Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74a6817c19f639378c90ce7dc9c66790",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 134.920,
"b": 160.037,
"c": 165.151,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.400],
"number_observations": 3436417,
"number_observations_unique": 137941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.352
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 24.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 6867,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.178
},
{
"type": "R(meas)",
"value": 2.237
},
{
"type": "R(pim)",
"value": 0.499
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.700
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 6807,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.883
},
{
"type": "R(meas)",
"value": 1.930
},
{
"type": "R(pim)",
"value": 0.414
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.100
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [2.530,2.490],
"number_observations_unique": 6832,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.793
},
{
"type": "R(meas)",
"value": 1.835
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 6836,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.474
},
{
"type": "R(meas)",
"value": 1.508
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.300
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 6812,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.517
},
{
"type": "R(meas)",
"value": 1.551
},
{
"type": "R(pim)",
"value": 0.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 6842,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 23.900
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 6845,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.131
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.900
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 6815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.010
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 23.200
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 6865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.944
},
{
"type": "R(meas)",
"value": 0.962
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.700
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 6855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 0.792
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.900
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 6861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.643
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.900
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 6869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.400,3.260],
"number_observations_unique": 6883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.500
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.580,3.400],
"number_observations_unique": 6907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 25.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 6872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 24.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 6954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.510,4.100],
"number_observations_unique": 6949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.160,4.510],
"number_observations_unique": 6994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 25.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.490,5.160],
"number_observations_unique": 6998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [30.000,6.490],
"number_observations_unique": 7278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}