Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71b99d70eddaa62c008510f03fc8ece5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.486,
"b": 36.492,
"c": 87.452,
"alpha": 90.000,
"beta": 97.298,
"gamma": 90.000
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.49,1.475],
"number_observations_unique": 55941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.5,1.475],
"number_observations_unique": 2567,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
}
]
}