Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2abbc30a1b20fa4f559e4eb4da1bc1fb",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.60,
"b": 69.55,
"c": 90.94,
"alpha": 107.48,
"beta": 92.26,
"gamma": 106.22
},
"wavelengths": [0.95004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.95,1.96],
"number_observations_unique": 71053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.01,1.96],
"number_observations_unique": 5324,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.244
},
{
"type": "R(pim)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
}
]
}