Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8c5ffe9607ecc4bb6c1df05f38ff910",
"space_group_name": "H 3",
"unit_cell": {
"a": 80.84,
"b": 80.84,
"c": 33.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.009,1.550],
"number_observations_unique": 10639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 30.2
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 4752,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.70
},
{
"type": "Completeness",
"value": 33.2
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [1.730,1.630],
"number_observations": 4147,
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.10
},
{
"type": "Completeness",
"value": 30.6
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations": 4362,
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 4.90
},
{
"type": "Completeness",
"value": 33.6
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations": 2855,
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 3.50
},
{
"type": "Completeness",
"value": 24.2
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations": 3333,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.30
},
{
"type": "Completeness",
"value": 29.5
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.450,2.190],
"number_observations": 2923,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 3.10
},
{
"type": "Completeness",
"value": 28.9
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.830,2.450],
"number_observations": 2781,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.10
},
{
"type": "Completeness",
"value": 29.9
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [3.470,2.830],
"number_observations": 2463,
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.10
},
{
"type": "Completeness",
"value": 31.6
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [4.900,3.470],
"number_observations": 1712,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.30
},
{
"type": "Completeness",
"value": 27.9
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [15.474,4.900],
"number_observations": 1064,
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.20
},
{
"type": "Completeness",
"value": 32.5
},
{
"type": "Redundancy",
"value": 2.9
}
]
}
]
}