Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b96e43a21e24c582d7d8fdbe1f2a1001",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 52.315,
"b": 98.794,
"c": 102.445,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.59,2.60],
"number_observations": 104515,
"number_observations_unique": 16871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.72,2.60],
"number_observations": 12542,
"number_observations_unique": 1962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(meas)",
"value": 0.889
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
}
]
}