Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e9b3e190c3f6d7847c9fa27afcf4f0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.60,
"b": 149.69,
"c": 79.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.744,1.470],
"number_observations_unique": 52036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 4.25
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.470],
"number_observations": 18114,
"number_observations_unique": 5169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.580,1.520],
"number_observations": 18792,
"number_observations_unique": 5236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.590
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations": 19488,
"number_observations_unique": 5230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.730
}
]
},
{
"resolution_limits": [1.740,1.660],
"number_observations": 20718,
"number_observations_unique": 5252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.940
}
]
},
{
"resolution_limits": [1.850,1.740],
"number_observations": 22580,
"number_observations_unique": 5258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.290
}
]
},
{
"resolution_limits": [1.990,1.850],
"number_observations": 23559,
"number_observations_unique": 5272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.460
}
]
},
{
"resolution_limits": [2.200,1.990],
"number_observations": 24255,
"number_observations_unique": 5246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.510,2.200],
"number_observations": 24632,
"number_observations_unique": 5179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.680
}
]
},
{
"resolution_limits": [3.160,2.510],
"number_observations": 25092,
"number_observations_unique": 5149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.780
}
]
},
{
"resolution_limits": [19.870,3.160],
"number_observations": 25373,
"number_observations_unique": 5045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 4.910
}
]
}
]
}