Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d80fa6dcf30ec2e10a7a67549c9cc492",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.524,
"b": 36.524,
"c": 141.988,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75000,4.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.52,1.04],
"number_observations_unique": 85622,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 10.18
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.65
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.10,1.04],
"number_observations_unique": 11714,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 63.6
},
{
"type": "CC(1/2)",
"value": 0.17
}
]
},
{
"resolution_limits": [1.80,1.77],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 63.1
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.95,2.90],
"number_observations_unique": 70,
"quality_factors": [
{
"type": "CC(1/2)",
"value": 0.99
}
]
}
]
}