Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47da2333f88dfa928b6da0341a3441fc",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 51.039,
"b": 68.512,
"c": 116.685,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.760,1.510],
"number_observations": 158098,
"number_observations_unique": 60513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03972
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.620
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.613
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.510],
"number_observations": 24630,
"number_observations_unique": 9578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.23
},
{
"type": "R(meas)",
"value": 2.638
},
{
"type": "I/SigI",
"value": 0.470
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.572
},
{
"type": "CC(1/2)",
"value": 0.290
}
]
},
{
"resolution_limits": [1.710,1.600],
"number_observations": 23727,
"number_observations_unique": 9281,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(meas)",
"value": 1.383
},
{
"type": "I/SigI",
"value": 0.920
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.557
},
{
"type": "CC(1/2)",
"value": 0.454
}
]
},
{
"resolution_limits": [1.840,1.710],
"number_observations": 22171,
"number_observations_unique": 8656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 1.810
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.561
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [2.020,1.840],
"number_observations": 21817,
"number_observations_unique": 7992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.730
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.260,2.020],
"number_observations": 19015,
"number_observations_unique": 7125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 9.720
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.669
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.610,2.260],
"number_observations": 15598,
"number_observations_unique": 6268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 16.960
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.489
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.190,2.610],
"number_observations": 14630,
"number_observations_unique": 5302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 30.950
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.759
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.500,3.190],
"number_observations": 10251,
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 45.020
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.560
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.760,4.500],
"number_observations": 6259,
"number_observations_unique": 2307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 52.070
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.713
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}