Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a72a161951c4882e34bf805fd66d551",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.579,
"b": 64.525,
"c": 80.644,
"alpha": 90.00,
"beta": 104.55,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.8],
"number_observations_unique": 13809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.8],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 81.7
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.62
}
]
}
]
}