Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55edf197d59d5dbc2838975f344fb8fb",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 116.311,
"b": 116.311,
"c": 116.311,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.100],
"number_observations_unique": 30946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.773
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 1548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 1566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 1594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [40.000,5.700],
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.100
}
]
}
]
}