Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1097b5d87c070c28d8bc9a7c36230bc",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 111.54,
"b": 111.54,
"c": 130.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,1.25],
"number_observations_unique": 112825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.32,1.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.898
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [1.40,1.32],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100
}
]
},
{
"resolution_limits": [1.49,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 99.99
}
]
},
{
"resolution_limits": [1.61,1.49],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 10.00
},
{
"type": "Completeness",
"value": 99.99
}
]
},
{
"resolution_limits": [1.77,1.61],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 99.99
}
]
},
{
"resolution_limits": [1.98,1.77],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 99.99
}
]
}
]
}