Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "10fe9b204b85f5fad283fec6fb467ca3",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 85.714,
"b": 86.138,
"c": 89.247,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.30510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.62,1.61],
"number_observations": 3380001,
"number_observations_unique": 84562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 40.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.61],
"number_observations": 145095,
"number_observations_unique": 3978,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.232
},
{
"type": "R(meas)",
"value": 4.291
},
{
"type": "R(pim)",
"value": 0.698
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 36.5
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
}
]
}