Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02ddb2adefae949d3e6d95d278bc24fa",
"space_group_name": "P 61",
"unit_cell": {
"a": 101.332,
"b": 101.332,
"c": 123.553,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.760,1.61],
"number_observations_unique": 92692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.610],
"number_observations": 322867,
"number_observations_unique": 26277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.738
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [87.760,3.600],
"number_observations": 101166,
"number_observations_unique": 8412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
}
]
}