Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b8540ae06be1eeb7a5ced690b395f43",
"space_group_name": "H 3",
"unit_cell": {
"a": 114.212,
"b": 114.212,
"c": 83.688,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000,2.15000,4.89000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.58,1.03],
"number_observations_unique": 201251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
"refln_shells": [
{
"resolution_limits": [1.05,1.03],
"number_observations_unique": 9887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [1.59,1.50],
"number_observations_unique": 9495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
}
]
}