Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a9bdad64f3362f924e00453d6db02eb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.970,
"b": 79.656,
"c": 56.017,
"alpha": 90.000,
"beta": 111.303,
"gamma": 90.000
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.79],
"number_observations_unique": 34661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 64.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.79],
"number_observations_unique": 1752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 28.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
}
]
}