Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "967e8f3180f9df498e0f5d0a7b669b7f",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.482,
"b": 47.661,
"c": 50.733,
"alpha": 66.614,
"beta": 89.437,
"gamma": 88.659
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.565,1.039],
"number_observations_unique": 154027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 80.1
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.103,1.039],
"number_observations_unique": 7703,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.096
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "R(pim)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 24.5
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.513
}
]
}
]
}