Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "151fa720c18c5779dcebd1cab430b499",
"space_group_name": "F 2 3",
"unit_cell": {
"a": 169.108,
"b": 169.108,
"c": 169.108,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93927],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.728,2.400],
"number_observations_unique": 15351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations": 5803,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.680,2.530],
"number_observations": 7668,
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.870,2.680],
"number_observations": 7311,
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 6852,
"number_observations_unique": 1914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.390,3.100],
"number_observations": 6280,
"number_observations_unique": 1751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.790,3.390],
"number_observations": 5613,
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.380,3.790],
"number_observations": 5041,
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.370,4.380],
"number_observations": 4179,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [7.590,5.370],
"number_observations": 3161,
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [20.660,7.590],
"number_observations": 1095,
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 70.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}