Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84dbc4cbccb61e30cbefc4b268a2281b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.655,
"b": 53.900,
"c": 45.514,
"alpha": 90.0,
"beta": 101.7,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.43,1.91],
"number_observations_unique": 15728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 89.2
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.10,1.91],
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.239
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "CC(1/2)",
"value": 0.471
}
]
}
]
}