Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bdbdf77109095c24033ce2a16ea58490",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 96.41,
"b": 139.15,
"c": 143.29,
"alpha": 90.0,
"beta": 96.6,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [142.722,2.400],
"number_observations_unique": 142809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.530,2.400],
"number_observations": 49885,
"number_observations_unique": 20000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.680,2.530],
"number_observations": 48312,
"number_observations_unique": 19111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [2.870,2.680],
"number_observations": 46776,
"number_observations_unique": 18258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 44873,
"number_observations_unique": 17214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [3.390,3.100],
"number_observations": 43955,
"number_observations_unique": 16107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [3.790,3.390],
"number_observations": 42078,
"number_observations_unique": 14673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [4.380,3.790],
"number_observations": 37663,
"number_observations_unique": 13073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.370,4.380],
"number_observations": 33876,
"number_observations_unique": 11034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [7.590,5.370],
"number_observations": 30005,
"number_observations_unique": 8568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [47.056,7.590],
"number_observations": 16727,
"number_observations_unique": 4771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}