069
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.760,4.700],
"number_observations": 15066,
"number_observations_unique": 2282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.602
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.140,5.760],
"number_observations": 11275,
"number_observations_unique": 1792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 33.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.292
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [45.690,8.140],
"number_observations": 6251,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.230
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.908
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}