Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "670ea6540370399e555b9f4e29a90989",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 81.86,
"b": 81.86,
"c": 176.45,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.782,1.810],
"number_observations": 615003,
"number_observations_unique": 60304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 18.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.198
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations_unique": 4455,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.550
},
{
"type": "R(meas)",
"value": 1.627
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.764
},
{
"type": "CC(1/2)",
"value": 0.654
}
]
},
{
"resolution_limits": [1.910,1.860],
"number_observations_unique": 4340,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.078
},
{
"type": "R(meas)",
"value": 1.132
},
{
"type": "I/SigI",
"value": 1.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.689
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [1.960,1.910],
"number_observations_unique": 4220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "I/SigI",
"value": 2.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.568
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations_unique": 4115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.455
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 3968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.420
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.221
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.160,2.090],
"number_observations_unique": 3847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 7.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.360
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.250,2.160],
"number_observations_unique": 3694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 10.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.592
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.340,2.250],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.642
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.440,2.340],
"number_observations_unique": 3417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 17.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.579
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.560,2.440],
"number_observations_unique": 3311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 20.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.479
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.700,2.560],
"number_observations_unique": 3070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 24.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.128
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.860,2.700],
"number_observations_unique": 2971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 27.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.279
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.060,2.860],
"number_observations_unique": 2768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 35.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.460
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.300,3.060],
"number_observations_unique": 2586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 39.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.075
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.620,3.300],
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 42.920
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.501
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.050,3.620],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 43.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.570
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.670,4.050],
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 48.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.622
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.720,4.670],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 49.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.206
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.090,5.720],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.750
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.472
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [65.782,8.090],
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 52.610
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.576
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}