Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a12ea786857df5ec7daac0eb08a29d41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.097,
"b": 89.154,
"c": 84.187,
"alpha": 90.00,
"beta": 115.49,
"gamma": 90.00
},
"wavelengths": [0.97550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.89,1.95],
"number_observations_unique": 70867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,1.95],
"number_observations": 49418,
"number_observations_unique": 10236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [2.18,2.06],
"number_observations": 44606,
"number_observations_unique": 9681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 4.60
}
]
},
{
"resolution_limits": [2.33,2.18],
"number_observations": 36803,
"number_observations_unique": 9101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.52,2.33],
"number_observations": 38051,
"number_observations_unique": 8558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [2.76,2.52],
"number_observations": 33890,
"number_observations_unique": 7884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.08,2.76],
"number_observations": 29695,
"number_observations_unique": 7164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [3.56,3.08],
"number_observations": 24857,
"number_observations_unique": 6322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [4.36,3.56],
"number_observations": 18546,
"number_observations_unique": 5381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [6.17,4.36],
"number_observations": 17520,
"number_observations_unique": 4195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [66.89,6.17],
"number_observations": 9765,
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 4.20
}
]
}
]
}