Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d8a7ae5074ce0f1168ac7c55bc696e9",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 63.401,
"b": 44.970,
"c": 200.043,
"alpha": 90.0,
"beta": 98.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.898,1.990],
"number_observations_unique": 74800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.990],
"number_observations": 31869,
"number_observations_unique": 9816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.600
},
{
"type": "I/SigI",
"value": 1.30
},
{
"type": "Completeness",
"value": 88.0
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [2.220,2.100],
"number_observations": 32727,
"number_observations_unique": 10400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 1.70
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.380,2.220],
"number_observations": 33255,
"number_observations_unique": 9873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.20
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.570,2.380],
"number_observations": 30801,
"number_observations_unique": 9224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.90
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.810,2.570],
"number_observations": 27043,
"number_observations_unique": 8474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 4.10
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [3.150,2.810],
"number_observations": 25649,
"number_observations_unique": 7675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.40
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [3.630,3.150],
"number_observations": 20445,
"number_observations_unique": 6642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.90
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [4.450,3.630],
"number_observations": 18109,
"number_observations_unique": 5699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.70
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [6.290,4.450],
"number_observations": 13396,
"number_observations_unique": 4445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.60
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [44.970,6.290],
"number_observations": 7717,
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.40
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.0
}
]
}
]
}