Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1bdaeaf7c998adcd3dabb63e5386ca37",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.17,
"b": 63.48,
"c": 74.00,
"alpha": 78.73,
"beta": 88.48,
"gamma": 89.93
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.598,2.650],
"number_observations_unique": 17677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.650],
"number_observations": 8583,
"number_observations_unique": 2313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 72.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.960,2.790],
"number_observations": 9062,
"number_observations_unique": 2425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.170,2.960],
"number_observations": 9402,
"number_observations_unique": 2491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations": 8410,
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.750,3.420],
"number_observations": 7638,
"number_observations_unique": 2015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 82.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.190,3.750],
"number_observations": 5615,
"number_observations_unique": 1516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 68.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.840,4.190],
"number_observations": 6397,
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.930,4.840],
"number_observations": 5229,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [8.380,5.930],
"number_observations": 3540,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 72.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [52.598,8.380],
"number_observations": 2463,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}