Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ec0eb7fb78db3c209d926852da25e65",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.527,
"b": 53.527,
"c": 45.676,
"alpha": 90.00,
"beta": 100.93,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.72,2.08],
"number_observations_unique": 16314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.13,2.08],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.010
},
{
"type": "R(pim)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
}
]
}