Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f31a3a620a6c49453ede91834902a5d4",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 179.268,
"b": 179.268,
"c": 179.268,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.500,1.850],
"number_observations_unique": 21660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations": 47462,
"number_observations_unique": 3115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.070,1.950],
"number_observations": 44707,
"number_observations_unique": 2907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [2.210,2.070],
"number_observations": 42665,
"number_observations_unique": 2751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
}
]
},
{
"resolution_limits": [2.390,2.210],
"number_observations": 39729,
"number_observations_unique": 2589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [2.620,2.390],
"number_observations": 36800,
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
}
]
},
{
"resolution_limits": [2.930,2.620],
"number_observations": 33547,
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [3.380,2.930],
"number_observations": 29826,
"number_observations_unique": 1947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.300
}
]
},
{
"resolution_limits": [4.140,3.380],
"number_observations": 24975,
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [5.850,4.140],
"number_observations": 19447,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.600
}
]
},
{
"resolution_limits": [51.750,5.850],
"number_observations": 10287,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
}
]
}
]
}