Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd18e1c9bacd730450ce9cf76dcafb38",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.45,
"b": 61.71,
"c": 65.15,
"alpha": 90.00,
"beta": 93.05,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.46,1.39],
"number_observations": 354356,
"number_observations_unique": 57175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.43,1.39],
"number_observations": 17582,
"number_observations_unique": 4016,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.885
},
{
"type": "R(meas)",
"value": 2.142
},
{
"type": "R(pim)",
"value": 1.003
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.379
}
]
}
]
}