Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d3b7bfa353a0950d6d37b284dc6fa5c6",
"space_group_name": "P 1",
"unit_cell": {
"a": 51.567,
"b": 51.586,
"c": 72.725,
"alpha": 90.630,
"beta": 90.531,
"gamma": 102.618
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.72,1.95],
"number_observations_unique": 45729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 85.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations_unique": 3531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
}
]
}